------------------------------------------------------- ----------Bimolecular Optimal Coordinates-------------- ------------------------------------------------------- Benzenesulfonamides Ana & Giro JChemInfMod 2005, 45, 321 ASA basis set: Huzinaga ASA Kind: 3 Number of Molecules : 29 ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 2-*- 2 (2)4-Methyl-benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 8.11007909745 -8.556435899195E-18 -0.100897097935 6 2.86329951331 -2.922536611154E-18 -7.349736953064E-02 6 6.80777063774 -2.26567639154 -0.121232299609 6 6.80777063774 2.26567639154 -0.121232299609 6 4.19897121896 2.25839811190 -9.895828809266E-02 6 4.19897121896 -2.25839811190 -9.895828809266E-02 1 7.83682406515 -4.00573551491 -0.201208431763 1 7.83682406515 4.00573551491 -0.201208431763 1 3.19435364603 4.01778780932 -0.125815986880 1 3.19435364603 -4.01778780932 -0.125815986880 16 11.4059109298 -1.222287901647E-17 -6.903234852523E-02 8 12.2226557176 2.36966347735 -1.09351831769 8 12.2226557176 -2.36966347735 -1.09351831769 7 12.1903871090 -2.070990068685E-17 2.87084462677 1 12.5792272181 -1.62848573258 3.74230825804 1 12.5792272181 1.62848573258 3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 -4.336273740756E-18 1.94437378897 1 -0.758564487207 1.65923610975 -0.927043031519 1 -0.758564487207 -1.65923610975 -0.927043031519 ------------------------------------------------ 6 5.04401540573 5.065785560124E-17 -8.565768416162E-02 6 9.27990108396 9.396277336371E-17 2.94283641892 6 6.11045552513 2.27247789332 0.644730598780 6 6.11045552513 -2.27247789332 0.644730598780 6 8.22908048709 -2.26870089799 2.17155776959 6 8.22908048709 2.26870089799 2.17155776959 1 5.30807717985 4.00751998316 -1.696942951703E-02 1 5.30807717985 -4.00751998316 -1.696942951703E-02 1 9.06580730279 -4.02284755065 2.73828333892 1 9.06580730279 4.02284755065 2.73828333892 1 10.9268739609 1.108006638944E-16 4.12165702328 16 2.32566022845 2.288454205577E-17 -1.95862643609 8 2.24799399215 -2.36940193927 -3.26556451771 8 2.24799399215 2.36940193927 -3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 1.62837329388 0.493096431600 1 -0.817594738155 -1.62837329388 0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 9.49515614095 1.986230634504E-17 0.330909318726 6 4.54766506655 -1.418482302241E-17 -1.41449070261 6 8.25938767444 2.26624765571 -7.914581718090E-02 6 8.25938767444 -2.26624765571 -7.914581718090E-02 6 5.80247435955 -2.25843288285 -0.956589914867 6 5.80247435955 2.25843288285 -0.956589914867 1 9.20891937494 4.00630432243 0.325801090800 1 9.20891937494 -4.00630432243 0.325801090800 1 4.84800788582 -4.01788928760 -1.27432519389 1 4.84800788582 4.01788928760 -1.27432519389 16 12.6215076530 4.047871219384E-17 1.37421975164 8 13.0597966465 -2.36964987132 2.60912294465 8 13.0597966465 2.36964987132 2.60912294465 7 14.3219760733 5.129921083899E-18 -1.14895839935 1 14.9723537348 1.62851785792 -1.84712919698 1 14.9723537348 -1.62851785792 -1.84712919698 6 1.82011448549 -3.162508651201E-17 -2.28845439361 1 1.46450096442 -1.65231782291 -3.44535547264 1 1.46450096442 1.65231782291 -3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 -1.65855864299 1.15861699465 1 0.312880607522 1.65855864299 1.15861699465 1 -1.95068478995 -1.250653597013E-17 -0.627272661168 ------------------------------------------------ 6 5.04401540573 5.065785560124E-17 -8.565768416162E-02 6 9.27990108396 9.396277336371E-17 2.94283641892 6 6.11045552513 2.27247789332 0.644730598780 6 6.11045552513 -2.27247789332 0.644730598780 6 8.22908048709 -2.26870089799 2.17155776959 6 8.22908048709 2.26870089799 2.17155776959 1 5.30807717985 4.00751998316 -1.696942951703E-02 1 5.30807717985 -4.00751998316 -1.696942951703E-02 1 9.06580730279 -4.02284755065 2.73828333892 1 9.06580730279 4.02284755065 2.73828333892 1 10.9268739609 1.108006638944E-16 4.12165702328 16 2.32566022845 2.288454205577E-17 -1.95862643609 8 2.24799399215 -2.36940193927 -3.26556451771 8 2.24799399215 2.36940193927 -3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 1.62837329388 0.493096431600 1 -0.817594738155 -1.62837329388 0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 9.49515614095 1.986230634504E-17 0.330909318726 6 4.54766506655 -1.418482302241E-17 -1.41449070261 6 8.25938767444 2.26624765571 -7.914581718090E-02 6 8.25938767444 -2.26624765571 -7.914581718090E-02 6 5.80247435955 -2.25843288285 -0.956589914867 6 5.80247435955 2.25843288285 -0.956589914867 1 9.20891937494 4.00630432243 0.325801090800 1 9.20891937494 -4.00630432243 0.325801090800 1 4.84800788582 -4.01788928760 -1.27432519389 1 4.84800788582 4.01788928760 -1.27432519389 16 12.6215076530 4.047871219384E-17 1.37421975164 8 13.0597966465 -2.36964987132 2.60912294465 8 13.0597966465 2.36964987132 2.60912294465 7 14.3219760733 5.129921083899E-18 -1.14895839935 1 14.9723537348 1.62851785792 -1.84712919698 1 14.9723537348 -1.62851785792 -1.84712919698 6 1.82011448549 -3.162508651201E-17 -2.28845439361 1 1.46450096442 -1.65231782291 -3.44535547264 1 1.46450096442 1.65231782291 -3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 -1.65855864299 1.15861699465 1 0.312880607522 1.65855864299 1.15861699465 1 -1.95068478995 -1.250653597013E-17 -0.627272661168 ------------------------------------------------ 6 8.11007909745 8.556435899195E-18 0.100897097935 6 2.86329951331 2.922536611154E-18 7.349736953064E-02 6 6.80777063774 2.26567639154 0.121232299609 6 6.80777063774 -2.26567639154 0.121232299609 6 4.19897121896 -2.25839811190 9.895828809266E-02 6 4.19897121896 2.25839811190 9.895828809266E-02 1 7.83682406515 4.00573551491 0.201208431763 1 7.83682406515 -4.00573551491 0.201208431763 1 3.19435364603 -4.01778780932 0.125815986880 1 3.19435364603 4.01778780932 0.125815986880 16 11.4059109298 1.222287901647E-17 6.903234852523E-02 8 12.2226557176 -2.36966347735 1.09351831769 8 12.2226557176 2.36966347735 1.09351831769 7 12.1903871090 2.070990068685E-17 -2.87084462677 1 12.5792272181 1.62848573258 -3.74230825804 1 12.5792272181 -1.62848573258 -3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 4.336273740756E-18 -1.94437378897 1 -0.758564487207 -1.65923610975 0.927043031519 1 -0.758564487207 1.65923610975 0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 12.3462848294 8.276065163872E-20 0.219629035968 6 7.27697590475 -1.666425406161E-18 -1.13352461031 6 11.0821729337 2.26629036351 -9.228879249722E-02 6 11.0821729337 -2.26629036351 -9.228879249722E-02 6 8.56408820998 -2.25853587292 -0.774654122839 6 8.56408820998 2.25853587292 -0.774654122839 1 12.0604999845 4.00629846428 0.237334526856 1 12.0604999845 -4.00629846428 0.237334526856 1 7.58747623906 -4.01782409206 -1.01660875510 1 7.58747623906 4.01782409206 -1.01660875510 16 15.5446672699 1.106855929460E-18 1.01482146618 8 16.0785895276 -2.36961755701 2.21160547802 8 16.0785895276 2.36961755701 2.21160547802 7 17.0423265084 -2.516184840979E-18 -1.63372129060 1 17.6356158799 1.62852220429 -2.38095755132 1 17.6356158799 -1.62852220429 -2.38095755132 6 4.48973225005 -2.504801715792E-18 -1.78668016231 1 4.03784923022 -1.65364233185 -2.91036104922 1 4.03784923022 1.65364233185 -2.91036104922 6 2.84178543494 8.061817684800E-19 0.630150435706 1 3.30689183592 -1.64977444070 1.75284818480 1 3.30689183592 1.64977444070 1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 -1.66081705451 -1.09295879416 1 -1.12447528227 2.345093436379E-18 1.71233470070 1 -0.500643208584 1.66081705451 -1.09295879416 ------------------------------------------------ 6 5.04401540573 5.065785560124E-17 -8.565768416162E-02 6 9.27990108396 9.396277336371E-17 2.94283641892 6 6.11045552513 2.27247789332 0.644730598780 6 6.11045552513 -2.27247789332 0.644730598780 6 8.22908048709 -2.26870089799 2.17155776959 6 8.22908048709 2.26870089799 2.17155776959 1 5.30807717985 4.00751998316 -1.696942951703E-02 1 5.30807717985 -4.00751998316 -1.696942951703E-02 1 9.06580730279 -4.02284755065 2.73828333892 1 9.06580730279 4.02284755065 2.73828333892 1 10.9268739609 1.108006638944E-16 4.12165702328 16 2.32566022845 2.288454205577E-17 -1.95862643609 8 2.24799399215 -2.36940193927 -3.26556451771 8 2.24799399215 2.36940193927 -3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 1.62837329388 0.493096431600 1 -0.817594738155 -1.62837329388 0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 12.3462848294 8.276065163872E-20 0.219629035968 6 7.27697590475 -1.666425406161E-18 -1.13352461031 6 11.0821729337 2.26629036351 -9.228879249722E-02 6 11.0821729337 -2.26629036351 -9.228879249722E-02 6 8.56408820998 -2.25853587292 -0.774654122839 6 8.56408820998 2.25853587292 -0.774654122839 1 12.0604999845 4.00629846428 0.237334526856 1 12.0604999845 -4.00629846428 0.237334526856 1 7.58747623906 -4.01782409206 -1.01660875510 1 7.58747623906 4.01782409206 -1.01660875510 16 15.5446672699 1.106855929460E-18 1.01482146618 8 16.0785895276 -2.36961755701 2.21160547802 8 16.0785895276 2.36961755701 2.21160547802 7 17.0423265084 -2.516184840979E-18 -1.63372129060 1 17.6356158799 1.62852220429 -2.38095755132 1 17.6356158799 -1.62852220429 -2.38095755132 6 4.48973225005 -2.504801715792E-18 -1.78668016231 1 4.03784923022 -1.65364233185 -2.91036104922 1 4.03784923022 1.65364233185 -2.91036104922 6 2.84178543494 8.061817684800E-19 0.630150435706 1 3.30689183592 -1.64977444070 1.75284818480 1 3.30689183592 1.64977444070 1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 -1.66081705451 -1.09295879416 1 -1.12447528227 2.345093436379E-18 1.71233470070 1 -0.500643208584 1.66081705451 -1.09295879416 ------------------------------------------------ 6 8.11007909745 -8.556435899195E-18 -0.100897097935 6 2.86329951331 -2.922536611154E-18 -7.349736953064E-02 6 6.80777063774 -2.26567639154 -0.121232299609 6 6.80777063774 2.26567639154 -0.121232299609 6 4.19897121896 2.25839811190 -9.895828809266E-02 6 4.19897121896 -2.25839811190 -9.895828809266E-02 1 7.83682406515 -4.00573551491 -0.201208431763 1 7.83682406515 4.00573551491 -0.201208431763 1 3.19435364603 4.01778780932 -0.125815986880 1 3.19435364603 -4.01778780932 -0.125815986880 16 11.4059109298 -1.222287901647E-17 -6.903234852523E-02 8 12.2226557176 2.36966347735 -1.09351831769 8 12.2226557176 -2.36966347735 -1.09351831769 7 12.1903871090 -2.070990068685E-17 2.87084462677 1 12.5792272181 -1.62848573258 3.74230825804 1 12.5792272181 1.62848573258 3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 -4.336273740756E-18 1.94437378897 1 -0.758564487207 1.65923610975 -0.927043031519 1 -0.758564487207 -1.65923610975 -0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 12.3462848294 8.276065163872E-20 0.219629035968 6 7.27697590475 -1.666425406161E-18 -1.13352461031 6 11.0821729337 2.26629036351 -9.228879249722E-02 6 11.0821729337 -2.26629036351 -9.228879249722E-02 6 8.56408820998 -2.25853587292 -0.774654122839 6 8.56408820998 2.25853587292 -0.774654122839 1 12.0604999845 4.00629846428 0.237334526856 1 12.0604999845 -4.00629846428 0.237334526856 1 7.58747623906 -4.01782409206 -1.01660875510 1 7.58747623906 4.01782409206 -1.01660875510 16 15.5446672699 1.106855929460E-18 1.01482146618 8 16.0785895276 -2.36961755701 2.21160547802 8 16.0785895276 2.36961755701 2.21160547802 7 17.0423265084 -2.516184840979E-18 -1.63372129060 1 17.6356158799 1.62852220429 -2.38095755132 1 17.6356158799 -1.62852220429 -2.38095755132 6 4.48973225005 -2.504801715792E-18 -1.78668016231 1 4.03784923022 -1.65364233185 -2.91036104922 1 4.03784923022 1.65364233185 -2.91036104922 6 2.84178543494 8.061817684800E-19 0.630150435706 1 3.30689183592 -1.64977444070 1.75284818480 1 3.30689183592 1.64977444070 1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 -1.66081705451 -1.09295879416 1 -1.12447528227 2.345093436379E-18 1.71233470070 1 -0.500643208584 1.66081705451 -1.09295879416 ------------------------------------------------ 6 9.49515614095 1.986230634504E-17 0.330909318726 6 4.54766506655 -1.418482302241E-17 -1.41449070261 6 8.25938767444 2.26624765571 -7.914581718090E-02 6 8.25938767444 -2.26624765571 -7.914581718090E-02 6 5.80247435955 -2.25843288285 -0.956589914867 6 5.80247435955 2.25843288285 -0.956589914867 1 9.20891937494 4.00630432243 0.325801090800 1 9.20891937494 -4.00630432243 0.325801090800 1 4.84800788582 -4.01788928760 -1.27432519389 1 4.84800788582 4.01788928760 -1.27432519389 16 12.6215076530 4.047871219384E-17 1.37421975164 8 13.0597966465 -2.36964987132 2.60912294465 8 13.0597966465 2.36964987132 2.60912294465 7 14.3219760733 5.129921083899E-18 -1.14895839935 1 14.9723537348 1.62851785792 -1.84712919698 1 14.9723537348 -1.62851785792 -1.84712919698 6 1.82011448549 -3.162508651201E-17 -2.28845439361 1 1.46450096442 -1.65231782291 -3.44535547264 1 1.46450096442 1.65231782291 -3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 -1.65855864299 1.15861699465 1 0.312880607522 1.65855864299 1.15861699465 1 -1.95068478995 -1.250653597013E-17 -0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 14.1238159113 -1.214503673567E-17 0.678437661017 6 9.44100667607 -7.329180195868E-17 -1.68836769331 6 12.9508759688 2.26624992338 0.112955994743 6 12.9508759688 -2.26624992338 0.112955994743 6 10.6269754875 -2.25848844080 -1.07270695836 6 10.6269754875 2.25848844080 -1.07270695836 1 13.8404298349 4.00630337757 0.636723693997 1 13.8404298349 -4.00630337757 0.636723693997 1 9.72086351835 -4.01774604637 -1.51016368205 1 9.72086351835 4.01774604637 -1.51016368205 16 17.0896510524 2.469474469544E-17 2.11542048055 8 17.3657436482 -2.36962001365 3.39654871916 8 17.3657436482 2.36962001365 3.39654871916 7 19.1011870389 -4.944166890890E-17 -0.167534197609 1 19.8356986120 1.62853921182 -0.776447021723 1 19.8356986120 -1.62853921182 -0.776447021723 6 6.84711615725 -1.041405701228E-16 -2.90008400935 1 6.63682781461 1.65387609096 -4.09248466188 1 6.63682781461 -1.65387609096 -4.09248466188 6 4.74105840551 -3.748430357849E-17 -0.870168924938 1 4.96583213621 1.65095665328 0.325145161310 1 4.96583213621 -1.65095665328 0.325145161310 6 2.07671001580 -6.693452376398E-17 -2.04129882743 1 1.86017810411 1.65244972578 -3.23844110052 1 1.86017810411 -1.65244972578 -3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 1.66008648645 1.19157111842 1 -1.86482588637 -2.150045959666E-17 -0.848869041688 1 0.161115980412 -1.66008648645 1.19157111842 ------------------------------------------------ 6 5.04401540573 5.065785560124E-17 -8.565768416162E-02 6 9.27990108396 9.396277336371E-17 2.94283641892 6 6.11045552513 2.27247789332 0.644730598780 6 6.11045552513 -2.27247789332 0.644730598780 6 8.22908048709 -2.26870089799 2.17155776959 6 8.22908048709 2.26870089799 2.17155776959 1 5.30807717985 4.00751998316 -1.696942951703E-02 1 5.30807717985 -4.00751998316 -1.696942951703E-02 1 9.06580730279 -4.02284755065 2.73828333892 1 9.06580730279 4.02284755065 2.73828333892 1 10.9268739609 1.108006638944E-16 4.12165702328 16 2.32566022845 2.288454205577E-17 -1.95862643609 8 2.24799399215 -2.36940193927 -3.26556451771 8 2.24799399215 2.36940193927 -3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 1.62837329388 0.493096431600 1 -0.817594738155 -1.62837329388 0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 14.1238159113 -1.214503673567E-17 0.678437661017 6 9.44100667607 -7.329180195868E-17 -1.68836769331 6 12.9508759688 2.26624992338 0.112955994743 6 12.9508759688 -2.26624992338 0.112955994743 6 10.6269754875 -2.25848844080 -1.07270695836 6 10.6269754875 2.25848844080 -1.07270695836 1 13.8404298349 4.00630337757 0.636723693997 1 13.8404298349 -4.00630337757 0.636723693997 1 9.72086351835 -4.01774604637 -1.51016368205 1 9.72086351835 4.01774604637 -1.51016368205 16 17.0896510524 2.469474469544E-17 2.11542048055 8 17.3657436482 -2.36962001365 3.39654871916 8 17.3657436482 2.36962001365 3.39654871916 7 19.1011870389 -4.944166890890E-17 -0.167534197609 1 19.8356986120 1.62853921182 -0.776447021723 1 19.8356986120 -1.62853921182 -0.776447021723 6 6.84711615725 -1.041405701228E-16 -2.90008400935 1 6.63682781461 1.65387609096 -4.09248466188 1 6.63682781461 -1.65387609096 -4.09248466188 6 4.74105840551 -3.748430357849E-17 -0.870168924938 1 4.96583213621 1.65095665328 0.325145161310 1 4.96583213621 -1.65095665328 0.325145161310 6 2.07671001580 -6.693452376398E-17 -2.04129882743 1 1.86017810411 1.65244972578 -3.23844110052 1 1.86017810411 -1.65244972578 -3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 1.66008648645 1.19157111842 1 -1.86482588637 -2.150045959666E-17 -0.848869041688 1 0.161115980412 -1.66008648645 1.19157111842 ------------------------------------------------ 6 8.11007909745 -8.556435899195E-18 -0.100897097935 6 2.86329951331 -2.922536611154E-18 -7.349736953064E-02 6 6.80777063774 -2.26567639154 -0.121232299609 6 6.80777063774 2.26567639154 -0.121232299609 6 4.19897121896 2.25839811190 -9.895828809266E-02 6 4.19897121896 -2.25839811190 -9.895828809266E-02 1 7.83682406515 -4.00573551491 -0.201208431763 1 7.83682406515 4.00573551491 -0.201208431763 1 3.19435364603 4.01778780932 -0.125815986880 1 3.19435364603 -4.01778780932 -0.125815986880 16 11.4059109298 -1.222287901647E-17 -6.903234852523E-02 8 12.2226557176 2.36966347735 -1.09351831769 8 12.2226557176 -2.36966347735 -1.09351831769 7 12.1903871090 -2.070990068685E-17 2.87084462677 1 12.5792272181 -1.62848573258 3.74230825804 1 12.5792272181 1.62848573258 3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 -4.336273740756E-18 1.94437378897 1 -0.758564487207 1.65923610975 -0.927043031519 1 -0.758564487207 -1.65923610975 -0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 14.1238159113 -1.214503673567E-17 0.678437661017 6 9.44100667607 -7.329180195868E-17 -1.68836769331 6 12.9508759688 2.26624992338 0.112955994743 6 12.9508759688 -2.26624992338 0.112955994743 6 10.6269754875 -2.25848844080 -1.07270695836 6 10.6269754875 2.25848844080 -1.07270695836 1 13.8404298349 4.00630337757 0.636723693997 1 13.8404298349 -4.00630337757 0.636723693997 1 9.72086351835 -4.01774604637 -1.51016368205 1 9.72086351835 4.01774604637 -1.51016368205 16 17.0896510524 2.469474469544E-17 2.11542048055 8 17.3657436482 -2.36962001365 3.39654871916 8 17.3657436482 2.36962001365 3.39654871916 7 19.1011870389 -4.944166890890E-17 -0.167534197609 1 19.8356986120 1.62853921182 -0.776447021723 1 19.8356986120 -1.62853921182 -0.776447021723 6 6.84711615725 -1.041405701228E-16 -2.90008400935 1 6.63682781461 1.65387609096 -4.09248466188 1 6.63682781461 -1.65387609096 -4.09248466188 6 4.74105840551 -3.748430357849E-17 -0.870168924938 1 4.96583213621 1.65095665328 0.325145161310 1 4.96583213621 -1.65095665328 0.325145161310 6 2.07671001580 -6.693452376398E-17 -2.04129882743 1 1.86017810411 1.65244972578 -3.23844110052 1 1.86017810411 -1.65244972578 -3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 1.66008648645 1.19157111842 1 -1.86482588637 -2.150045959666E-17 -0.848869041688 1 0.161115980412 -1.66008648645 1.19157111842 ------------------------------------------------ 6 9.49515614095 1.986230634504E-17 0.330909318726 6 4.54766506655 -1.418482302241E-17 -1.41449070261 6 8.25938767444 2.26624765571 -7.914581718090E-02 6 8.25938767444 -2.26624765571 -7.914581718090E-02 6 5.80247435955 -2.25843288285 -0.956589914867 6 5.80247435955 2.25843288285 -0.956589914867 1 9.20891937494 4.00630432243 0.325801090800 1 9.20891937494 -4.00630432243 0.325801090800 1 4.84800788582 -4.01788928760 -1.27432519389 1 4.84800788582 4.01788928760 -1.27432519389 16 12.6215076530 4.047871219384E-17 1.37421975164 8 13.0597966465 -2.36964987132 2.60912294465 8 13.0597966465 2.36964987132 2.60912294465 7 14.3219760733 5.129921083899E-18 -1.14895839935 1 14.9723537348 1.62851785792 -1.84712919698 1 14.9723537348 -1.62851785792 -1.84712919698 6 1.82011448549 -3.162508651201E-17 -2.28845439361 1 1.46450096442 -1.65231782291 -3.44535547264 1 1.46450096442 1.65231782291 -3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 -1.65855864299 1.15861699465 1 0.312880607522 1.65855864299 1.15861699465 1 -1.95068478995 -1.250653597013E-17 -0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 14.1238159113 -1.214503673567E-17 0.678437661017 6 9.44100667607 -7.329180195868E-17 -1.68836769331 6 12.9508759688 2.26624992338 0.112955994743 6 12.9508759688 -2.26624992338 0.112955994743 6 10.6269754875 -2.25848844080 -1.07270695836 6 10.6269754875 2.25848844080 -1.07270695836 1 13.8404298349 4.00630337757 0.636723693997 1 13.8404298349 -4.00630337757 0.636723693997 1 9.72086351835 -4.01774604637 -1.51016368205 1 9.72086351835 4.01774604637 -1.51016368205 16 17.0896510524 2.469474469544E-17 2.11542048055 8 17.3657436482 -2.36962001365 3.39654871916 8 17.3657436482 2.36962001365 3.39654871916 7 19.1011870389 -4.944166890890E-17 -0.167534197609 1 19.8356986120 1.62853921182 -0.776447021723 1 19.8356986120 -1.62853921182 -0.776447021723 6 6.84711615725 -1.041405701228E-16 -2.90008400935 1 6.63682781461 1.65387609096 -4.09248466188 1 6.63682781461 -1.65387609096 -4.09248466188 6 4.74105840551 -3.748430357849E-17 -0.870168924938 1 4.96583213621 1.65095665328 0.325145161310 1 4.96583213621 -1.65095665328 0.325145161310 6 2.07671001580 -6.693452376398E-17 -2.04129882743 1 1.86017810411 1.65244972578 -3.23844110052 1 1.86017810411 -1.65244972578 -3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 1.66008648645 1.19157111842 1 -1.86482588637 -2.150045959666E-17 -0.848869041688 1 0.161115980412 -1.66008648645 1.19157111842 ------------------------------------------------ 6 12.3462848294 8.276065163872E-20 0.219629035968 6 7.27697590475 -1.666425406161E-18 -1.13352461031 6 11.0821729337 2.26629036351 -9.228879249722E-02 6 11.0821729337 -2.26629036351 -9.228879249722E-02 6 8.56408820998 -2.25853587292 -0.774654122839 6 8.56408820998 2.25853587292 -0.774654122839 1 12.0604999845 4.00629846428 0.237334526856 1 12.0604999845 -4.00629846428 0.237334526856 1 7.58747623906 -4.01782409206 -1.01660875510 1 7.58747623906 4.01782409206 -1.01660875510 16 15.5446672699 1.106855929460E-18 1.01482146618 8 16.0785895276 -2.36961755701 2.21160547802 8 16.0785895276 2.36961755701 2.21160547802 7 17.0423265084 -2.516184840979E-18 -1.63372129060 1 17.6356158799 1.62852220429 -2.38095755132 1 17.6356158799 -1.62852220429 -2.38095755132 6 4.48973225005 -2.504801715792E-18 -1.78668016231 1 4.03784923022 -1.65364233185 -2.91036104922 1 4.03784923022 1.65364233185 -2.91036104922 6 2.84178543494 8.061817684800E-19 0.630150435706 1 3.30689183592 -1.64977444070 1.75284818480 1 3.30689183592 1.64977444070 1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 -1.66081705451 -1.09295879416 1 -1.12447528227 2.345093436379E-18 1.71233470070 1 -0.500643208584 1.66081705451 -1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 6-*- 6 (6)4-Am-Benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 16.9068057473 -0.243177970445 1.059325119563E-16 6 12.0155875324 1.65600530852 7.874007219591E-16 6 15.7028346951 0.252939874960 2.26622819153 6 15.7028346951 0.252939874960 -2.26622819153 6 13.2672687790 1.18799231963 -2.25851621977 6 13.2672687790 1.18799231963 2.25851621977 1 16.6905927723 -4.935959543974E-02 4.00587781127 1 16.6905927723 -4.935959543974E-02 -4.00587781127 1 12.3418929399 1.58361797677 -4.01758126227 1 12.3418929399 1.58361797677 4.01758126227 16 19.9613139677 -1.48061075670 -3.396565444380E-16 8 21.0975033451 -0.827628604396 -2.36965497358 8 21.0975033451 -0.827628604396 2.36965497358 7 19.6140817394 -4.50363661503 -1.520890767875E-15 1 19.6563448244 -5.45686048237 1.62850009449 1 19.6563448244 -5.45686048237 -1.62850009449 6 9.31463490683 2.60509907624 1.124910972962E-15 1 8.98767928251 3.77103356608 1.65353820795 1 8.98767928251 3.77103356608 -1.65353820795 6 7.41754404250 0.378508099205 2.354035425308E-16 1 7.75886683358 -0.788097380015 1.65185162751 1 7.75886683358 -0.788097380015 -1.65185162751 6 4.65268631611 1.28701345345 5.563510498846E-16 1 4.32004736793 2.45842354097 1.65339251008 1 4.32004736793 2.45842354097 -1.65339251008 6 2.76072678768 -0.925807775628 -3.277337893163E-16 1 3.09073708924 -2.09665994535 1.65204135600 1 3.09073708924 -2.09665994535 -1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 1.14184653845 1.66034613480 1 -1.30590878374 -1.57901648689 -6.303379891292E-16 1 -0.377248445559 1.14184653845 -1.66034613480 ------------------------------------------------ 6 5.04401540573 5.065785560124E-17 -8.565768416162E-02 6 9.27990108396 9.396277336371E-17 2.94283641892 6 6.11045552513 2.27247789332 0.644730598780 6 6.11045552513 -2.27247789332 0.644730598780 6 8.22908048709 -2.26870089799 2.17155776959 6 8.22908048709 2.26870089799 2.17155776959 1 5.30807717985 4.00751998316 -1.696942951703E-02 1 5.30807717985 -4.00751998316 -1.696942951703E-02 1 9.06580730279 -4.02284755065 2.73828333892 1 9.06580730279 4.02284755065 2.73828333892 1 10.9268739609 1.108006638944E-16 4.12165702328 16 2.32566022845 2.288454205577E-17 -1.95862643609 8 2.24799399215 -2.36940193927 -3.26556451771 8 2.24799399215 2.36940193927 -3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 1.62837329388 0.493096431600 1 -0.817594738155 -1.62837329388 0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 6-*- 6 (6)4-Am-Benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 16.9068057473 -0.243177970445 1.059325119563E-16 6 12.0155875324 1.65600530852 7.874007219591E-16 6 15.7028346951 0.252939874960 2.26622819153 6 15.7028346951 0.252939874960 -2.26622819153 6 13.2672687790 1.18799231963 -2.25851621977 6 13.2672687790 1.18799231963 2.25851621977 1 16.6905927723 -4.935959543974E-02 4.00587781127 1 16.6905927723 -4.935959543974E-02 -4.00587781127 1 12.3418929399 1.58361797677 -4.01758126227 1 12.3418929399 1.58361797677 4.01758126227 16 19.9613139677 -1.48061075670 -3.396565444380E-16 8 21.0975033451 -0.827628604396 -2.36965497358 8 21.0975033451 -0.827628604396 2.36965497358 7 19.6140817394 -4.50363661503 -1.520890767875E-15 1 19.6563448244 -5.45686048237 1.62850009449 1 19.6563448244 -5.45686048237 -1.62850009449 6 9.31463490683 2.60509907624 1.124910972962E-15 1 8.98767928251 3.77103356608 1.65353820795 1 8.98767928251 3.77103356608 -1.65353820795 6 7.41754404250 0.378508099205 2.354035425308E-16 1 7.75886683358 -0.788097380015 1.65185162751 1 7.75886683358 -0.788097380015 -1.65185162751 6 4.65268631611 1.28701345345 5.563510498846E-16 1 4.32004736793 2.45842354097 1.65339251008 1 4.32004736793 2.45842354097 -1.65339251008 6 2.76072678768 -0.925807775628 -3.277337893163E-16 1 3.09073708924 -2.09665994535 1.65204135600 1 3.09073708924 -2.09665994535 -1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 1.14184653845 1.66034613480 1 -1.30590878374 -1.57901648689 -6.303379891292E-16 1 -0.377248445559 1.14184653845 -1.66034613480 ------------------------------------------------ 6 8.11007909745 8.556435899195E-18 0.100897097935 6 2.86329951331 2.922536611154E-18 7.349736953064E-02 6 6.80777063774 2.26567639154 0.121232299609 6 6.80777063774 -2.26567639154 0.121232299609 6 4.19897121896 -2.25839811190 9.895828809266E-02 6 4.19897121896 2.25839811190 9.895828809266E-02 1 7.83682406515 4.00573551491 0.201208431763 1 7.83682406515 -4.00573551491 0.201208431763 1 3.19435364603 -4.01778780932 0.125815986880 1 3.19435364603 4.01778780932 0.125815986880 16 11.4059109298 1.222287901647E-17 6.903234852523E-02 8 12.2226557176 -2.36966347735 1.09351831769 8 12.2226557176 2.36966347735 1.09351831769 7 12.1903871090 2.070990068685E-17 -2.87084462677 1 12.5792272181 1.62848573258 -3.74230825804 1 12.5792272181 -1.62848573258 -3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 4.336273740756E-18 -1.94437378897 1 -0.758564487207 -1.65923610975 0.927043031519 1 -0.758564487207 1.65923610975 0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 6-*- 6 (6)4-Am-Benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 16.9068057473 -0.243177970445 1.059325119563E-16 6 12.0155875324 1.65600530852 7.874007219591E-16 6 15.7028346951 0.252939874960 2.26622819153 6 15.7028346951 0.252939874960 -2.26622819153 6 13.2672687790 1.18799231963 -2.25851621977 6 13.2672687790 1.18799231963 2.25851621977 1 16.6905927723 -4.935959543974E-02 4.00587781127 1 16.6905927723 -4.935959543974E-02 -4.00587781127 1 12.3418929399 1.58361797677 -4.01758126227 1 12.3418929399 1.58361797677 4.01758126227 16 19.9613139677 -1.48061075670 -3.396565444380E-16 8 21.0975033451 -0.827628604396 -2.36965497358 8 21.0975033451 -0.827628604396 2.36965497358 7 19.6140817394 -4.50363661503 -1.520890767875E-15 1 19.6563448244 -5.45686048237 1.62850009449 1 19.6563448244 -5.45686048237 -1.62850009449 6 9.31463490683 2.60509907624 1.124910972962E-15 1 8.98767928251 3.77103356608 1.65353820795 1 8.98767928251 3.77103356608 -1.65353820795 6 7.41754404250 0.378508099205 2.354035425308E-16 1 7.75886683358 -0.788097380015 1.65185162751 1 7.75886683358 -0.788097380015 -1.65185162751 6 4.65268631611 1.28701345345 5.563510498846E-16 1 4.32004736793 2.45842354097 1.65339251008 1 4.32004736793 2.45842354097 -1.65339251008 6 2.76072678768 -0.925807775628 -3.277337893163E-16 1 3.09073708924 -2.09665994535 1.65204135600 1 3.09073708924 -2.09665994535 -1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 1.14184653845 1.66034613480 1 -1.30590878374 -1.57901648689 -6.303379891292E-16 1 -0.377248445559 1.14184653845 -1.66034613480 ------------------------------------------------ 6 9.49515614095 1.986230634504E-17 0.330909318726 6 4.54766506655 -1.418482302241E-17 -1.41449070261 6 8.25938767444 2.26624765571 -7.914581718090E-02 6 8.25938767444 -2.26624765571 -7.914581718090E-02 6 5.80247435955 -2.25843288285 -0.956589914867 6 5.80247435955 2.25843288285 -0.956589914867 1 9.20891937494 4.00630432243 0.325801090800 1 9.20891937494 -4.00630432243 0.325801090800 1 4.84800788582 -4.01788928760 -1.27432519389 1 4.84800788582 4.01788928760 -1.27432519389 16 12.6215076530 4.047871219384E-17 1.37421975164 8 13.0597966465 -2.36964987132 2.60912294465 8 13.0597966465 2.36964987132 2.60912294465 7 14.3219760733 5.129921083899E-18 -1.14895839935 1 14.9723537348 1.62851785792 -1.84712919698 1 14.9723537348 -1.62851785792 -1.84712919698 6 1.82011448549 -3.162508651201E-17 -2.28845439361 1 1.46450096442 -1.65231782291 -3.44535547264 1 1.46450096442 1.65231782291 -3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 -1.65855864299 1.15861699465 1 0.312880607522 1.65855864299 1.15861699465 1 -1.95068478995 -1.250653597013E-17 -0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 6-*- 6 (6)4-Am-Benzenesulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 16.9068057473 -0.243177970445 1.059325119563E-16 6 12.0155875324 1.65600530852 7.874007219591E-16 6 15.7028346951 0.252939874960 2.26622819153 6 15.7028346951 0.252939874960 -2.26622819153 6 13.2672687790 1.18799231963 -2.25851621977 6 13.2672687790 1.18799231963 2.25851621977 1 16.6905927723 -4.935959543974E-02 4.00587781127 1 16.6905927723 -4.935959543974E-02 -4.00587781127 1 12.3418929399 1.58361797677 -4.01758126227 1 12.3418929399 1.58361797677 4.01758126227 16 19.9613139677 -1.48061075670 -3.396565444380E-16 8 21.0975033451 -0.827628604396 -2.36965497358 8 21.0975033451 -0.827628604396 2.36965497358 7 19.6140817394 -4.50363661503 -1.520890767875E-15 1 19.6563448244 -5.45686048237 1.62850009449 1 19.6563448244 -5.45686048237 -1.62850009449 6 9.31463490683 2.60509907624 1.124910972962E-15 1 8.98767928251 3.77103356608 1.65353820795 1 8.98767928251 3.77103356608 -1.65353820795 6 7.41754404250 0.378508099205 2.354035425308E-16 1 7.75886683358 -0.788097380015 1.65185162751 1 7.75886683358 -0.788097380015 -1.65185162751 6 4.65268631611 1.28701345345 5.563510498846E-16 1 4.32004736793 2.45842354097 1.65339251008 1 4.32004736793 2.45842354097 -1.65339251008 6 2.76072678768 -0.925807775628 -3.277337893163E-16 1 3.09073708924 -2.09665994535 1.65204135600 1 3.09073708924 -2.09665994535 -1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 1.14184653845 1.66034613480 1 -1.30590878374 -1.57901648689 -6.303379891292E-16 1 -0.377248445559 1.14184653845 -1.66034613480 ------------------------------------------------ 6 12.3462848294 -8.276065163872E-20 -0.219629035968 6 7.27697590475 1.666425406161E-18 1.13352461031 6 11.0821729337 -2.26629036351 9.228879249722E-02 6 11.0821729337 2.26629036351 9.228879249722E-02 6 8.56408820998 2.25853587292 0.774654122839 6 8.56408820998 -2.25853587292 0.774654122839 1 12.0604999845 -4.00629846428 -0.237334526856 1 12.0604999845 4.00629846428 -0.237334526856 1 7.58747623906 4.01782409206 1.01660875510 1 7.58747623906 -4.01782409206 1.01660875510 16 15.5446672699 -1.106855929460E-18 -1.01482146618 8 16.0785895276 2.36961755701 -2.21160547802 8 16.0785895276 -2.36961755701 -2.21160547802 7 17.0423265084 2.516184840979E-18 1.63372129060 1 17.6356158799 -1.62852220429 2.38095755132 1 17.6356158799 1.62852220429 2.38095755132 6 4.48973225005 2.504801715792E-18 1.78668016231 1 4.03784923022 1.65364233185 2.91036104922 1 4.03784923022 -1.65364233185 2.91036104922 6 2.84178543494 -8.061817684800E-19 -0.630150435706 1 3.30689183592 1.64977444070 -1.75284818480 1 3.30689183592 -1.64977444070 -1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 1.66081705451 1.09295879416 1 -1.12447528227 -2.345093436379E-18 -1.71233470070 1 -0.500643208584 -1.66081705451 1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 6-*- 6 (6)4-Am-Benzenesulfonamide --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide ------------------------------------------------ 6 16.9068057473 -0.243177970445 1.059325119563E-16 6 12.0155875324 1.65600530852 7.874007219591E-16 6 15.7028346951 0.252939874960 2.26622819153 6 15.7028346951 0.252939874960 -2.26622819153 6 13.2672687790 1.18799231963 -2.25851621977 6 13.2672687790 1.18799231963 2.25851621977 1 16.6905927723 -4.935959543974E-02 4.00587781127 1 16.6905927723 -4.935959543974E-02 -4.00587781127 1 12.3418929399 1.58361797677 -4.01758126227 1 12.3418929399 1.58361797677 4.01758126227 16 19.9613139677 -1.48061075670 -3.396565444380E-16 8 21.0975033451 -0.827628604396 -2.36965497358 8 21.0975033451 -0.827628604396 2.36965497358 7 19.6140817394 -4.50363661503 -1.520890767875E-15 1 19.6563448244 -5.45686048237 1.62850009449 1 19.6563448244 -5.45686048237 -1.62850009449 6 9.31463490683 2.60509907624 1.124910972962E-15 1 8.98767928251 3.77103356608 1.65353820795 1 8.98767928251 3.77103356608 -1.65353820795 6 7.41754404250 0.378508099205 2.354035425308E-16 1 7.75886683358 -0.788097380015 1.65185162751 1 7.75886683358 -0.788097380015 -1.65185162751 6 4.65268631611 1.28701345345 5.563510498846E-16 1 4.32004736793 2.45842354097 1.65339251008 1 4.32004736793 2.45842354097 -1.65339251008 6 2.76072678768 -0.925807775628 -3.277337893163E-16 1 3.09073708924 -2.09665994535 1.65204135600 1 3.09073708924 -2.09665994535 -1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 1.14184653845 1.66034613480 1 -1.30590878374 -1.57901648689 -6.303379891292E-16 1 -0.377248445559 1.14184653845 -1.66034613480 ------------------------------------------------ 6 14.1238159113 1.214503673567E-17 -0.678437661017 6 9.44100667607 7.329180195868E-17 1.68836769331 6 12.9508759688 -2.26624992338 -0.112955994743 6 12.9508759688 2.26624992338 -0.112955994743 6 10.6269754875 2.25848844080 1.07270695836 6 10.6269754875 -2.25848844080 1.07270695836 1 13.8404298349 -4.00630337757 -0.636723693997 1 13.8404298349 4.00630337757 -0.636723693997 1 9.72086351835 4.01774604637 1.51016368205 1 9.72086351835 -4.01774604637 1.51016368205 16 17.0896510524 -2.469474469544E-17 -2.11542048055 8 17.3657436482 2.36962001365 -3.39654871916 8 17.3657436482 -2.36962001365 -3.39654871916 7 19.1011870389 4.944166890890E-17 0.167534197609 1 19.8356986120 -1.62853921182 0.776447021723 1 19.8356986120 1.62853921182 0.776447021723 6 6.84711615725 1.041405701228E-16 2.90008400935 1 6.63682781461 -1.65387609096 4.09248466188 1 6.63682781461 1.65387609096 4.09248466188 6 4.74105840551 3.748430357849E-17 0.870168924938 1 4.96583213621 -1.65095665328 -0.325145161310 1 4.96583213621 1.65095665328 -0.325145161310 6 2.07671001580 6.693452376398E-17 2.04129882743 1 1.86017810411 -1.65244972578 3.23844110052 1 1.86017810411 1.65244972578 3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 -1.66008648645 -1.19157111842 1 -1.86482588637 2.150045959666E-17 0.848869041688 1 0.161115980412 1.66008648645 -1.19157111842 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 12.0127056291 -0.467319191248 0.111806432972 6 6.97352093600 0.759917308701 4.748266917407E-02 6 10.2217532895 -2.37079219426 0.152809003460 6 11.3033419938 2.04980757052 9.307700569057E-02 6 8.76972951282 2.66113662451 5.092383423729E-02 6 7.68607351310 -1.75397861179 0.112223563757 1 10.8183018721 -4.29997421278 0.259688127616 1 12.7207799808 3.49060386186 0.155267676093 1 8.15790328645 4.58878364063 3.776105769249E-02 1 6.26630294078 -3.18887845369 0.146456888627 16 15.2263520177 -1.25494370756 8.406950718910E-02 8 16.5763713396 0.857729096636 1.09992283794 8 15.4471228542 -3.74394477194 1.12115495093 7 15.9595091226 -1.44681230628 -2.85648386684 1 15.9368640683 -3.12142107712 -3.72820018659 1 16.7225609771 3.868535428217E-02 -3.73740008869 6 4.28110783217 1.51706821998 4.380793909740E-03 8 3.53735775286 3.67127241182 -4.627237069106E-02 8 2.70645115658 -0.479140449071 2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 1.08656629775 1.64022531142 1 -0.866069129495 -1.83937203385 2.906081667564E-02 1 -0.516390062658 1.02531407580 -1.68530034526 ------------------------------------------------ 6 5.04401540573 5.065785560124E-17 -8.565768416162E-02 6 9.27990108396 9.396277336371E-17 2.94283641892 6 6.11045552513 2.27247789332 0.644730598780 6 6.11045552513 -2.27247789332 0.644730598780 6 8.22908048709 -2.26870089799 2.17155776959 6 8.22908048709 2.26870089799 2.17155776959 1 5.30807717985 4.00751998316 -1.696942951703E-02 1 5.30807717985 -4.00751998316 -1.696942951703E-02 1 9.06580730279 -4.02284755065 2.73828333892 1 9.06580730279 4.02284755065 2.73828333892 1 10.9268739609 1.108006638944E-16 4.12165702328 16 2.32566022845 2.288454205577E-17 -1.95862643609 8 2.24799399215 -2.36940193927 -3.26556451771 8 2.24799399215 2.36940193927 -3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 1.62837329388 0.493096431600 1 -0.817594738155 -1.62837329388 0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 12.0127056291 -0.467319191248 0.111806432972 6 6.97352093600 0.759917308701 4.748266917407E-02 6 10.2217532895 -2.37079219426 0.152809003460 6 11.3033419938 2.04980757052 9.307700569057E-02 6 8.76972951282 2.66113662451 5.092383423729E-02 6 7.68607351310 -1.75397861179 0.112223563757 1 10.8183018721 -4.29997421278 0.259688127616 1 12.7207799808 3.49060386186 0.155267676093 1 8.15790328645 4.58878364063 3.776105769249E-02 1 6.26630294078 -3.18887845369 0.146456888627 16 15.2263520177 -1.25494370756 8.406950718910E-02 8 16.5763713396 0.857729096636 1.09992283794 8 15.4471228542 -3.74394477194 1.12115495093 7 15.9595091226 -1.44681230628 -2.85648386684 1 15.9368640683 -3.12142107712 -3.72820018659 1 16.7225609771 3.868535428217E-02 -3.73740008869 6 4.28110783217 1.51706821998 4.380793909740E-03 8 3.53735775286 3.67127241182 -4.627237069106E-02 8 2.70645115658 -0.479140449071 2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 1.08656629775 1.64022531142 1 -0.866069129495 -1.83937203385 2.906081667564E-02 1 -0.516390062658 1.02531407580 -1.68530034526 ------------------------------------------------ 6 8.11007909745 8.556435899195E-18 0.100897097935 6 2.86329951331 2.922536611154E-18 7.349736953064E-02 6 6.80777063774 2.26567639154 0.121232299609 6 6.80777063774 -2.26567639154 0.121232299609 6 4.19897121896 -2.25839811190 9.895828809266E-02 6 4.19897121896 2.25839811190 9.895828809266E-02 1 7.83682406515 4.00573551491 0.201208431763 1 7.83682406515 -4.00573551491 0.201208431763 1 3.19435364603 -4.01778780932 0.125815986880 1 3.19435364603 4.01778780932 0.125815986880 16 11.4059109298 1.222287901647E-17 6.903234852523E-02 8 12.2226557176 -2.36966347735 1.09351831769 8 12.2226557176 2.36966347735 1.09351831769 7 12.1903871090 2.070990068685E-17 -2.87084462677 1 12.5792272181 1.62848573258 -3.74230825804 1 12.5792272181 -1.62848573258 -3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 4.336273740756E-18 -1.94437378897 1 -0.758564487207 -1.65923610975 0.927043031519 1 -0.758564487207 1.65923610975 0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 12.0127056291 -0.467319191248 0.111806432972 6 6.97352093600 0.759917308701 4.748266917407E-02 6 10.2217532895 -2.37079219426 0.152809003460 6 11.3033419938 2.04980757052 9.307700569057E-02 6 8.76972951282 2.66113662451 5.092383423729E-02 6 7.68607351310 -1.75397861179 0.112223563757 1 10.8183018721 -4.29997421278 0.259688127616 1 12.7207799808 3.49060386186 0.155267676093 1 8.15790328645 4.58878364063 3.776105769249E-02 1 6.26630294078 -3.18887845369 0.146456888627 16 15.2263520177 -1.25494370756 8.406950718910E-02 8 16.5763713396 0.857729096636 1.09992283794 8 15.4471228542 -3.74394477194 1.12115495093 7 15.9595091226 -1.44681230628 -2.85648386684 1 15.9368640683 -3.12142107712 -3.72820018659 1 16.7225609771 3.868535428217E-02 -3.73740008869 6 4.28110783217 1.51706821998 4.380793909740E-03 8 3.53735775286 3.67127241182 -4.627237069106E-02 8 2.70645115658 -0.479140449071 2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 1.08656629775 1.64022531142 1 -0.866069129495 -1.83937203385 2.906081667564E-02 1 -0.516390062658 1.02531407580 -1.68530034526 ------------------------------------------------ 6 9.49515614095 1.986230634504E-17 0.330909318726 6 4.54766506655 -1.418482302241E-17 -1.41449070261 6 8.25938767444 2.26624765571 -7.914581718090E-02 6 8.25938767444 -2.26624765571 -7.914581718090E-02 6 5.80247435955 -2.25843288285 -0.956589914867 6 5.80247435955 2.25843288285 -0.956589914867 1 9.20891937494 4.00630432243 0.325801090800 1 9.20891937494 -4.00630432243 0.325801090800 1 4.84800788582 -4.01788928760 -1.27432519389 1 4.84800788582 4.01788928760 -1.27432519389 16 12.6215076530 4.047871219384E-17 1.37421975164 8 13.0597966465 -2.36964987132 2.60912294465 8 13.0597966465 2.36964987132 2.60912294465 7 14.3219760733 5.129921083899E-18 -1.14895839935 1 14.9723537348 1.62851785792 -1.84712919698 1 14.9723537348 -1.62851785792 -1.84712919698 6 1.82011448549 -3.162508651201E-17 -2.28845439361 1 1.46450096442 -1.65231782291 -3.44535547264 1 1.46450096442 1.65231782291 -3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 -1.65855864299 1.15861699465 1 0.312880607522 1.65855864299 1.15861699465 1 -1.95068478995 -1.250653597013E-17 -0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 12.0127056291 -0.467319191248 0.111806432972 6 6.97352093600 0.759917308701 4.748266917407E-02 6 10.2217532895 -2.37079219426 0.152809003460 6 11.3033419938 2.04980757052 9.307700569057E-02 6 8.76972951282 2.66113662451 5.092383423729E-02 6 7.68607351310 -1.75397861179 0.112223563757 1 10.8183018721 -4.29997421278 0.259688127616 1 12.7207799808 3.49060386186 0.155267676093 1 8.15790328645 4.58878364063 3.776105769249E-02 1 6.26630294078 -3.18887845369 0.146456888627 16 15.2263520177 -1.25494370756 8.406950718910E-02 8 16.5763713396 0.857729096636 1.09992283794 8 15.4471228542 -3.74394477194 1.12115495093 7 15.9595091226 -1.44681230628 -2.85648386684 1 15.9368640683 -3.12142107712 -3.72820018659 1 16.7225609771 3.868535428217E-02 -3.73740008869 6 4.28110783217 1.51706821998 4.380793909740E-03 8 3.53735775286 3.67127241182 -4.627237069106E-02 8 2.70645115658 -0.479140449071 2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 1.08656629775 1.64022531142 1 -0.866069129495 -1.83937203385 2.906081667564E-02 1 -0.516390062658 1.02531407580 -1.68530034526 ------------------------------------------------ 6 12.3462848294 8.276065163872E-20 0.219629035968 6 7.27697590475 -1.666425406161E-18 -1.13352461031 6 11.0821729337 2.26629036351 -9.228879249722E-02 6 11.0821729337 -2.26629036351 -9.228879249722E-02 6 8.56408820998 -2.25853587292 -0.774654122839 6 8.56408820998 2.25853587292 -0.774654122839 1 12.0604999845 4.00629846428 0.237334526856 1 12.0604999845 -4.00629846428 0.237334526856 1 7.58747623906 -4.01782409206 -1.01660875510 1 7.58747623906 4.01782409206 -1.01660875510 16 15.5446672699 1.106855929460E-18 1.01482146618 8 16.0785895276 -2.36961755701 2.21160547802 8 16.0785895276 2.36961755701 2.21160547802 7 17.0423265084 -2.516184840979E-18 -1.63372129060 1 17.6356158799 1.62852220429 -2.38095755132 1 17.6356158799 -1.62852220429 -2.38095755132 6 4.48973225005 -2.504801715792E-18 -1.78668016231 1 4.03784923022 -1.65364233185 -2.91036104922 1 4.03784923022 1.65364233185 -2.91036104922 6 2.84178543494 8.061817684800E-19 0.630150435706 1 3.30689183592 -1.64977444070 1.75284818480 1 3.30689183592 1.64977444070 1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 -1.66081705451 -1.09295879416 1 -1.12447528227 2.345093436379E-18 1.71233470070 1 -0.500643208584 1.66081705451 -1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide ------------------------------------------------ 6 12.0127056291 -0.467319191248 0.111806432972 6 6.97352093600 0.759917308701 4.748266917407E-02 6 10.2217532895 -2.37079219426 0.152809003460 6 11.3033419938 2.04980757052 9.307700569057E-02 6 8.76972951282 2.66113662451 5.092383423729E-02 6 7.68607351310 -1.75397861179 0.112223563757 1 10.8183018721 -4.29997421278 0.259688127616 1 12.7207799808 3.49060386186 0.155267676093 1 8.15790328645 4.58878364063 3.776105769249E-02 1 6.26630294078 -3.18887845369 0.146456888627 16 15.2263520177 -1.25494370756 8.406950718910E-02 8 16.5763713396 0.857729096636 1.09992283794 8 15.4471228542 -3.74394477194 1.12115495093 7 15.9595091226 -1.44681230628 -2.85648386684 1 15.9368640683 -3.12142107712 -3.72820018659 1 16.7225609771 3.868535428217E-02 -3.73740008869 6 4.28110783217 1.51706821998 4.380793909740E-03 8 3.53735775286 3.67127241182 -4.627237069106E-02 8 2.70645115658 -0.479140449071 2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 1.08656629775 1.64022531142 1 -0.866069129495 -1.83937203385 2.906081667564E-02 1 -0.516390062658 1.02531407580 -1.68530034526 ------------------------------------------------ 6 14.1238159113 -1.214503673567E-17 0.678437661017 6 9.44100667607 -7.329180195868E-17 -1.68836769331 6 12.9508759688 2.26624992338 0.112955994743 6 12.9508759688 -2.26624992338 0.112955994743 6 10.6269754875 -2.25848844080 -1.07270695836 6 10.6269754875 2.25848844080 -1.07270695836 1 13.8404298349 4.00630337757 0.636723693997 1 13.8404298349 -4.00630337757 0.636723693997 1 9.72086351835 -4.01774604637 -1.51016368205 1 9.72086351835 4.01774604637 -1.51016368205 16 17.0896510524 2.469474469544E-17 2.11542048055 8 17.3657436482 -2.36962001365 3.39654871916 8 17.3657436482 2.36962001365 3.39654871916 7 19.1011870389 -4.944166890890E-17 -0.167534197609 1 19.8356986120 1.62853921182 -0.776447021723 1 19.8356986120 -1.62853921182 -0.776447021723 6 6.84711615725 -1.041405701228E-16 -2.90008400935 1 6.63682781461 1.65387609096 -4.09248466188 1 6.63682781461 -1.65387609096 -4.09248466188 6 4.74105840551 -3.748430357849E-17 -0.870168924938 1 4.96583213621 1.65095665328 0.325145161310 1 4.96583213621 -1.65095665328 0.325145161310 6 2.07671001580 -6.693452376398E-17 -2.04129882743 1 1.86017810411 1.65244972578 -3.23844110052 1 1.86017810411 -1.65244972578 -3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 1.66008648645 1.19157111842 1 -1.86482588637 -2.150045959666E-17 -0.848869041688 1 0.161115980412 -1.66008648645 1.19157111842 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide --> 6-*- 6 (6)4-Am-Benzenesulfonamide ------------------------------------------------ 6 12.0127056291 -0.467319191248 0.111806432972 6 6.97352093600 0.759917308701 4.748266917407E-02 6 10.2217532895 -2.37079219426 0.152809003460 6 11.3033419938 2.04980757052 9.307700569057E-02 6 8.76972951282 2.66113662451 5.092383423729E-02 6 7.68607351310 -1.75397861179 0.112223563757 1 10.8183018721 -4.29997421278 0.259688127616 1 12.7207799808 3.49060386186 0.155267676093 1 8.15790328645 4.58878364063 3.776105769249E-02 1 6.26630294078 -3.18887845369 0.146456888627 16 15.2263520177 -1.25494370756 8.406950718910E-02 8 16.5763713396 0.857729096636 1.09992283794 8 15.4471228542 -3.74394477194 1.12115495093 7 15.9595091226 -1.44681230628 -2.85648386684 1 15.9368640683 -3.12142107712 -3.72820018659 1 16.7225609771 3.868535428217E-02 -3.73740008869 6 4.28110783217 1.51706821998 4.380793909740E-03 8 3.53735775286 3.67127241182 -4.627237069106E-02 8 2.70645115658 -0.479140449071 2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 1.08656629775 1.64022531142 1 -0.866069129495 -1.83937203385 2.906081667564E-02 1 -0.516390062658 1.02531407580 -1.68530034526 ------------------------------------------------ 6 16.9068057473 0.243177970445 -1.059325119563E-16 6 12.0155875324 -1.65600530852 -7.874007219591E-16 6 15.7028346951 -0.252939874960 -2.26622819153 6 15.7028346951 -0.252939874960 2.26622819153 6 13.2672687790 -1.18799231963 2.25851621977 6 13.2672687790 -1.18799231963 -2.25851621977 1 16.6905927723 4.935959543974E-02 -4.00587781127 1 16.6905927723 4.935959543974E-02 4.00587781127 1 12.3418929399 -1.58361797677 4.01758126227 1 12.3418929399 -1.58361797677 -4.01758126227 16 19.9613139677 1.48061075670 3.396565444380E-16 8 21.0975033451 0.827628604396 2.36965497358 8 21.0975033451 0.827628604396 -2.36965497358 7 19.6140817394 4.50363661503 1.520890767875E-15 1 19.6563448244 5.45686048237 -1.62850009449 1 19.6563448244 5.45686048237 1.62850009449 6 9.31463490683 -2.60509907624 -1.124910972962E-15 1 8.98767928251 -3.77103356608 -1.65353820795 1 8.98767928251 -3.77103356608 1.65353820795 6 7.41754404250 -0.378508099205 -2.354035425308E-16 1 7.75886683358 0.788097380015 -1.65185162751 1 7.75886683358 0.788097380015 1.65185162751 6 4.65268631611 -1.28701345345 -5.563510498846E-16 1 4.32004736793 -2.45842354097 -1.65339251008 1 4.32004736793 -2.45842354097 1.65339251008 6 2.76072678768 0.925807775628 3.277337893163E-16 1 3.09073708924 2.09665994535 -1.65204135600 1 3.09073708924 2.09665994535 1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 -1.14184653845 -1.66034613480 1 -1.30590878374 1.57901648689 6.303379891292E-16 1 -0.377248445559 -1.14184653845 1.66034613480 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 9.25649635012 1.80846527957 9.292601243073E-02 6 4.49653007628 -0.252386364964 5.563329730033E-02 6 8.97661510100 -0.790299344150 0.119114341606 6 7.17209172246 3.38798511785 0.102169685012 6 4.78224687467 2.34735739516 7.329320901833E-02 6 6.58177520099 -1.82758693433 9.237860791359E-02 1 10.6170947155 -1.96958871556 0.204027651419 1 7.43391914542 5.39176377246 0.175377186833 1 3.13114524169 3.51529832560 8.157662744579E-02 1 6.31465409765 -3.82860234946 0.115984151186 16 12.2941652834 3.11903583590 4.829871274683E-02 8 12.1064542125 5.60990047425 1.08680327140 8 13.9812398042 1.25851015147 1.05437846650 7 12.9682120575 3.43319864541 -2.89600901229 1 13.9516579638 2.09107340260 -3.78830088073 1 12.6725674087 5.08557002470 -3.76041888038 6 1.89086902464 -1.27466774715 2.847109335790E-02 8 1.83775228380 -3.81438709360 3.668617006514E-02 6 -0.611334772331 -5.09553939230 2.759474634627E-02 1 -1.67193584771 -4.49484752416 1.66284241111 1 -1.63290597596 -4.54650767572 -1.65033477868 6 -2.628882640013E-02 -7.90958602311 7.826139859268E-02 1 1.04055063371 -8.37091267308 1.76016592182 1 1.08118978950 -8.42305482102 -1.56183569609 1 -1.76381943467 -8.99262746496 7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ 6 5.04401540573 -5.065785560124E-17 8.565768416162E-02 6 9.27990108396 -9.396277336371E-17 -2.94283641892 6 6.11045552513 -2.27247789332 -0.644730598780 6 6.11045552513 2.27247789332 -0.644730598780 6 8.22908048709 2.26870089799 -2.17155776959 6 8.22908048709 -2.26870089799 -2.17155776959 1 5.30807717985 -4.00751998316 1.696942951703E-02 1 5.30807717985 4.00751998316 1.696942951703E-02 1 9.06580730279 4.02284755065 -2.73828333892 1 9.06580730279 -4.02284755065 -2.73828333892 1 10.9268739609 -1.108006638944E-16 -4.12165702328 16 2.32566022845 -2.288454205577E-17 1.95862643609 8 2.24799399215 2.36940193927 3.26556451771 8 2.24799399215 -2.36940193927 3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 -1.62837329388 -0.493096431600 1 -0.817594738155 1.62837329388 -0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 9.25649635012 1.80846527957 9.292601243073E-02 6 4.49653007628 -0.252386364964 5.563329730033E-02 6 8.97661510100 -0.790299344150 0.119114341606 6 7.17209172246 3.38798511785 0.102169685012 6 4.78224687467 2.34735739516 7.329320901833E-02 6 6.58177520099 -1.82758693433 9.237860791359E-02 1 10.6170947155 -1.96958871556 0.204027651419 1 7.43391914542 5.39176377246 0.175377186833 1 3.13114524169 3.51529832560 8.157662744579E-02 1 6.31465409765 -3.82860234946 0.115984151186 16 12.2941652834 3.11903583590 4.829871274683E-02 8 12.1064542125 5.60990047425 1.08680327140 8 13.9812398042 1.25851015147 1.05437846650 7 12.9682120575 3.43319864541 -2.89600901229 1 13.9516579638 2.09107340260 -3.78830088073 1 12.6725674087 5.08557002470 -3.76041888038 6 1.89086902464 -1.27466774715 2.847109335790E-02 8 1.83775228380 -3.81438709360 3.668617006514E-02 6 -0.611334772331 -5.09553939230 2.759474634627E-02 1 -1.67193584771 -4.49484752416 1.66284241111 1 -1.63290597596 -4.54650767572 -1.65033477868 6 -2.628882640013E-02 -7.90958602311 7.826139859268E-02 1 1.04055063371 -8.37091267308 1.76016592182 1 1.08118978950 -8.42305482102 -1.56183569609 1 -1.76381943467 -8.99262746496 7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ 6 8.11007909745 8.556435899195E-18 0.100897097935 6 2.86329951331 2.922536611154E-18 7.349736953064E-02 6 6.80777063774 2.26567639154 0.121232299609 6 6.80777063774 -2.26567639154 0.121232299609 6 4.19897121896 -2.25839811190 9.895828809266E-02 6 4.19897121896 2.25839811190 9.895828809266E-02 1 7.83682406515 4.00573551491 0.201208431763 1 7.83682406515 -4.00573551491 0.201208431763 1 3.19435364603 -4.01778780932 0.125815986880 1 3.19435364603 4.01778780932 0.125815986880 16 11.4059109298 1.222287901647E-17 6.903234852523E-02 8 12.2226557176 -2.36966347735 1.09351831769 8 12.2226557176 2.36966347735 1.09351831769 7 12.1903871090 2.070990068685E-17 -2.87084462677 1 12.5792272181 1.62848573258 -3.74230825804 1 12.5792272181 -1.62848573258 -3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 4.336273740756E-18 -1.94437378897 1 -0.758564487207 -1.65923610975 0.927043031519 1 -0.758564487207 1.65923610975 0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 9.25649635012 1.80846527957 9.292601243073E-02 6 4.49653007628 -0.252386364964 5.563329730033E-02 6 8.97661510100 -0.790299344150 0.119114341606 6 7.17209172246 3.38798511785 0.102169685012 6 4.78224687467 2.34735739516 7.329320901833E-02 6 6.58177520099 -1.82758693433 9.237860791359E-02 1 10.6170947155 -1.96958871556 0.204027651419 1 7.43391914542 5.39176377246 0.175377186833 1 3.13114524169 3.51529832560 8.157662744579E-02 1 6.31465409765 -3.82860234946 0.115984151186 16 12.2941652834 3.11903583590 4.829871274683E-02 8 12.1064542125 5.60990047425 1.08680327140 8 13.9812398042 1.25851015147 1.05437846650 7 12.9682120575 3.43319864541 -2.89600901229 1 13.9516579638 2.09107340260 -3.78830088073 1 12.6725674087 5.08557002470 -3.76041888038 6 1.89086902464 -1.27466774715 2.847109335790E-02 8 1.83775228380 -3.81438709360 3.668617006514E-02 6 -0.611334772331 -5.09553939230 2.759474634627E-02 1 -1.67193584771 -4.49484752416 1.66284241111 1 -1.63290597596 -4.54650767572 -1.65033477868 6 -2.628882640013E-02 -7.90958602311 7.826139859268E-02 1 1.04055063371 -8.37091267308 1.76016592182 1 1.08118978950 -8.42305482102 -1.56183569609 1 -1.76381943467 -8.99262746496 7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ 6 9.49515614095 -1.986230634504E-17 -0.330909318726 6 4.54766506655 1.418482302241E-17 1.41449070261 6 8.25938767444 -2.26624765571 7.914581718090E-02 6 8.25938767444 2.26624765571 7.914581718090E-02 6 5.80247435955 2.25843288285 0.956589914867 6 5.80247435955 -2.25843288285 0.956589914867 1 9.20891937494 -4.00630432243 -0.325801090800 1 9.20891937494 4.00630432243 -0.325801090800 1 4.84800788582 4.01788928760 1.27432519389 1 4.84800788582 -4.01788928760 1.27432519389 16 12.6215076530 -4.047871219384E-17 -1.37421975164 8 13.0597966465 2.36964987132 -2.60912294465 8 13.0597966465 -2.36964987132 -2.60912294465 7 14.3219760733 -5.129921083899E-18 1.14895839935 1 14.9723537348 -1.62851785792 1.84712919698 1 14.9723537348 1.62851785792 1.84712919698 6 1.82011448549 3.162508651201E-17 2.28845439361 1 1.46450096442 1.65231782291 3.44535547264 1 1.46450096442 -1.65231782291 3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 1.65855864299 -1.15861699465 1 0.312880607522 -1.65855864299 -1.15861699465 1 -1.95068478995 1.250653597013E-17 0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 9.25649635012 1.80846527957 9.292601243073E-02 6 4.49653007628 -0.252386364964 5.563329730033E-02 6 8.97661510100 -0.790299344150 0.119114341606 6 7.17209172246 3.38798511785 0.102169685012 6 4.78224687467 2.34735739516 7.329320901833E-02 6 6.58177520099 -1.82758693433 9.237860791359E-02 1 10.6170947155 -1.96958871556 0.204027651419 1 7.43391914542 5.39176377246 0.175377186833 1 3.13114524169 3.51529832560 8.157662744579E-02 1 6.31465409765 -3.82860234946 0.115984151186 16 12.2941652834 3.11903583590 4.829871274683E-02 8 12.1064542125 5.60990047425 1.08680327140 8 13.9812398042 1.25851015147 1.05437846650 7 12.9682120575 3.43319864541 -2.89600901229 1 13.9516579638 2.09107340260 -3.78830088073 1 12.6725674087 5.08557002470 -3.76041888038 6 1.89086902464 -1.27466774715 2.847109335790E-02 8 1.83775228380 -3.81438709360 3.668617006514E-02 6 -0.611334772331 -5.09553939230 2.759474634627E-02 1 -1.67193584771 -4.49484752416 1.66284241111 1 -1.63290597596 -4.54650767572 -1.65033477868 6 -2.628882640013E-02 -7.90958602311 7.826139859268E-02 1 1.04055063371 -8.37091267308 1.76016592182 1 1.08118978950 -8.42305482102 -1.56183569609 1 -1.76381943467 -8.99262746496 7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ 6 12.3462848294 8.276065163872E-20 0.219629035968 6 7.27697590475 -1.666425406161E-18 -1.13352461031 6 11.0821729337 2.26629036351 -9.228879249722E-02 6 11.0821729337 -2.26629036351 -9.228879249722E-02 6 8.56408820998 -2.25853587292 -0.774654122839 6 8.56408820998 2.25853587292 -0.774654122839 1 12.0604999845 4.00629846428 0.237334526856 1 12.0604999845 -4.00629846428 0.237334526856 1 7.58747623906 -4.01782409206 -1.01660875510 1 7.58747623906 4.01782409206 -1.01660875510 16 15.5446672699 1.106855929460E-18 1.01482146618 8 16.0785895276 -2.36961755701 2.21160547802 8 16.0785895276 2.36961755701 2.21160547802 7 17.0423265084 -2.516184840979E-18 -1.63372129060 1 17.6356158799 1.62852220429 -2.38095755132 1 17.6356158799 -1.62852220429 -2.38095755132 6 4.48973225005 -2.504801715792E-18 -1.78668016231 1 4.03784923022 -1.65364233185 -2.91036104922 1 4.03784923022 1.65364233185 -2.91036104922 6 2.84178543494 8.061817684800E-19 0.630150435706 1 3.30689183592 -1.64977444070 1.75284818480 1 3.30689183592 1.64977444070 1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 -1.66081705451 -1.09295879416 1 -1.12447528227 2.345093436379E-18 1.71233470070 1 -0.500643208584 1.66081705451 -1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide ------------------------------------------------ 6 9.25649635012 1.80846527957 9.292601243073E-02 6 4.49653007628 -0.252386364964 5.563329730033E-02 6 8.97661510100 -0.790299344150 0.119114341606 6 7.17209172246 3.38798511785 0.102169685012 6 4.78224687467 2.34735739516 7.329320901833E-02 6 6.58177520099 -1.82758693433 9.237860791359E-02 1 10.6170947155 -1.96958871556 0.204027651419 1 7.43391914542 5.39176377246 0.175377186833 1 3.13114524169 3.51529832560 8.157662744579E-02 1 6.31465409765 -3.82860234946 0.115984151186 16 12.2941652834 3.11903583590 4.829871274683E-02 8 12.1064542125 5.60990047425 1.08680327140 8 13.9812398042 1.25851015147 1.05437846650 7 12.9682120575 3.43319864541 -2.89600901229 1 13.9516579638 2.09107340260 -3.78830088073 1 12.6725674087 5.08557002470 -3.76041888038 6 1.89086902464 -1.27466774715 2.847109335790E-02 8 1.83775228380 -3.81438709360 3.668617006514E-02 6 -0.611334772331 -5.09553939230 2.759474634627E-02 1 -1.67193584771 -4.49484752416 1.66284241111 1 -1.63290597596 -4.54650767572 -1.65033477868 6 -2.628882640013E-02 -7.90958602311 7.826139859268E-02 1 1.04055063371 -8.37091267308 1.76016592182 1 1.08118978950 -8.42305482102 -1.56183569609 1 -1.76381943467 -8.99262746496 7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ 6 14.1238159113 -1.214503673567E-17 0.678437661017 6 9.44100667607 -7.329180195868E-17 -1.68836769331 6 12.9508759688 2.26624992338 0.112955994743 6 12.9508759688 -2.26624992338 0.112955994743 6 10.6269754875 -2.25848844080 -1.07270695836 6 10.6269754875 2.25848844080 -1.07270695836 1 13.8404298349 4.00630337757 0.636723693997 1 13.8404298349 -4.00630337757 0.636723693997 1 9.72086351835 -4.01774604637 -1.51016368205 1 9.72086351835 4.01774604637 -1.51016368205 16 17.0896510524 2.469474469544E-17 2.11542048055 8 17.3657436482 -2.36962001365 3.39654871916 8 17.3657436482 2.36962001365 3.39654871916 7 19.1011870389 -4.944166890890E-17 -0.167534197609 1 19.8356986120 1.62853921182 -0.776447021723 1 19.8356986120 -1.62853921182 -0.776447021723 6 6.84711615725 -1.041405701228E-16 -2.90008400935 1 6.63682781461 1.65387609096 -4.09248466188 1 6.63682781461 -1.65387609096 -4.09248466188 6 4.74105840551 -3.748430357849E-17 -0.870168924938 1 4.96583213621 1.65095665328 0.325145161310 1 4.96583213621 -1.65095665328 0.325145161310 6 2.07671001580 -6.693452376398E-17 -2.04129882743 1 1.86017810411 1.65244972578 -3.23844110052 1 1.86017810411 -1.65244972578 -3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 1.66008648645 1.19157111842 1 -1.86482588637 -2.150045959666E-17 -0.848869041688 1 0.161115980412 -1.66008648645 1.19157111842 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide --> 6-*- 6 (6)4-Am-Benzenesulfonamide ------------------------------------------------ 6 9.25649635012 1.80846527957 9.292601243073E-02 6 4.49653007628 -0.252386364964 5.563329730033E-02 6 8.97661510100 -0.790299344150 0.119114341606 6 7.17209172246 3.38798511785 0.102169685012 6 4.78224687467 2.34735739516 7.329320901833E-02 6 6.58177520099 -1.82758693433 9.237860791359E-02 1 10.6170947155 -1.96958871556 0.204027651419 1 7.43391914542 5.39176377246 0.175377186833 1 3.13114524169 3.51529832560 8.157662744579E-02 1 6.31465409765 -3.82860234946 0.115984151186 16 12.2941652834 3.11903583590 4.829871274683E-02 8 12.1064542125 5.60990047425 1.08680327140 8 13.9812398042 1.25851015147 1.05437846650 7 12.9682120575 3.43319864541 -2.89600901229 1 13.9516579638 2.09107340260 -3.78830088073 1 12.6725674087 5.08557002470 -3.76041888038 6 1.89086902464 -1.27466774715 2.847109335790E-02 8 1.83775228380 -3.81438709360 3.668617006514E-02 6 -0.611334772331 -5.09553939230 2.759474634627E-02 1 -1.67193584771 -4.49484752416 1.66284241111 1 -1.63290597596 -4.54650767572 -1.65033477868 6 -2.628882640013E-02 -7.90958602311 7.826139859268E-02 1 1.04055063371 -8.37091267308 1.76016592182 1 1.08118978950 -8.42305482102 -1.56183569609 1 -1.76381943467 -8.99262746496 7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ 6 16.9068057473 0.243177970445 -1.059325119563E-16 6 12.0155875324 -1.65600530852 -7.874007219591E-16 6 15.7028346951 -0.252939874960 -2.26622819153 6 15.7028346951 -0.252939874960 2.26622819153 6 13.2672687790 -1.18799231963 2.25851621977 6 13.2672687790 -1.18799231963 -2.25851621977 1 16.6905927723 4.935959543974E-02 -4.00587781127 1 16.6905927723 4.935959543974E-02 4.00587781127 1 12.3418929399 -1.58361797677 4.01758126227 1 12.3418929399 -1.58361797677 -4.01758126227 16 19.9613139677 1.48061075670 3.396565444380E-16 8 21.0975033451 0.827628604396 2.36965497358 8 21.0975033451 0.827628604396 -2.36965497358 7 19.6140817394 4.50363661503 1.520890767875E-15 1 19.6563448244 5.45686048237 -1.62850009449 1 19.6563448244 5.45686048237 1.62850009449 6 9.31463490683 -2.60509907624 -1.124910972962E-15 1 8.98767928251 -3.77103356608 -1.65353820795 1 8.98767928251 -3.77103356608 1.65353820795 6 7.41754404250 -0.378508099205 -2.354035425308E-16 1 7.75886683358 0.788097380015 -1.65185162751 1 7.75886683358 0.788097380015 1.65185162751 6 4.65268631611 -1.28701345345 -5.563510498846E-16 1 4.32004736793 -2.45842354097 -1.65339251008 1 4.32004736793 -2.45842354097 1.65339251008 6 2.76072678768 0.925807775628 3.277337893163E-16 1 3.09073708924 2.09665994535 -1.65204135600 1 3.09073708924 2.09665994535 1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 -1.14184653845 -1.66034613480 1 -1.30590878374 1.57901648689 6.303379891292E-16 1 -0.377248445559 -1.14184653845 1.66034613480 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide ------------------------------------------------ 6 9.25649635012 1.80846527957 9.292601243073E-02 6 4.49653007628 -0.252386364964 5.563329730033E-02 6 8.97661510100 -0.790299344150 0.119114341606 6 7.17209172246 3.38798511785 0.102169685012 6 4.78224687467 2.34735739516 7.329320901833E-02 6 6.58177520099 -1.82758693433 9.237860791359E-02 1 10.6170947155 -1.96958871556 0.204027651419 1 7.43391914542 5.39176377246 0.175377186833 1 3.13114524169 3.51529832560 8.157662744579E-02 1 6.31465409765 -3.82860234946 0.115984151186 16 12.2941652834 3.11903583590 4.829871274683E-02 8 12.1064542125 5.60990047425 1.08680327140 8 13.9812398042 1.25851015147 1.05437846650 7 12.9682120575 3.43319864541 -2.89600901229 1 13.9516579638 2.09107340260 -3.78830088073 1 12.6725674087 5.08557002470 -3.76041888038 6 1.89086902464 -1.27466774715 2.847109335790E-02 8 1.83775228380 -3.81438709360 3.668617006514E-02 6 -0.611334772331 -5.09553939230 2.759474634627E-02 1 -1.67193584771 -4.49484752416 1.66284241111 1 -1.63290597596 -4.54650767572 -1.65033477868 6 -2.628882640013E-02 -7.90958602311 7.826139859268E-02 1 1.04055063371 -8.37091267308 1.76016592182 1 1.08118978950 -8.42305482102 -1.56183569609 1 -1.76381943467 -8.99262746496 7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ 6 12.0127056291 -0.467319191248 0.111806432972 6 6.97352093600 0.759917308701 4.748266917407E-02 6 10.2217532895 -2.37079219426 0.152809003460 6 11.3033419938 2.04980757052 9.307700569057E-02 6 8.76972951282 2.66113662451 5.092383423729E-02 6 7.68607351310 -1.75397861179 0.112223563757 1 10.8183018721 -4.29997421278 0.259688127616 1 12.7207799808 3.49060386186 0.155267676093 1 8.15790328645 4.58878364063 3.776105769249E-02 1 6.26630294078 -3.18887845369 0.146456888627 16 15.2263520177 -1.25494370756 8.406950718910E-02 8 16.5763713396 0.857729096636 1.09992283794 8 15.4471228542 -3.74394477194 1.12115495093 7 15.9595091226 -1.44681230628 -2.85648386684 1 15.9368640683 -3.12142107712 -3.72820018659 1 16.7225609771 3.868535428217E-02 -3.73740008869 6 4.28110783217 1.51706821998 4.380793909740E-03 8 3.53735775286 3.67127241182 -4.627237069106E-02 8 2.70645115658 -0.479140449071 2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 1.08656629775 1.64022531142 1 -0.866069129495 -1.83937203385 2.906081667564E-02 1 -0.516390062658 1.02531407580 -1.68530034526 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 16.2691799750 -0.861123974289 0.131186883282 6 11.5121945621 1.20427204035 2.028457912686E-02 6 14.1804039648 -2.43212467262 0.170027955664 6 15.9979271981 1.73975638478 9.085209513991E-02 6 13.6053532164 2.77244247494 2.499575182470E-02 6 11.7868447762 -1.39343219905 0.106330752902 1 14.4397111888 -4.43379554927 0.293347888880 1 17.6391790059 2.91927288464 0.155077522013 1 13.3297352136 4.77580185192 -5.280276989638E-03 1 10.1431555114 -2.56525744119 0.138937307621 16 19.3020004227 -2.18348775204 0.134299477251 8 20.9842079738 -0.325733494236 1.15270139607 8 19.0886880558 -4.66812122535 1.18366001761 7 20.0154046741 -2.51391842666 -2.79896253743 1 19.7140075146 -4.16469009410 -3.66423830225 1 21.0264342221 -1.18451012097 -3.67951649332 6 8.98524438142 2.40710164988 -4.683800638368E-02 8 8.62404088094 4.65762117820 -0.119145313158 8 7.09521260910 0.710056286046 -2.027193485411E-02 6 4.48588899364 1.61442012240 -6.043557639931E-02 1 4.18402977757 2.83160191470 1.54997335048 1 4.18851510037 2.69852442655 -1.76429702456 6 2.81774658260 -0.727728392362 3.131445935321E-02 1 3.26511634385 -1.91346199534 -1.57535965464 1 3.26258594609 -1.78075553052 1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 -1.67378352623 6.601676572586E-02 1 -0.468128283684 1.03824231167 -1.70442814436 1 -0.470300494955 1.17038221894 1.61582801791 ------------------------------------------------ 6 5.04401540573 -5.065785560124E-17 8.565768416162E-02 6 9.27990108396 -9.396277336371E-17 -2.94283641892 6 6.11045552513 -2.27247789332 -0.644730598780 6 6.11045552513 2.27247789332 -0.644730598780 6 8.22908048709 2.26870089799 -2.17155776959 6 8.22908048709 -2.26870089799 -2.17155776959 1 5.30807717985 -4.00751998316 1.696942951703E-02 1 5.30807717985 4.00751998316 1.696942951703E-02 1 9.06580730279 4.02284755065 -2.73828333892 1 9.06580730279 -4.02284755065 -2.73828333892 1 10.9268739609 -1.108006638944E-16 -4.12165702328 16 2.32566022845 -2.288454205577E-17 1.95862643609 8 2.24799399215 2.36940193927 3.26556451771 8 2.24799399215 -2.36940193927 3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 -1.62837329388 -0.493096431600 1 -0.817594738155 1.62837329388 -0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 16.2691799750 -0.861123974289 0.131186883282 6 11.5121945621 1.20427204035 2.028457912686E-02 6 14.1804039648 -2.43212467262 0.170027955664 6 15.9979271981 1.73975638478 9.085209513991E-02 6 13.6053532164 2.77244247494 2.499575182470E-02 6 11.7868447762 -1.39343219905 0.106330752902 1 14.4397111888 -4.43379554927 0.293347888880 1 17.6391790059 2.91927288464 0.155077522013 1 13.3297352136 4.77580185192 -5.280276989638E-03 1 10.1431555114 -2.56525744119 0.138937307621 16 19.3020004227 -2.18348775204 0.134299477251 8 20.9842079738 -0.325733494236 1.15270139607 8 19.0886880558 -4.66812122535 1.18366001761 7 20.0154046741 -2.51391842666 -2.79896253743 1 19.7140075146 -4.16469009410 -3.66423830225 1 21.0264342221 -1.18451012097 -3.67951649332 6 8.98524438142 2.40710164988 -4.683800638368E-02 8 8.62404088094 4.65762117820 -0.119145313158 8 7.09521260910 0.710056286046 -2.027193485411E-02 6 4.48588899364 1.61442012240 -6.043557639931E-02 1 4.18402977757 2.83160191470 1.54997335048 1 4.18851510037 2.69852442655 -1.76429702456 6 2.81774658260 -0.727728392362 3.131445935321E-02 1 3.26511634385 -1.91346199534 -1.57535965464 1 3.26258594609 -1.78075553052 1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 -1.67378352623 6.601676572586E-02 1 -0.468128283684 1.03824231167 -1.70442814436 1 -0.470300494955 1.17038221894 1.61582801791 ------------------------------------------------ 6 8.11007909745 8.556435899195E-18 0.100897097935 6 2.86329951331 2.922536611154E-18 7.349736953064E-02 6 6.80777063774 2.26567639154 0.121232299609 6 6.80777063774 -2.26567639154 0.121232299609 6 4.19897121896 -2.25839811190 9.895828809266E-02 6 4.19897121896 2.25839811190 9.895828809266E-02 1 7.83682406515 4.00573551491 0.201208431763 1 7.83682406515 -4.00573551491 0.201208431763 1 3.19435364603 -4.01778780932 0.125815986880 1 3.19435364603 4.01778780932 0.125815986880 16 11.4059109298 1.222287901647E-17 6.903234852523E-02 8 12.2226557176 -2.36966347735 1.09351831769 8 12.2226557176 2.36966347735 1.09351831769 7 12.1903871090 2.070990068685E-17 -2.87084462677 1 12.5792272181 1.62848573258 -3.74230825804 1 12.5792272181 -1.62848573258 -3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 4.336273740756E-18 -1.94437378897 1 -0.758564487207 -1.65923610975 0.927043031519 1 -0.758564487207 1.65923610975 0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 16.2691799750 -0.861123974289 0.131186883282 6 11.5121945621 1.20427204035 2.028457912686E-02 6 14.1804039648 -2.43212467262 0.170027955664 6 15.9979271981 1.73975638478 9.085209513991E-02 6 13.6053532164 2.77244247494 2.499575182470E-02 6 11.7868447762 -1.39343219905 0.106330752902 1 14.4397111888 -4.43379554927 0.293347888880 1 17.6391790059 2.91927288464 0.155077522013 1 13.3297352136 4.77580185192 -5.280276989638E-03 1 10.1431555114 -2.56525744119 0.138937307621 16 19.3020004227 -2.18348775204 0.134299477251 8 20.9842079738 -0.325733494236 1.15270139607 8 19.0886880558 -4.66812122535 1.18366001761 7 20.0154046741 -2.51391842666 -2.79896253743 1 19.7140075146 -4.16469009410 -3.66423830225 1 21.0264342221 -1.18451012097 -3.67951649332 6 8.98524438142 2.40710164988 -4.683800638368E-02 8 8.62404088094 4.65762117820 -0.119145313158 8 7.09521260910 0.710056286046 -2.027193485411E-02 6 4.48588899364 1.61442012240 -6.043557639931E-02 1 4.18402977757 2.83160191470 1.54997335048 1 4.18851510037 2.69852442655 -1.76429702456 6 2.81774658260 -0.727728392362 3.131445935321E-02 1 3.26511634385 -1.91346199534 -1.57535965464 1 3.26258594609 -1.78075553052 1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 -1.67378352623 6.601676572586E-02 1 -0.468128283684 1.03824231167 -1.70442814436 1 -0.470300494955 1.17038221894 1.61582801791 ------------------------------------------------ 6 9.49515614095 1.986230634504E-17 0.330909318726 6 4.54766506655 -1.418482302241E-17 -1.41449070261 6 8.25938767444 2.26624765571 -7.914581718090E-02 6 8.25938767444 -2.26624765571 -7.914581718090E-02 6 5.80247435955 -2.25843288285 -0.956589914867 6 5.80247435955 2.25843288285 -0.956589914867 1 9.20891937494 4.00630432243 0.325801090800 1 9.20891937494 -4.00630432243 0.325801090800 1 4.84800788582 -4.01788928760 -1.27432519389 1 4.84800788582 4.01788928760 -1.27432519389 16 12.6215076530 4.047871219384E-17 1.37421975164 8 13.0597966465 -2.36964987132 2.60912294465 8 13.0597966465 2.36964987132 2.60912294465 7 14.3219760733 5.129921083899E-18 -1.14895839935 1 14.9723537348 1.62851785792 -1.84712919698 1 14.9723537348 -1.62851785792 -1.84712919698 6 1.82011448549 -3.162508651201E-17 -2.28845439361 1 1.46450096442 -1.65231782291 -3.44535547264 1 1.46450096442 1.65231782291 -3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 -1.65855864299 1.15861699465 1 0.312880607522 1.65855864299 1.15861699465 1 -1.95068478995 -1.250653597013E-17 -0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 16.2691799750 -0.861123974289 0.131186883282 6 11.5121945621 1.20427204035 2.028457912686E-02 6 14.1804039648 -2.43212467262 0.170027955664 6 15.9979271981 1.73975638478 9.085209513991E-02 6 13.6053532164 2.77244247494 2.499575182470E-02 6 11.7868447762 -1.39343219905 0.106330752902 1 14.4397111888 -4.43379554927 0.293347888880 1 17.6391790059 2.91927288464 0.155077522013 1 13.3297352136 4.77580185192 -5.280276989638E-03 1 10.1431555114 -2.56525744119 0.138937307621 16 19.3020004227 -2.18348775204 0.134299477251 8 20.9842079738 -0.325733494236 1.15270139607 8 19.0886880558 -4.66812122535 1.18366001761 7 20.0154046741 -2.51391842666 -2.79896253743 1 19.7140075146 -4.16469009410 -3.66423830225 1 21.0264342221 -1.18451012097 -3.67951649332 6 8.98524438142 2.40710164988 -4.683800638368E-02 8 8.62404088094 4.65762117820 -0.119145313158 8 7.09521260910 0.710056286046 -2.027193485411E-02 6 4.48588899364 1.61442012240 -6.043557639931E-02 1 4.18402977757 2.83160191470 1.54997335048 1 4.18851510037 2.69852442655 -1.76429702456 6 2.81774658260 -0.727728392362 3.131445935321E-02 1 3.26511634385 -1.91346199534 -1.57535965464 1 3.26258594609 -1.78075553052 1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 -1.67378352623 6.601676572586E-02 1 -0.468128283684 1.03824231167 -1.70442814436 1 -0.470300494955 1.17038221894 1.61582801791 ------------------------------------------------ 6 12.3462848294 -8.276065163872E-20 -0.219629035968 6 7.27697590475 1.666425406161E-18 1.13352461031 6 11.0821729337 -2.26629036351 9.228879249722E-02 6 11.0821729337 2.26629036351 9.228879249722E-02 6 8.56408820998 2.25853587292 0.774654122839 6 8.56408820998 -2.25853587292 0.774654122839 1 12.0604999845 -4.00629846428 -0.237334526856 1 12.0604999845 4.00629846428 -0.237334526856 1 7.58747623906 4.01782409206 1.01660875510 1 7.58747623906 -4.01782409206 1.01660875510 16 15.5446672699 -1.106855929460E-18 -1.01482146618 8 16.0785895276 2.36961755701 -2.21160547802 8 16.0785895276 -2.36961755701 -2.21160547802 7 17.0423265084 2.516184840979E-18 1.63372129060 1 17.6356158799 -1.62852220429 2.38095755132 1 17.6356158799 1.62852220429 2.38095755132 6 4.48973225005 2.504801715792E-18 1.78668016231 1 4.03784923022 1.65364233185 2.91036104922 1 4.03784923022 -1.65364233185 2.91036104922 6 2.84178543494 -8.061817684800E-19 -0.630150435706 1 3.30689183592 1.64977444070 -1.75284818480 1 3.30689183592 -1.64977444070 -1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 1.66081705451 1.09295879416 1 -1.12447528227 -2.345093436379E-18 -1.71233470070 1 -0.500643208584 -1.66081705451 1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide ------------------------------------------------ 6 16.2691799750 -0.861123974289 0.131186883282 6 11.5121945621 1.20427204035 2.028457912686E-02 6 14.1804039648 -2.43212467262 0.170027955664 6 15.9979271981 1.73975638478 9.085209513991E-02 6 13.6053532164 2.77244247494 2.499575182470E-02 6 11.7868447762 -1.39343219905 0.106330752902 1 14.4397111888 -4.43379554927 0.293347888880 1 17.6391790059 2.91927288464 0.155077522013 1 13.3297352136 4.77580185192 -5.280276989638E-03 1 10.1431555114 -2.56525744119 0.138937307621 16 19.3020004227 -2.18348775204 0.134299477251 8 20.9842079738 -0.325733494236 1.15270139607 8 19.0886880558 -4.66812122535 1.18366001761 7 20.0154046741 -2.51391842666 -2.79896253743 1 19.7140075146 -4.16469009410 -3.66423830225 1 21.0264342221 -1.18451012097 -3.67951649332 6 8.98524438142 2.40710164988 -4.683800638368E-02 8 8.62404088094 4.65762117820 -0.119145313158 8 7.09521260910 0.710056286046 -2.027193485411E-02 6 4.48588899364 1.61442012240 -6.043557639931E-02 1 4.18402977757 2.83160191470 1.54997335048 1 4.18851510037 2.69852442655 -1.76429702456 6 2.81774658260 -0.727728392362 3.131445935321E-02 1 3.26511634385 -1.91346199534 -1.57535965464 1 3.26258594609 -1.78075553052 1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 -1.67378352623 6.601676572586E-02 1 -0.468128283684 1.03824231167 -1.70442814436 1 -0.470300494955 1.17038221894 1.61582801791 ------------------------------------------------ 6 14.1238159113 -1.214503673567E-17 0.678437661017 6 9.44100667607 -7.329180195868E-17 -1.68836769331 6 12.9508759688 2.26624992338 0.112955994743 6 12.9508759688 -2.26624992338 0.112955994743 6 10.6269754875 -2.25848844080 -1.07270695836 6 10.6269754875 2.25848844080 -1.07270695836 1 13.8404298349 4.00630337757 0.636723693997 1 13.8404298349 -4.00630337757 0.636723693997 1 9.72086351835 -4.01774604637 -1.51016368205 1 9.72086351835 4.01774604637 -1.51016368205 16 17.0896510524 2.469474469544E-17 2.11542048055 8 17.3657436482 -2.36962001365 3.39654871916 8 17.3657436482 2.36962001365 3.39654871916 7 19.1011870389 -4.944166890890E-17 -0.167534197609 1 19.8356986120 1.62853921182 -0.776447021723 1 19.8356986120 -1.62853921182 -0.776447021723 6 6.84711615725 -1.041405701228E-16 -2.90008400935 1 6.63682781461 1.65387609096 -4.09248466188 1 6.63682781461 -1.65387609096 -4.09248466188 6 4.74105840551 -3.748430357849E-17 -0.870168924938 1 4.96583213621 1.65095665328 0.325145161310 1 4.96583213621 -1.65095665328 0.325145161310 6 2.07671001580 -6.693452376398E-17 -2.04129882743 1 1.86017810411 1.65244972578 -3.23844110052 1 1.86017810411 -1.65244972578 -3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 1.66008648645 1.19157111842 1 -1.86482588637 -2.150045959666E-17 -0.848869041688 1 0.161115980412 -1.66008648645 1.19157111842 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide --> 6-*- 6 (6)4-Am-Benzenesulfonamide ------------------------------------------------ 6 16.2691799750 -0.861123974289 0.131186883282 6 11.5121945621 1.20427204035 2.028457912686E-02 6 14.1804039648 -2.43212467262 0.170027955664 6 15.9979271981 1.73975638478 9.085209513991E-02 6 13.6053532164 2.77244247494 2.499575182470E-02 6 11.7868447762 -1.39343219905 0.106330752902 1 14.4397111888 -4.43379554927 0.293347888880 1 17.6391790059 2.91927288464 0.155077522013 1 13.3297352136 4.77580185192 -5.280276989638E-03 1 10.1431555114 -2.56525744119 0.138937307621 16 19.3020004227 -2.18348775204 0.134299477251 8 20.9842079738 -0.325733494236 1.15270139607 8 19.0886880558 -4.66812122535 1.18366001761 7 20.0154046741 -2.51391842666 -2.79896253743 1 19.7140075146 -4.16469009410 -3.66423830225 1 21.0264342221 -1.18451012097 -3.67951649332 6 8.98524438142 2.40710164988 -4.683800638368E-02 8 8.62404088094 4.65762117820 -0.119145313158 8 7.09521260910 0.710056286046 -2.027193485411E-02 6 4.48588899364 1.61442012240 -6.043557639931E-02 1 4.18402977757 2.83160191470 1.54997335048 1 4.18851510037 2.69852442655 -1.76429702456 6 2.81774658260 -0.727728392362 3.131445935321E-02 1 3.26511634385 -1.91346199534 -1.57535965464 1 3.26258594609 -1.78075553052 1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 -1.67378352623 6.601676572586E-02 1 -0.468128283684 1.03824231167 -1.70442814436 1 -0.470300494955 1.17038221894 1.61582801791 ------------------------------------------------ 6 16.9068057473 -0.243177970445 1.059325119563E-16 6 12.0155875324 1.65600530852 7.874007219591E-16 6 15.7028346951 0.252939874960 2.26622819153 6 15.7028346951 0.252939874960 -2.26622819153 6 13.2672687790 1.18799231963 -2.25851621977 6 13.2672687790 1.18799231963 2.25851621977 1 16.6905927723 -4.935959543974E-02 4.00587781127 1 16.6905927723 -4.935959543974E-02 -4.00587781127 1 12.3418929399 1.58361797677 -4.01758126227 1 12.3418929399 1.58361797677 4.01758126227 16 19.9613139677 -1.48061075670 -3.396565444380E-16 8 21.0975033451 -0.827628604396 -2.36965497358 8 21.0975033451 -0.827628604396 2.36965497358 7 19.6140817394 -4.50363661503 -1.520890767875E-15 1 19.6563448244 -5.45686048237 1.62850009449 1 19.6563448244 -5.45686048237 -1.62850009449 6 9.31463490683 2.60509907624 1.124910972962E-15 1 8.98767928251 3.77103356608 1.65353820795 1 8.98767928251 3.77103356608 -1.65353820795 6 7.41754404250 0.378508099205 2.354035425308E-16 1 7.75886683358 -0.788097380015 1.65185162751 1 7.75886683358 -0.788097380015 -1.65185162751 6 4.65268631611 1.28701345345 5.563510498846E-16 1 4.32004736793 2.45842354097 1.65339251008 1 4.32004736793 2.45842354097 -1.65339251008 6 2.76072678768 -0.925807775628 -3.277337893163E-16 1 3.09073708924 -2.09665994535 1.65204135600 1 3.09073708924 -2.09665994535 -1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 1.14184653845 1.66034613480 1 -1.30590878374 -1.57901648689 -6.303379891292E-16 1 -0.377248445559 1.14184653845 -1.66034613480 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide ------------------------------------------------ 6 16.2691799750 -0.861123974289 0.131186883282 6 11.5121945621 1.20427204035 2.028457912686E-02 6 14.1804039648 -2.43212467262 0.170027955664 6 15.9979271981 1.73975638478 9.085209513991E-02 6 13.6053532164 2.77244247494 2.499575182470E-02 6 11.7868447762 -1.39343219905 0.106330752902 1 14.4397111888 -4.43379554927 0.293347888880 1 17.6391790059 2.91927288464 0.155077522013 1 13.3297352136 4.77580185192 -5.280276989638E-03 1 10.1431555114 -2.56525744119 0.138937307621 16 19.3020004227 -2.18348775204 0.134299477251 8 20.9842079738 -0.325733494236 1.15270139607 8 19.0886880558 -4.66812122535 1.18366001761 7 20.0154046741 -2.51391842666 -2.79896253743 1 19.7140075146 -4.16469009410 -3.66423830225 1 21.0264342221 -1.18451012097 -3.67951649332 6 8.98524438142 2.40710164988 -4.683800638368E-02 8 8.62404088094 4.65762117820 -0.119145313158 8 7.09521260910 0.710056286046 -2.027193485411E-02 6 4.48588899364 1.61442012240 -6.043557639931E-02 1 4.18402977757 2.83160191470 1.54997335048 1 4.18851510037 2.69852442655 -1.76429702456 6 2.81774658260 -0.727728392362 3.131445935321E-02 1 3.26511634385 -1.91346199534 -1.57535965464 1 3.26258594609 -1.78075553052 1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 -1.67378352623 6.601676572586E-02 1 -0.468128283684 1.03824231167 -1.70442814436 1 -0.470300494955 1.17038221894 1.61582801791 ------------------------------------------------ 6 12.0127056291 0.467319191248 -0.111806432972 6 6.97352093600 -0.759917308701 -4.748266917407E-02 6 10.2217532895 2.37079219426 -0.152809003460 6 11.3033419938 -2.04980757052 -9.307700569057E-02 6 8.76972951282 -2.66113662451 -5.092383423729E-02 6 7.68607351310 1.75397861179 -0.112223563757 1 10.8183018721 4.29997421278 -0.259688127616 1 12.7207799808 -3.49060386186 -0.155267676093 1 8.15790328645 -4.58878364063 -3.776105769249E-02 1 6.26630294078 3.18887845369 -0.146456888627 16 15.2263520177 1.25494370756 -8.406950718910E-02 8 16.5763713396 -0.857729096636 -1.09992283794 8 15.4471228542 3.74394477194 -1.12115495093 7 15.9595091226 1.44681230628 2.85648386684 1 15.9368640683 3.12142107712 3.72820018659 1 16.7225609771 -3.868535428217E-02 3.73740008869 6 4.28110783217 -1.51706821998 -4.380793909740E-03 8 3.53735775286 -3.67127241182 4.627237069106E-02 8 2.70645115658 0.479140449071 -2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 -1.08656629775 -1.64022531142 1 -0.866069129495 1.83937203385 -2.906081667564E-02 1 -0.516390062658 -1.02531407580 1.68530034526 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide ------------------------------------------------ 6 16.2691799750 -0.861123974289 0.131186883282 6 11.5121945621 1.20427204035 2.028457912686E-02 6 14.1804039648 -2.43212467262 0.170027955664 6 15.9979271981 1.73975638478 9.085209513991E-02 6 13.6053532164 2.77244247494 2.499575182470E-02 6 11.7868447762 -1.39343219905 0.106330752902 1 14.4397111888 -4.43379554927 0.293347888880 1 17.6391790059 2.91927288464 0.155077522013 1 13.3297352136 4.77580185192 -5.280276989638E-03 1 10.1431555114 -2.56525744119 0.138937307621 16 19.3020004227 -2.18348775204 0.134299477251 8 20.9842079738 -0.325733494236 1.15270139607 8 19.0886880558 -4.66812122535 1.18366001761 7 20.0154046741 -2.51391842666 -2.79896253743 1 19.7140075146 -4.16469009410 -3.66423830225 1 21.0264342221 -1.18451012097 -3.67951649332 6 8.98524438142 2.40710164988 -4.683800638368E-02 8 8.62404088094 4.65762117820 -0.119145313158 8 7.09521260910 0.710056286046 -2.027193485411E-02 6 4.48588899364 1.61442012240 -6.043557639931E-02 1 4.18402977757 2.83160191470 1.54997335048 1 4.18851510037 2.69852442655 -1.76429702456 6 2.81774658260 -0.727728392362 3.131445935321E-02 1 3.26511634385 -1.91346199534 -1.57535965464 1 3.26258594609 -1.78075553052 1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 -1.67378352623 6.601676572586E-02 1 -0.468128283684 1.03824231167 -1.70442814436 1 -0.470300494955 1.17038221894 1.61582801791 ------------------------------------------------ 6 9.25649635012 1.80846527957 9.292601243073E-02 6 4.49653007628 -0.252386364964 5.563329730033E-02 6 8.97661510100 -0.790299344150 0.119114341606 6 7.17209172246 3.38798511785 0.102169685012 6 4.78224687467 2.34735739516 7.329320901833E-02 6 6.58177520099 -1.82758693433 9.237860791359E-02 1 10.6170947155 -1.96958871556 0.204027651419 1 7.43391914542 5.39176377246 0.175377186833 1 3.13114524169 3.51529832560 8.157662744579E-02 1 6.31465409765 -3.82860234946 0.115984151186 16 12.2941652834 3.11903583590 4.829871274683E-02 8 12.1064542125 5.60990047425 1.08680327140 8 13.9812398042 1.25851015147 1.05437846650 7 12.9682120575 3.43319864541 -2.89600901229 1 13.9516579638 2.09107340260 -3.78830088073 1 12.6725674087 5.08557002470 -3.76041888038 6 1.89086902464 -1.27466774715 2.847109335790E-02 8 1.83775228380 -3.81438709360 3.668617006514E-02 6 -0.611334772331 -5.09553939230 2.759474634627E-02 1 -1.67193584771 -4.49484752416 1.66284241111 1 -1.63290597596 -4.54650767572 -1.65033477868 6 -2.628882640013E-02 -7.90958602311 7.826139859268E-02 1 1.04055063371 -8.37091267308 1.76016592182 1 1.08118978950 -8.42305482102 -1.56183569609 1 -1.76381943467 -8.99262746496 7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 17.9684279399 -1.54301176377 0.149693423226 6 13.6326730870 1.30132688262 2.138183749743E-02 6 15.6426740929 -2.73563073422 0.189786012449 6 18.1438750705 1.06604052147 9.962044033802E-02 6 15.9621451629 2.49057033907 2.523220981312E-02 6 13.4610204855 -1.30509459913 0.117287370756 1 15.5573431966 -4.75166639252 0.321088296824 1 19.9617870444 1.94922244854 0.163264253275 1 16.0314585342 4.51140907128 -1.239461845501E-02 1 11.6418341179 -2.17978662007 0.150641401029 16 20.7317846783 -3.36204210634 0.163987391502 8 22.7051478607 -1.81249173186 1.17548489088 8 20.0987699462 -5.76903704384 1.22508771415 7 21.3801516200 -3.82469400623 -2.76690153273 1 20.8048852121 -5.40607792939 -3.62309870587 1 22.6005200302 -2.68935847433 -3.65393602741 6 11.3472294671 2.91626214998 -5.651370344789E-02 8 9.19665552725 1.56522590120 -3.245613991045E-02 6 6.77856962350 2.90016097853 -8.749655544515E-02 1 6.67652246165 4.14495637472 1.52674105702 1 6.68550306343 4.02593032336 -1.78755983989 6 4.73704841955 0.874096953142 -1.969560988444E-02 1 4.98065500262 -0.246176556333 1.67702200013 1 4.98893864106 -0.366141886882 -1.62964287548 8 11.3745245833 5.19521098803 -0.135688264964 6 2.07271853085 2.04310727132 -6.880948422220E-02 1 1.85408721205 3.17805095775 -1.76397604453 1 1.84594669663 3.29720682002 1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 -1.24962477650 -1.61609500694 1 -1.86381093455 0.848750824383 -3.507941596838E-02 1 0.158113135931 -1.12952769314 1.70286806009 ------------------------------------------------ 6 5.04401540573 5.065785560124E-17 -8.565768416162E-02 6 9.27990108396 9.396277336371E-17 2.94283641892 6 6.11045552513 2.27247789332 0.644730598780 6 6.11045552513 -2.27247789332 0.644730598780 6 8.22908048709 -2.26870089799 2.17155776959 6 8.22908048709 2.26870089799 2.17155776959 1 5.30807717985 4.00751998316 -1.696942951703E-02 1 5.30807717985 -4.00751998316 -1.696942951703E-02 1 9.06580730279 -4.02284755065 2.73828333892 1 9.06580730279 4.02284755065 2.73828333892 1 10.9268739609 1.108006638944E-16 4.12165702328 16 2.32566022845 2.288454205577E-17 -1.95862643609 8 2.24799399215 -2.36940193927 -3.26556451771 8 2.24799399215 2.36940193927 -3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 1.62837329388 0.493096431600 1 -0.817594738155 -1.62837329388 0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 17.9684279399 -1.54301176377 0.149693423226 6 13.6326730870 1.30132688262 2.138183749743E-02 6 15.6426740929 -2.73563073422 0.189786012449 6 18.1438750705 1.06604052147 9.962044033802E-02 6 15.9621451629 2.49057033907 2.523220981312E-02 6 13.4610204855 -1.30509459913 0.117287370756 1 15.5573431966 -4.75166639252 0.321088296824 1 19.9617870444 1.94922244854 0.163264253275 1 16.0314585342 4.51140907128 -1.239461845501E-02 1 11.6418341179 -2.17978662007 0.150641401029 16 20.7317846783 -3.36204210634 0.163987391502 8 22.7051478607 -1.81249173186 1.17548489088 8 20.0987699462 -5.76903704384 1.22508771415 7 21.3801516200 -3.82469400623 -2.76690153273 1 20.8048852121 -5.40607792939 -3.62309870587 1 22.6005200302 -2.68935847433 -3.65393602741 6 11.3472294671 2.91626214998 -5.651370344789E-02 8 9.19665552725 1.56522590120 -3.245613991045E-02 6 6.77856962350 2.90016097853 -8.749655544515E-02 1 6.67652246165 4.14495637472 1.52674105702 1 6.68550306343 4.02593032336 -1.78755983989 6 4.73704841955 0.874096953142 -1.969560988444E-02 1 4.98065500262 -0.246176556333 1.67702200013 1 4.98893864106 -0.366141886882 -1.62964287548 8 11.3745245833 5.19521098803 -0.135688264964 6 2.07271853085 2.04310727132 -6.880948422220E-02 1 1.85408721205 3.17805095775 -1.76397604453 1 1.84594669663 3.29720682002 1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 -1.24962477650 -1.61609500694 1 -1.86381093455 0.848750824383 -3.507941596838E-02 1 0.158113135931 -1.12952769314 1.70286806009 ------------------------------------------------ 6 8.11007909745 -8.556435899195E-18 -0.100897097935 6 2.86329951331 -2.922536611154E-18 -7.349736953064E-02 6 6.80777063774 -2.26567639154 -0.121232299609 6 6.80777063774 2.26567639154 -0.121232299609 6 4.19897121896 2.25839811190 -9.895828809266E-02 6 4.19897121896 -2.25839811190 -9.895828809266E-02 1 7.83682406515 -4.00573551491 -0.201208431763 1 7.83682406515 4.00573551491 -0.201208431763 1 3.19435364603 4.01778780932 -0.125815986880 1 3.19435364603 -4.01778780932 -0.125815986880 16 11.4059109298 -1.222287901647E-17 -6.903234852523E-02 8 12.2226557176 2.36966347735 -1.09351831769 8 12.2226557176 -2.36966347735 -1.09351831769 7 12.1903871090 -2.070990068685E-17 2.87084462677 1 12.5792272181 -1.62848573258 3.74230825804 1 12.5792272181 1.62848573258 3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 -4.336273740756E-18 1.94437378897 1 -0.758564487207 1.65923610975 -0.927043031519 1 -0.758564487207 -1.65923610975 -0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 17.9684279399 -1.54301176377 0.149693423226 6 13.6326730870 1.30132688262 2.138183749743E-02 6 15.6426740929 -2.73563073422 0.189786012449 6 18.1438750705 1.06604052147 9.962044033802E-02 6 15.9621451629 2.49057033907 2.523220981312E-02 6 13.4610204855 -1.30509459913 0.117287370756 1 15.5573431966 -4.75166639252 0.321088296824 1 19.9617870444 1.94922244854 0.163264253275 1 16.0314585342 4.51140907128 -1.239461845501E-02 1 11.6418341179 -2.17978662007 0.150641401029 16 20.7317846783 -3.36204210634 0.163987391502 8 22.7051478607 -1.81249173186 1.17548489088 8 20.0987699462 -5.76903704384 1.22508771415 7 21.3801516200 -3.82469400623 -2.76690153273 1 20.8048852121 -5.40607792939 -3.62309870587 1 22.6005200302 -2.68935847433 -3.65393602741 6 11.3472294671 2.91626214998 -5.651370344789E-02 8 9.19665552725 1.56522590120 -3.245613991045E-02 6 6.77856962350 2.90016097853 -8.749655544515E-02 1 6.67652246165 4.14495637472 1.52674105702 1 6.68550306343 4.02593032336 -1.78755983989 6 4.73704841955 0.874096953142 -1.969560988444E-02 1 4.98065500262 -0.246176556333 1.67702200013 1 4.98893864106 -0.366141886882 -1.62964287548 8 11.3745245833 5.19521098803 -0.135688264964 6 2.07271853085 2.04310727132 -6.880948422220E-02 1 1.85408721205 3.17805095775 -1.76397604453 1 1.84594669663 3.29720682002 1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 -1.24962477650 -1.61609500694 1 -1.86381093455 0.848750824383 -3.507941596838E-02 1 0.158113135931 -1.12952769314 1.70286806009 ------------------------------------------------ 6 9.49515614095 1.986230634504E-17 0.330909318726 6 4.54766506655 -1.418482302241E-17 -1.41449070261 6 8.25938767444 2.26624765571 -7.914581718090E-02 6 8.25938767444 -2.26624765571 -7.914581718090E-02 6 5.80247435955 -2.25843288285 -0.956589914867 6 5.80247435955 2.25843288285 -0.956589914867 1 9.20891937494 4.00630432243 0.325801090800 1 9.20891937494 -4.00630432243 0.325801090800 1 4.84800788582 -4.01788928760 -1.27432519389 1 4.84800788582 4.01788928760 -1.27432519389 16 12.6215076530 4.047871219384E-17 1.37421975164 8 13.0597966465 -2.36964987132 2.60912294465 8 13.0597966465 2.36964987132 2.60912294465 7 14.3219760733 5.129921083899E-18 -1.14895839935 1 14.9723537348 1.62851785792 -1.84712919698 1 14.9723537348 -1.62851785792 -1.84712919698 6 1.82011448549 -3.162508651201E-17 -2.28845439361 1 1.46450096442 -1.65231782291 -3.44535547264 1 1.46450096442 1.65231782291 -3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 -1.65855864299 1.15861699465 1 0.312880607522 1.65855864299 1.15861699465 1 -1.95068478995 -1.250653597013E-17 -0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 17.9684279399 -1.54301176377 0.149693423226 6 13.6326730870 1.30132688262 2.138183749743E-02 6 15.6426740929 -2.73563073422 0.189786012449 6 18.1438750705 1.06604052147 9.962044033802E-02 6 15.9621451629 2.49057033907 2.523220981312E-02 6 13.4610204855 -1.30509459913 0.117287370756 1 15.5573431966 -4.75166639252 0.321088296824 1 19.9617870444 1.94922244854 0.163264253275 1 16.0314585342 4.51140907128 -1.239461845501E-02 1 11.6418341179 -2.17978662007 0.150641401029 16 20.7317846783 -3.36204210634 0.163987391502 8 22.7051478607 -1.81249173186 1.17548489088 8 20.0987699462 -5.76903704384 1.22508771415 7 21.3801516200 -3.82469400623 -2.76690153273 1 20.8048852121 -5.40607792939 -3.62309870587 1 22.6005200302 -2.68935847433 -3.65393602741 6 11.3472294671 2.91626214998 -5.651370344789E-02 8 9.19665552725 1.56522590120 -3.245613991045E-02 6 6.77856962350 2.90016097853 -8.749655544515E-02 1 6.67652246165 4.14495637472 1.52674105702 1 6.68550306343 4.02593032336 -1.78755983989 6 4.73704841955 0.874096953142 -1.969560988444E-02 1 4.98065500262 -0.246176556333 1.67702200013 1 4.98893864106 -0.366141886882 -1.62964287548 8 11.3745245833 5.19521098803 -0.135688264964 6 2.07271853085 2.04310727132 -6.880948422220E-02 1 1.85408721205 3.17805095775 -1.76397604453 1 1.84594669663 3.29720682002 1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 -1.24962477650 -1.61609500694 1 -1.86381093455 0.848750824383 -3.507941596838E-02 1 0.158113135931 -1.12952769314 1.70286806009 ------------------------------------------------ 6 12.3462848294 8.276065163872E-20 0.219629035968 6 7.27697590475 -1.666425406161E-18 -1.13352461031 6 11.0821729337 2.26629036351 -9.228879249722E-02 6 11.0821729337 -2.26629036351 -9.228879249722E-02 6 8.56408820998 -2.25853587292 -0.774654122839 6 8.56408820998 2.25853587292 -0.774654122839 1 12.0604999845 4.00629846428 0.237334526856 1 12.0604999845 -4.00629846428 0.237334526856 1 7.58747623906 -4.01782409206 -1.01660875510 1 7.58747623906 4.01782409206 -1.01660875510 16 15.5446672699 1.106855929460E-18 1.01482146618 8 16.0785895276 -2.36961755701 2.21160547802 8 16.0785895276 2.36961755701 2.21160547802 7 17.0423265084 -2.516184840979E-18 -1.63372129060 1 17.6356158799 1.62852220429 -2.38095755132 1 17.6356158799 -1.62852220429 -2.38095755132 6 4.48973225005 -2.504801715792E-18 -1.78668016231 1 4.03784923022 -1.65364233185 -2.91036104922 1 4.03784923022 1.65364233185 -2.91036104922 6 2.84178543494 8.061817684800E-19 0.630150435706 1 3.30689183592 -1.64977444070 1.75284818480 1 3.30689183592 1.64977444070 1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 -1.66081705451 -1.09295879416 1 -1.12447528227 2.345093436379E-18 1.71233470070 1 -0.500643208584 1.66081705451 -1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide ------------------------------------------------ 6 17.9684279399 -1.54301176377 0.149693423226 6 13.6326730870 1.30132688262 2.138183749743E-02 6 15.6426740929 -2.73563073422 0.189786012449 6 18.1438750705 1.06604052147 9.962044033802E-02 6 15.9621451629 2.49057033907 2.523220981312E-02 6 13.4610204855 -1.30509459913 0.117287370756 1 15.5573431966 -4.75166639252 0.321088296824 1 19.9617870444 1.94922244854 0.163264253275 1 16.0314585342 4.51140907128 -1.239461845501E-02 1 11.6418341179 -2.17978662007 0.150641401029 16 20.7317846783 -3.36204210634 0.163987391502 8 22.7051478607 -1.81249173186 1.17548489088 8 20.0987699462 -5.76903704384 1.22508771415 7 21.3801516200 -3.82469400623 -2.76690153273 1 20.8048852121 -5.40607792939 -3.62309870587 1 22.6005200302 -2.68935847433 -3.65393602741 6 11.3472294671 2.91626214998 -5.651370344789E-02 8 9.19665552725 1.56522590120 -3.245613991045E-02 6 6.77856962350 2.90016097853 -8.749655544515E-02 1 6.67652246165 4.14495637472 1.52674105702 1 6.68550306343 4.02593032336 -1.78755983989 6 4.73704841955 0.874096953142 -1.969560988444E-02 1 4.98065500262 -0.246176556333 1.67702200013 1 4.98893864106 -0.366141886882 -1.62964287548 8 11.3745245833 5.19521098803 -0.135688264964 6 2.07271853085 2.04310727132 -6.880948422220E-02 1 1.85408721205 3.17805095775 -1.76397604453 1 1.84594669663 3.29720682002 1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 -1.24962477650 -1.61609500694 1 -1.86381093455 0.848750824383 -3.507941596838E-02 1 0.158113135931 -1.12952769314 1.70286806009 ------------------------------------------------ 6 14.1238159113 -1.214503673567E-17 0.678437661017 6 9.44100667607 -7.329180195868E-17 -1.68836769331 6 12.9508759688 2.26624992338 0.112955994743 6 12.9508759688 -2.26624992338 0.112955994743 6 10.6269754875 -2.25848844080 -1.07270695836 6 10.6269754875 2.25848844080 -1.07270695836 1 13.8404298349 4.00630337757 0.636723693997 1 13.8404298349 -4.00630337757 0.636723693997 1 9.72086351835 -4.01774604637 -1.51016368205 1 9.72086351835 4.01774604637 -1.51016368205 16 17.0896510524 2.469474469544E-17 2.11542048055 8 17.3657436482 -2.36962001365 3.39654871916 8 17.3657436482 2.36962001365 3.39654871916 7 19.1011870389 -4.944166890890E-17 -0.167534197609 1 19.8356986120 1.62853921182 -0.776447021723 1 19.8356986120 -1.62853921182 -0.776447021723 6 6.84711615725 -1.041405701228E-16 -2.90008400935 1 6.63682781461 1.65387609096 -4.09248466188 1 6.63682781461 -1.65387609096 -4.09248466188 6 4.74105840551 -3.748430357849E-17 -0.870168924938 1 4.96583213621 1.65095665328 0.325145161310 1 4.96583213621 -1.65095665328 0.325145161310 6 2.07671001580 -6.693452376398E-17 -2.04129882743 1 1.86017810411 1.65244972578 -3.23844110052 1 1.86017810411 -1.65244972578 -3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 1.66008648645 1.19157111842 1 -1.86482588637 -2.150045959666E-17 -0.848869041688 1 0.161115980412 -1.66008648645 1.19157111842 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide --> 6-*- 6 (6)4-Am-Benzenesulfonamide ------------------------------------------------ 6 17.9684279399 -1.54301176377 0.149693423226 6 13.6326730870 1.30132688262 2.138183749743E-02 6 15.6426740929 -2.73563073422 0.189786012449 6 18.1438750705 1.06604052147 9.962044033802E-02 6 15.9621451629 2.49057033907 2.523220981312E-02 6 13.4610204855 -1.30509459913 0.117287370756 1 15.5573431966 -4.75166639252 0.321088296824 1 19.9617870444 1.94922244854 0.163264253275 1 16.0314585342 4.51140907128 -1.239461845501E-02 1 11.6418341179 -2.17978662007 0.150641401029 16 20.7317846783 -3.36204210634 0.163987391502 8 22.7051478607 -1.81249173186 1.17548489088 8 20.0987699462 -5.76903704384 1.22508771415 7 21.3801516200 -3.82469400623 -2.76690153273 1 20.8048852121 -5.40607792939 -3.62309870587 1 22.6005200302 -2.68935847433 -3.65393602741 6 11.3472294671 2.91626214998 -5.651370344789E-02 8 9.19665552725 1.56522590120 -3.245613991045E-02 6 6.77856962350 2.90016097853 -8.749655544515E-02 1 6.67652246165 4.14495637472 1.52674105702 1 6.68550306343 4.02593032336 -1.78755983989 6 4.73704841955 0.874096953142 -1.969560988444E-02 1 4.98065500262 -0.246176556333 1.67702200013 1 4.98893864106 -0.366141886882 -1.62964287548 8 11.3745245833 5.19521098803 -0.135688264964 6 2.07271853085 2.04310727132 -6.880948422220E-02 1 1.85408721205 3.17805095775 -1.76397604453 1 1.84594669663 3.29720682002 1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 -1.24962477650 -1.61609500694 1 -1.86381093455 0.848750824383 -3.507941596838E-02 1 0.158113135931 -1.12952769314 1.70286806009 ------------------------------------------------ 6 16.9068057473 0.243177970445 -1.059325119563E-16 6 12.0155875324 -1.65600530852 -7.874007219591E-16 6 15.7028346951 -0.252939874960 -2.26622819153 6 15.7028346951 -0.252939874960 2.26622819153 6 13.2672687790 -1.18799231963 2.25851621977 6 13.2672687790 -1.18799231963 -2.25851621977 1 16.6905927723 4.935959543974E-02 -4.00587781127 1 16.6905927723 4.935959543974E-02 4.00587781127 1 12.3418929399 -1.58361797677 4.01758126227 1 12.3418929399 -1.58361797677 -4.01758126227 16 19.9613139677 1.48061075670 3.396565444380E-16 8 21.0975033451 0.827628604396 2.36965497358 8 21.0975033451 0.827628604396 -2.36965497358 7 19.6140817394 4.50363661503 1.520890767875E-15 1 19.6563448244 5.45686048237 -1.62850009449 1 19.6563448244 5.45686048237 1.62850009449 6 9.31463490683 -2.60509907624 -1.124910972962E-15 1 8.98767928251 -3.77103356608 -1.65353820795 1 8.98767928251 -3.77103356608 1.65353820795 6 7.41754404250 -0.378508099205 -2.354035425308E-16 1 7.75886683358 0.788097380015 -1.65185162751 1 7.75886683358 0.788097380015 1.65185162751 6 4.65268631611 -1.28701345345 -5.563510498846E-16 1 4.32004736793 -2.45842354097 -1.65339251008 1 4.32004736793 -2.45842354097 1.65339251008 6 2.76072678768 0.925807775628 3.277337893163E-16 1 3.09073708924 2.09665994535 -1.65204135600 1 3.09073708924 2.09665994535 1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 -1.14184653845 -1.66034613480 1 -1.30590878374 1.57901648689 6.303379891292E-16 1 -0.377248445559 -1.14184653845 1.66034613480 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide ------------------------------------------------ 6 17.9684279399 -1.54301176377 0.149693423226 6 13.6326730870 1.30132688262 2.138183749743E-02 6 15.6426740929 -2.73563073422 0.189786012449 6 18.1438750705 1.06604052147 9.962044033802E-02 6 15.9621451629 2.49057033907 2.523220981312E-02 6 13.4610204855 -1.30509459913 0.117287370756 1 15.5573431966 -4.75166639252 0.321088296824 1 19.9617870444 1.94922244854 0.163264253275 1 16.0314585342 4.51140907128 -1.239461845501E-02 1 11.6418341179 -2.17978662007 0.150641401029 16 20.7317846783 -3.36204210634 0.163987391502 8 22.7051478607 -1.81249173186 1.17548489088 8 20.0987699462 -5.76903704384 1.22508771415 7 21.3801516200 -3.82469400623 -2.76690153273 1 20.8048852121 -5.40607792939 -3.62309870587 1 22.6005200302 -2.68935847433 -3.65393602741 6 11.3472294671 2.91626214998 -5.651370344789E-02 8 9.19665552725 1.56522590120 -3.245613991045E-02 6 6.77856962350 2.90016097853 -8.749655544515E-02 1 6.67652246165 4.14495637472 1.52674105702 1 6.68550306343 4.02593032336 -1.78755983989 6 4.73704841955 0.874096953142 -1.969560988444E-02 1 4.98065500262 -0.246176556333 1.67702200013 1 4.98893864106 -0.366141886882 -1.62964287548 8 11.3745245833 5.19521098803 -0.135688264964 6 2.07271853085 2.04310727132 -6.880948422220E-02 1 1.85408721205 3.17805095775 -1.76397604453 1 1.84594669663 3.29720682002 1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 -1.24962477650 -1.61609500694 1 -1.86381093455 0.848750824383 -3.507941596838E-02 1 0.158113135931 -1.12952769314 1.70286806009 ------------------------------------------------ 6 12.0127056291 0.467319191248 -0.111806432972 6 6.97352093600 -0.759917308701 -4.748266917407E-02 6 10.2217532895 2.37079219426 -0.152809003460 6 11.3033419938 -2.04980757052 -9.307700569057E-02 6 8.76972951282 -2.66113662451 -5.092383423729E-02 6 7.68607351310 1.75397861179 -0.112223563757 1 10.8183018721 4.29997421278 -0.259688127616 1 12.7207799808 -3.49060386186 -0.155267676093 1 8.15790328645 -4.58878364063 -3.776105769249E-02 1 6.26630294078 3.18887845369 -0.146456888627 16 15.2263520177 1.25494370756 -8.406950718910E-02 8 16.5763713396 -0.857729096636 -1.09992283794 8 15.4471228542 3.74394477194 -1.12115495093 7 15.9595091226 1.44681230628 2.85648386684 1 15.9368640683 3.12142107712 3.72820018659 1 16.7225609771 -3.868535428217E-02 3.73740008869 6 4.28110783217 -1.51706821998 -4.380793909740E-03 8 3.53735775286 -3.67127241182 4.627237069106E-02 8 2.70645115658 0.479140449071 -2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 -1.08656629775 -1.64022531142 1 -0.866069129495 1.83937203385 -2.906081667564E-02 1 -0.516390062658 -1.02531407580 1.68530034526 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide ------------------------------------------------ 6 17.9684279399 -1.54301176377 0.149693423226 6 13.6326730870 1.30132688262 2.138183749743E-02 6 15.6426740929 -2.73563073422 0.189786012449 6 18.1438750705 1.06604052147 9.962044033802E-02 6 15.9621451629 2.49057033907 2.523220981312E-02 6 13.4610204855 -1.30509459913 0.117287370756 1 15.5573431966 -4.75166639252 0.321088296824 1 19.9617870444 1.94922244854 0.163264253275 1 16.0314585342 4.51140907128 -1.239461845501E-02 1 11.6418341179 -2.17978662007 0.150641401029 16 20.7317846783 -3.36204210634 0.163987391502 8 22.7051478607 -1.81249173186 1.17548489088 8 20.0987699462 -5.76903704384 1.22508771415 7 21.3801516200 -3.82469400623 -2.76690153273 1 20.8048852121 -5.40607792939 -3.62309870587 1 22.6005200302 -2.68935847433 -3.65393602741 6 11.3472294671 2.91626214998 -5.651370344789E-02 8 9.19665552725 1.56522590120 -3.245613991045E-02 6 6.77856962350 2.90016097853 -8.749655544515E-02 1 6.67652246165 4.14495637472 1.52674105702 1 6.68550306343 4.02593032336 -1.78755983989 6 4.73704841955 0.874096953142 -1.969560988444E-02 1 4.98065500262 -0.246176556333 1.67702200013 1 4.98893864106 -0.366141886882 -1.62964287548 8 11.3745245833 5.19521098803 -0.135688264964 6 2.07271853085 2.04310727132 -6.880948422220E-02 1 1.85408721205 3.17805095775 -1.76397604453 1 1.84594669663 3.29720682002 1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 -1.24962477650 -1.61609500694 1 -1.86381093455 0.848750824383 -3.507941596838E-02 1 0.158113135931 -1.12952769314 1.70286806009 ------------------------------------------------ 6 9.25649635012 1.80846527957 9.292601243073E-02 6 4.49653007628 -0.252386364964 5.563329730033E-02 6 8.97661510100 -0.790299344150 0.119114341606 6 7.17209172246 3.38798511785 0.102169685012 6 4.78224687467 2.34735739516 7.329320901833E-02 6 6.58177520099 -1.82758693433 9.237860791359E-02 1 10.6170947155 -1.96958871556 0.204027651419 1 7.43391914542 5.39176377246 0.175377186833 1 3.13114524169 3.51529832560 8.157662744579E-02 1 6.31465409765 -3.82860234946 0.115984151186 16 12.2941652834 3.11903583590 4.829871274683E-02 8 12.1064542125 5.60990047425 1.08680327140 8 13.9812398042 1.25851015147 1.05437846650 7 12.9682120575 3.43319864541 -2.89600901229 1 13.9516579638 2.09107340260 -3.78830088073 1 12.6725674087 5.08557002470 -3.76041888038 6 1.89086902464 -1.27466774715 2.847109335790E-02 8 1.83775228380 -3.81438709360 3.668617006514E-02 6 -0.611334772331 -5.09553939230 2.759474634627E-02 1 -1.67193584771 -4.49484752416 1.66284241111 1 -1.63290597596 -4.54650767572 -1.65033477868 6 -2.628882640013E-02 -7.90958602311 7.826139859268E-02 1 1.04055063371 -8.37091267308 1.76016592182 1 1.08118978950 -8.42305482102 -1.56183569609 1 -1.76381943467 -8.99262746496 7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide ------------------------------------------------ 6 17.9684279399 -1.54301176377 0.149693423226 6 13.6326730870 1.30132688262 2.138183749743E-02 6 15.6426740929 -2.73563073422 0.189786012449 6 18.1438750705 1.06604052147 9.962044033802E-02 6 15.9621451629 2.49057033907 2.523220981312E-02 6 13.4610204855 -1.30509459913 0.117287370756 1 15.5573431966 -4.75166639252 0.321088296824 1 19.9617870444 1.94922244854 0.163264253275 1 16.0314585342 4.51140907128 -1.239461845501E-02 1 11.6418341179 -2.17978662007 0.150641401029 16 20.7317846783 -3.36204210634 0.163987391502 8 22.7051478607 -1.81249173186 1.17548489088 8 20.0987699462 -5.76903704384 1.22508771415 7 21.3801516200 -3.82469400623 -2.76690153273 1 20.8048852121 -5.40607792939 -3.62309870587 1 22.6005200302 -2.68935847433 -3.65393602741 6 11.3472294671 2.91626214998 -5.651370344789E-02 8 9.19665552725 1.56522590120 -3.245613991045E-02 6 6.77856962350 2.90016097853 -8.749655544515E-02 1 6.67652246165 4.14495637472 1.52674105702 1 6.68550306343 4.02593032336 -1.78755983989 6 4.73704841955 0.874096953142 -1.969560988444E-02 1 4.98065500262 -0.246176556333 1.67702200013 1 4.98893864106 -0.366141886882 -1.62964287548 8 11.3745245833 5.19521098803 -0.135688264964 6 2.07271853085 2.04310727132 -6.880948422220E-02 1 1.85408721205 3.17805095775 -1.76397604453 1 1.84594669663 3.29720682002 1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 -1.24962477650 -1.61609500694 1 -1.86381093455 0.848750824383 -3.507941596838E-02 1 0.158113135931 -1.12952769314 1.70286806009 ------------------------------------------------ 6 16.2691799750 -0.861123974289 0.131186883282 6 11.5121945621 1.20427204035 2.028457912686E-02 6 14.1804039648 -2.43212467262 0.170027955664 6 15.9979271981 1.73975638478 9.085209513991E-02 6 13.6053532164 2.77244247494 2.499575182470E-02 6 11.7868447762 -1.39343219905 0.106330752902 1 14.4397111888 -4.43379554927 0.293347888880 1 17.6391790059 2.91927288464 0.155077522013 1 13.3297352136 4.77580185192 -5.280276989638E-03 1 10.1431555114 -2.56525744119 0.138937307621 16 19.3020004227 -2.18348775204 0.134299477251 8 20.9842079738 -0.325733494236 1.15270139607 8 19.0886880558 -4.66812122535 1.18366001761 7 20.0154046741 -2.51391842666 -2.79896253743 1 19.7140075146 -4.16469009410 -3.66423830225 1 21.0264342221 -1.18451012097 -3.67951649332 6 8.98524438142 2.40710164988 -4.683800638368E-02 8 8.62404088094 4.65762117820 -0.119145313158 8 7.09521260910 0.710056286046 -2.027193485411E-02 6 4.48588899364 1.61442012240 -6.043557639931E-02 1 4.18402977757 2.83160191470 1.54997335048 1 4.18851510037 2.69852442655 -1.76429702456 6 2.81774658260 -0.727728392362 3.131445935321E-02 1 3.26511634385 -1.91346199534 -1.57535965464 1 3.26258594609 -1.78075553052 1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 -1.67378352623 6.601676572586E-02 1 -0.468128283684 1.03824231167 -1.70442814436 1 -0.470300494955 1.17038221894 1.61582801791 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 11-*- 11 (11)4-COOAm-benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 20.7940103927 -1.18292577645 0.135748344237 6 16.2553748543 1.32561650568 1.898358840442E-02 6 18.5653398548 -2.54782901355 0.185991958815 6 20.7714899222 1.43194635192 8.119491494154E-02 6 18.4881809521 2.68752983337 1.268047644927E-02 6 16.2816292072 -1.28621992460 0.119293218161 1 18.6330826801 -4.56430368467 0.320494210942 1 22.5176825572 2.45010794741 0.136961916771 1 18.4044365481 4.70774521966 -2.810073710092E-02 1 14.5338256999 -2.29576106594 0.160475355254 16 23.6871881374 -2.78742501086 0.142668366748 8 25.5411157417 -1.09148804236 1.14525598407 8 23.2417958312 -5.23383132605 1.20898679380 7 24.3589360690 -3.20370291968 -2.78991772878 1 23.9091509095 -4.82809819444 -3.64057141352 1 25.4806790933 -1.97605258766 -3.68426382740 6 13.8540126043 2.76296861394 -5.303453877654E-02 8 11.8120703378 1.25321399795 -2.008307004224E-02 6 9.29901118039 2.40045989565 -6.905102121977E-02 1 9.10783205313 3.63690786172 1.54345602431 1 9.11551718001 3.51245649883 -1.77073227684 6 7.41759711942 0.225163913710 8.381954772778E-03 1 7.75164296187 -0.869303738938 1.70652575015 1 7.75918159098 -0.994644284689 -1.60061304784 8 13.7086109469 5.03734953143 -0.135183415616 6 4.67345055952 1.19177646373 -3.443655708758E-02 1 4.36347393069 2.30467041402 -1.73186035831 1 4.35593551642 2.42824308851 1.57363269202 6 2.73979046465 -0.982603093803 4.252073111888E-02 1 3.05064854136 -2.21942573316 -1.56427419659 1 3.04356406783 -2.09606747732 1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 1.08637600396 -1.70287631133 1 -0.357289139629 1.20966193729 1.61602453331 1 -1.33734281519 -1.55130517970 5.488380719168E-02 ------------------------------------------------ 6 5.04401540573 5.065785560124E-17 -8.565768416162E-02 6 9.27990108396 9.396277336371E-17 2.94283641892 6 6.11045552513 2.27247789332 0.644730598780 6 6.11045552513 -2.27247789332 0.644730598780 6 8.22908048709 -2.26870089799 2.17155776959 6 8.22908048709 2.26870089799 2.17155776959 1 5.30807717985 4.00751998316 -1.696942951703E-02 1 5.30807717985 -4.00751998316 -1.696942951703E-02 1 9.06580730279 -4.02284755065 2.73828333892 1 9.06580730279 4.02284755065 2.73828333892 1 10.9268739609 1.108006638944E-16 4.12165702328 16 2.32566022845 2.288454205577E-17 -1.95862643609 8 2.24799399215 -2.36940193927 -3.26556451771 8 2.24799399215 2.36940193927 -3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 1.62837329388 0.493096431600 1 -0.817594738155 -1.62837329388 0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 11-*- 11 (11)4-COOAm-benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 20.7940103927 -1.18292577645 0.135748344237 6 16.2553748543 1.32561650568 1.898358840442E-02 6 18.5653398548 -2.54782901355 0.185991958815 6 20.7714899222 1.43194635192 8.119491494154E-02 6 18.4881809521 2.68752983337 1.268047644927E-02 6 16.2816292072 -1.28621992460 0.119293218161 1 18.6330826801 -4.56430368467 0.320494210942 1 22.5176825572 2.45010794741 0.136961916771 1 18.4044365481 4.70774521966 -2.810073710092E-02 1 14.5338256999 -2.29576106594 0.160475355254 16 23.6871881374 -2.78742501086 0.142668366748 8 25.5411157417 -1.09148804236 1.14525598407 8 23.2417958312 -5.23383132605 1.20898679380 7 24.3589360690 -3.20370291968 -2.78991772878 1 23.9091509095 -4.82809819444 -3.64057141352 1 25.4806790933 -1.97605258766 -3.68426382740 6 13.8540126043 2.76296861394 -5.303453877654E-02 8 11.8120703378 1.25321399795 -2.008307004224E-02 6 9.29901118039 2.40045989565 -6.905102121977E-02 1 9.10783205313 3.63690786172 1.54345602431 1 9.11551718001 3.51245649883 -1.77073227684 6 7.41759711942 0.225163913710 8.381954772778E-03 1 7.75164296187 -0.869303738938 1.70652575015 1 7.75918159098 -0.994644284689 -1.60061304784 8 13.7086109469 5.03734953143 -0.135183415616 6 4.67345055952 1.19177646373 -3.443655708758E-02 1 4.36347393069 2.30467041402 -1.73186035831 1 4.35593551642 2.42824308851 1.57363269202 6 2.73979046465 -0.982603093803 4.252073111888E-02 1 3.05064854136 -2.21942573316 -1.56427419659 1 3.04356406783 -2.09606747732 1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 1.08637600396 -1.70287631133 1 -0.357289139629 1.20966193729 1.61602453331 1 -1.33734281519 -1.55130517970 5.488380719168E-02 ------------------------------------------------ 6 8.11007909745 8.556435899195E-18 0.100897097935 6 2.86329951331 2.922536611154E-18 7.349736953064E-02 6 6.80777063774 2.26567639154 0.121232299609 6 6.80777063774 -2.26567639154 0.121232299609 6 4.19897121896 -2.25839811190 9.895828809266E-02 6 4.19897121896 2.25839811190 9.895828809266E-02 1 7.83682406515 4.00573551491 0.201208431763 1 7.83682406515 -4.00573551491 0.201208431763 1 3.19435364603 -4.01778780932 0.125815986880 1 3.19435364603 4.01778780932 0.125815986880 16 11.4059109298 1.222287901647E-17 6.903234852523E-02 8 12.2226557176 -2.36966347735 1.09351831769 8 12.2226557176 2.36966347735 1.09351831769 7 12.1903871090 2.070990068685E-17 -2.87084462677 1 12.5792272181 1.62848573258 -3.74230825804 1 12.5792272181 -1.62848573258 -3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 4.336273740756E-18 -1.94437378897 1 -0.758564487207 -1.65923610975 0.927043031519 1 -0.758564487207 1.65923610975 0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 11-*- 11 (11)4-COOAm-benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 20.7940103927 -1.18292577645 0.135748344237 6 16.2553748543 1.32561650568 1.898358840442E-02 6 18.5653398548 -2.54782901355 0.185991958815 6 20.7714899222 1.43194635192 8.119491494154E-02 6 18.4881809521 2.68752983337 1.268047644927E-02 6 16.2816292072 -1.28621992460 0.119293218161 1 18.6330826801 -4.56430368467 0.320494210942 1 22.5176825572 2.45010794741 0.136961916771 1 18.4044365481 4.70774521966 -2.810073710092E-02 1 14.5338256999 -2.29576106594 0.160475355254 16 23.6871881374 -2.78742501086 0.142668366748 8 25.5411157417 -1.09148804236 1.14525598407 8 23.2417958312 -5.23383132605 1.20898679380 7 24.3589360690 -3.20370291968 -2.78991772878 1 23.9091509095 -4.82809819444 -3.64057141352 1 25.4806790933 -1.97605258766 -3.68426382740 6 13.8540126043 2.76296861394 -5.303453877654E-02 8 11.8120703378 1.25321399795 -2.008307004224E-02 6 9.29901118039 2.40045989565 -6.905102121977E-02 1 9.10783205313 3.63690786172 1.54345602431 1 9.11551718001 3.51245649883 -1.77073227684 6 7.41759711942 0.225163913710 8.381954772778E-03 1 7.75164296187 -0.869303738938 1.70652575015 1 7.75918159098 -0.994644284689 -1.60061304784 8 13.7086109469 5.03734953143 -0.135183415616 6 4.67345055952 1.19177646373 -3.443655708758E-02 1 4.36347393069 2.30467041402 -1.73186035831 1 4.35593551642 2.42824308851 1.57363269202 6 2.73979046465 -0.982603093803 4.252073111888E-02 1 3.05064854136 -2.21942573316 -1.56427419659 1 3.04356406783 -2.09606747732 1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 1.08637600396 -1.70287631133 1 -0.357289139629 1.20966193729 1.61602453331 1 -1.33734281519 -1.55130517970 5.488380719168E-02 ------------------------------------------------ 6 9.49515614095 -1.986230634504E-17 -0.330909318726 6 4.54766506655 1.418482302241E-17 1.41449070261 6 8.25938767444 -2.26624765571 7.914581718090E-02 6 8.25938767444 2.26624765571 7.914581718090E-02 6 5.80247435955 2.25843288285 0.956589914867 6 5.80247435955 -2.25843288285 0.956589914867 1 9.20891937494 -4.00630432243 -0.325801090800 1 9.20891937494 4.00630432243 -0.325801090800 1 4.84800788582 4.01788928760 1.27432519389 1 4.84800788582 -4.01788928760 1.27432519389 16 12.6215076530 -4.047871219384E-17 -1.37421975164 8 13.0597966465 2.36964987132 -2.60912294465 8 13.0597966465 -2.36964987132 -2.60912294465 7 14.3219760733 -5.129921083899E-18 1.14895839935 1 14.9723537348 -1.62851785792 1.84712919698 1 14.9723537348 1.62851785792 1.84712919698 6 1.82011448549 3.162508651201E-17 2.28845439361 1 1.46450096442 1.65231782291 3.44535547264 1 1.46450096442 -1.65231782291 3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 1.65855864299 -1.15861699465 1 0.312880607522 -1.65855864299 -1.15861699465 1 -1.95068478995 1.250653597013E-17 0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 11-*- 11 (11)4-COOAm-benzenesulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 20.7940103927 -1.18292577645 0.135748344237 6 16.2553748543 1.32561650568 1.898358840442E-02 6 18.5653398548 -2.54782901355 0.185991958815 6 20.7714899222 1.43194635192 8.119491494154E-02 6 18.4881809521 2.68752983337 1.268047644927E-02 6 16.2816292072 -1.28621992460 0.119293218161 1 18.6330826801 -4.56430368467 0.320494210942 1 22.5176825572 2.45010794741 0.136961916771 1 18.4044365481 4.70774521966 -2.810073710092E-02 1 14.5338256999 -2.29576106594 0.160475355254 16 23.6871881374 -2.78742501086 0.142668366748 8 25.5411157417 -1.09148804236 1.14525598407 8 23.2417958312 -5.23383132605 1.20898679380 7 24.3589360690 -3.20370291968 -2.78991772878 1 23.9091509095 -4.82809819444 -3.64057141352 1 25.4806790933 -1.97605258766 -3.68426382740 6 13.8540126043 2.76296861394 -5.303453877654E-02 8 11.8120703378 1.25321399795 -2.008307004224E-02 6 9.29901118039 2.40045989565 -6.905102121977E-02 1 9.10783205313 3.63690786172 1.54345602431 1 9.11551718001 3.51245649883 -1.77073227684 6 7.41759711942 0.225163913710 8.381954772778E-03 1 7.75164296187 -0.869303738938 1.70652575015 1 7.75918159098 -0.994644284689 -1.60061304784 8 13.7086109469 5.03734953143 -0.135183415616 6 4.67345055952 1.19177646373 -3.443655708758E-02 1 4.36347393069 2.30467041402 -1.73186035831 1 4.35593551642 2.42824308851 1.57363269202 6 2.73979046465 -0.982603093803 4.252073111888E-02 1 3.05064854136 -2.21942573316 -1.56427419659 1 3.04356406783 -2.09606747732 1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 1.08637600396 -1.70287631133 1 -0.357289139629 1.20966193729 1.61602453331 1 -1.33734281519 -1.55130517970 5.488380719168E-02 ------------------------------------------------ 6 12.3462848294 8.276065163872E-20 0.219629035968 6 7.27697590475 -1.666425406161E-18 -1.13352461031 6 11.0821729337 2.26629036351 -9.228879249722E-02 6 11.0821729337 -2.26629036351 -9.228879249722E-02 6 8.56408820998 -2.25853587292 -0.774654122839 6 8.56408820998 2.25853587292 -0.774654122839 1 12.0604999845 4.00629846428 0.237334526856 1 12.0604999845 -4.00629846428 0.237334526856 1 7.58747623906 -4.01782409206 -1.01660875510 1 7.58747623906 4.01782409206 -1.01660875510 16 15.5446672699 1.106855929460E-18 1.01482146618 8 16.0785895276 -2.36961755701 2.21160547802 8 16.0785895276 2.36961755701 2.21160547802 7 17.0423265084 -2.516184840979E-18 -1.63372129060 1 17.6356158799 1.62852220429 -2.38095755132 1 17.6356158799 -1.62852220429 -2.38095755132 6 4.48973225005 -2.504801715792E-18 -1.78668016231 1 4.03784923022 -1.65364233185 -2.91036104922 1 4.03784923022 1.65364233185 -2.91036104922 6 2.84178543494 8.061817684800E-19 0.630150435706 1 3.30689183592 -1.64977444070 1.75284818480 1 3.30689183592 1.64977444070 1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 -1.66081705451 -1.09295879416 1 -1.12447528227 2.345093436379E-18 1.71233470070 1 -0.500643208584 1.66081705451 -1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 11-*- 11 (11)4-COOAm-benzenesulfonamide --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide ------------------------------------------------ 6 20.7940103927 -1.18292577645 0.135748344237 6 16.2553748543 1.32561650568 1.898358840442E-02 6 18.5653398548 -2.54782901355 0.185991958815 6 20.7714899222 1.43194635192 8.119491494154E-02 6 18.4881809521 2.68752983337 1.268047644927E-02 6 16.2816292072 -1.28621992460 0.119293218161 1 18.6330826801 -4.56430368467 0.320494210942 1 22.5176825572 2.45010794741 0.136961916771 1 18.4044365481 4.70774521966 -2.810073710092E-02 1 14.5338256999 -2.29576106594 0.160475355254 16 23.6871881374 -2.78742501086 0.142668366748 8 25.5411157417 -1.09148804236 1.14525598407 8 23.2417958312 -5.23383132605 1.20898679380 7 24.3589360690 -3.20370291968 -2.78991772878 1 23.9091509095 -4.82809819444 -3.64057141352 1 25.4806790933 -1.97605258766 -3.68426382740 6 13.8540126043 2.76296861394 -5.303453877654E-02 8 11.8120703378 1.25321399795 -2.008307004224E-02 6 9.29901118039 2.40045989565 -6.905102121977E-02 1 9.10783205313 3.63690786172 1.54345602431 1 9.11551718001 3.51245649883 -1.77073227684 6 7.41759711942 0.225163913710 8.381954772778E-03 1 7.75164296187 -0.869303738938 1.70652575015 1 7.75918159098 -0.994644284689 -1.60061304784 8 13.7086109469 5.03734953143 -0.135183415616 6 4.67345055952 1.19177646373 -3.443655708758E-02 1 4.36347393069 2.30467041402 -1.73186035831 1 4.35593551642 2.42824308851 1.57363269202 6 2.73979046465 -0.982603093803 4.252073111888E-02 1 3.05064854136 -2.21942573316 -1.56427419659 1 3.04356406783 -2.09606747732 1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 1.08637600396 -1.70287631133 1 -0.357289139629 1.20966193729 1.61602453331 1 -1.33734281519 -1.55130517970 5.488380719168E-02 ------------------------------------------------ 6 14.1238159113 -1.214503673567E-17 0.678437661017 6 9.44100667607 -7.329180195868E-17 -1.68836769331 6 12.9508759688 2.26624992338 0.112955994743 6 12.9508759688 -2.26624992338 0.112955994743 6 10.6269754875 -2.25848844080 -1.07270695836 6 10.6269754875 2.25848844080 -1.07270695836 1 13.8404298349 4.00630337757 0.636723693997 1 13.8404298349 -4.00630337757 0.636723693997 1 9.72086351835 -4.01774604637 -1.51016368205 1 9.72086351835 4.01774604637 -1.51016368205 16 17.0896510524 2.469474469544E-17 2.11542048055 8 17.3657436482 -2.36962001365 3.39654871916 8 17.3657436482 2.36962001365 3.39654871916 7 19.1011870389 -4.944166890890E-17 -0.167534197609 1 19.8356986120 1.62853921182 -0.776447021723 1 19.8356986120 -1.62853921182 -0.776447021723 6 6.84711615725 -1.041405701228E-16 -2.90008400935 1 6.63682781461 1.65387609096 -4.09248466188 1 6.63682781461 -1.65387609096 -4.09248466188 6 4.74105840551 -3.748430357849E-17 -0.870168924938 1 4.96583213621 1.65095665328 0.325145161310 1 4.96583213621 -1.65095665328 0.325145161310 6 2.07671001580 -6.693452376398E-17 -2.04129882743 1 1.86017810411 1.65244972578 -3.23844110052 1 1.86017810411 -1.65244972578 -3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 1.66008648645 1.19157111842 1 -1.86482588637 -2.150045959666E-17 -0.848869041688 1 0.161115980412 -1.66008648645 1.19157111842 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 11-*- 11 (11)4-COOAm-benzenesulfonamide --> 6-*- 6 (6)4-Am-Benzenesulfonamide ------------------------------------------------ 6 20.7940103927 -1.18292577645 0.135748344237 6 16.2553748543 1.32561650568 1.898358840442E-02 6 18.5653398548 -2.54782901355 0.185991958815 6 20.7714899222 1.43194635192 8.119491494154E-02 6 18.4881809521 2.68752983337 1.268047644927E-02 6 16.2816292072 -1.28621992460 0.119293218161 1 18.6330826801 -4.56430368467 0.320494210942 1 22.5176825572 2.45010794741 0.136961916771 1 18.4044365481 4.70774521966 -2.810073710092E-02 1 14.5338256999 -2.29576106594 0.160475355254 16 23.6871881374 -2.78742501086 0.142668366748 8 25.5411157417 -1.09148804236 1.14525598407 8 23.2417958312 -5.23383132605 1.20898679380 7 24.3589360690 -3.20370291968 -2.78991772878 1 23.9091509095 -4.82809819444 -3.64057141352 1 25.4806790933 -1.97605258766 -3.68426382740 6 13.8540126043 2.76296861394 -5.303453877654E-02 8 11.8120703378 1.25321399795 -2.008307004224E-02 6 9.29901118039 2.40045989565 -6.905102121977E-02 1 9.10783205313 3.63690786172 1.54345602431 1 9.11551718001 3.51245649883 -1.77073227684 6 7.41759711942 0.225163913710 8.381954772778E-03 1 7.75164296187 -0.869303738938 1.70652575015 1 7.75918159098 -0.994644284689 -1.60061304784 8 13.7086109469 5.03734953143 -0.135183415616 6 4.67345055952 1.19177646373 -3.443655708758E-02 1 4.36347393069 2.30467041402 -1.73186035831 1 4.35593551642 2.42824308851 1.57363269202 6 2.73979046465 -0.982603093803 4.252073111888E-02 1 3.05064854136 -2.21942573316 -1.56427419659 1 3.04356406783 -2.09606747732 1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 1.08637600396 -1.70287631133 1 -0.357289139629 1.20966193729 1.61602453331 1 -1.33734281519 -1.55130517970 5.488380719168E-02 ------------------------------------------------ 6 16.9068057473 0.243177970445 -1.059325119563E-16 6 12.0155875324 -1.65600530852 -7.874007219591E-16 6 15.7028346951 -0.252939874960 -2.26622819153 6 15.7028346951 -0.252939874960 2.26622819153 6 13.2672687790 -1.18799231963 2.25851621977 6 13.2672687790 -1.18799231963 -2.25851621977 1 16.6905927723 4.935959543974E-02 -4.00587781127 1 16.6905927723 4.935959543974E-02 4.00587781127 1 12.3418929399 -1.58361797677 4.01758126227 1 12.3418929399 -1.58361797677 -4.01758126227 16 19.9613139677 1.48061075670 3.396565444380E-16 8 21.0975033451 0.827628604396 2.36965497358 8 21.0975033451 0.827628604396 -2.36965497358 7 19.6140817394 4.50363661503 1.520890767875E-15 1 19.6563448244 5.45686048237 -1.62850009449 1 19.6563448244 5.45686048237 1.62850009449 6 9.31463490683 -2.60509907624 -1.124910972962E-15 1 8.98767928251 -3.77103356608 -1.65353820795 1 8.98767928251 -3.77103356608 1.65353820795 6 7.41754404250 -0.378508099205 -2.354035425308E-16 1 7.75886683358 0.788097380015 -1.65185162751 1 7.75886683358 0.788097380015 1.65185162751 6 4.65268631611 -1.28701345345 -5.563510498846E-16 1 4.32004736793 -2.45842354097 -1.65339251008 1 4.32004736793 -2.45842354097 1.65339251008 6 2.76072678768 0.925807775628 3.277337893163E-16 1 3.09073708924 2.09665994535 -1.65204135600 1 3.09073708924 2.09665994535 1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 -1.14184653845 -1.66034613480 1 -1.30590878374 1.57901648689 6.303379891292E-16 1 -0.377248445559 -1.14184653845 1.66034613480 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 11-*- 11 (11)4-COOAm-benzenesulfonamide --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide ------------------------------------------------ 6 20.7940103927 -1.18292577645 0.135748344237 6 16.2553748543 1.32561650568 1.898358840442E-02 6 18.5653398548 -2.54782901355 0.185991958815 6 20.7714899222 1.43194635192 8.119491494154E-02 6 18.4881809521 2.68752983337 1.268047644927E-02 6 16.2816292072 -1.28621992460 0.119293218161 1 18.6330826801 -4.56430368467 0.320494210942 1 22.5176825572 2.45010794741 0.136961916771 1 18.4044365481 4.70774521966 -2.810073710092E-02 1 14.5338256999 -2.29576106594 0.160475355254 16 23.6871881374 -2.78742501086 0.142668366748 8 25.5411157417 -1.09148804236 1.14525598407 8 23.2417958312 -5.23383132605 1.20898679380 7 24.3589360690 -3.20370291968 -2.78991772878 1 23.9091509095 -4.82809819444 -3.64057141352 1 25.4806790933 -1.97605258766 -3.68426382740 6 13.8540126043 2.76296861394 -5.303453877654E-02 8 11.8120703378 1.25321399795 -2.008307004224E-02 6 9.29901118039 2.40045989565 -6.905102121977E-02 1 9.10783205313 3.63690786172 1.54345602431 1 9.11551718001 3.51245649883 -1.77073227684 6 7.41759711942 0.225163913710 8.381954772778E-03 1 7.75164296187 -0.869303738938 1.70652575015 1 7.75918159098 -0.994644284689 -1.60061304784 8 13.7086109469 5.03734953143 -0.135183415616 6 4.67345055952 1.19177646373 -3.443655708758E-02 1 4.36347393069 2.30467041402 -1.73186035831 1 4.35593551642 2.42824308851 1.57363269202 6 2.73979046465 -0.982603093803 4.252073111888E-02 1 3.05064854136 -2.21942573316 -1.56427419659 1 3.04356406783 -2.09606747732 1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 1.08637600396 -1.70287631133 1 -0.357289139629 1.20966193729 1.61602453331 1 -1.33734281519 -1.55130517970 5.488380719168E-02 ------------------------------------------------ 6 12.0127056291 -0.467319191248 0.111806432972 6 6.97352093600 0.759917308701 4.748266917407E-02 6 10.2217532895 -2.37079219426 0.152809003460 6 11.3033419938 2.04980757052 9.307700569057E-02 6 8.76972951282 2.66113662451 5.092383423729E-02 6 7.68607351310 -1.75397861179 0.112223563757 1 10.8183018721 -4.29997421278 0.259688127616 1 12.7207799808 3.49060386186 0.155267676093 1 8.15790328645 4.58878364063 3.776105769249E-02 1 6.26630294078 -3.18887845369 0.146456888627 16 15.2263520177 -1.25494370756 8.406950718910E-02 8 16.5763713396 0.857729096636 1.09992283794 8 15.4471228542 -3.74394477194 1.12115495093 7 15.9595091226 -1.44681230628 -2.85648386684 1 15.9368640683 -3.12142107712 -3.72820018659 1 16.7225609771 3.868535428217E-02 -3.73740008869 6 4.28110783217 1.51706821998 4.380793909740E-03 8 3.53735775286 3.67127241182 -4.627237069106E-02 8 2.70645115658 -0.479140449071 2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 1.08656629775 1.64022531142 1 -0.866069129495 -1.83937203385 2.906081667564E-02 1 -0.516390062658 1.02531407580 -1.68530034526 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 11-*- 11 (11)4-COOAm-benzenesulfonamide --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide ------------------------------------------------ 6 20.7940103927 -1.18292577645 0.135748344237 6 16.2553748543 1.32561650568 1.898358840442E-02 6 18.5653398548 -2.54782901355 0.185991958815 6 20.7714899222 1.43194635192 8.119491494154E-02 6 18.4881809521 2.68752983337 1.268047644927E-02 6 16.2816292072 -1.28621992460 0.119293218161 1 18.6330826801 -4.56430368467 0.320494210942 1 22.5176825572 2.45010794741 0.136961916771 1 18.4044365481 4.70774521966 -2.810073710092E-02 1 14.5338256999 -2.29576106594 0.160475355254 16 23.6871881374 -2.78742501086 0.142668366748 8 25.5411157417 -1.09148804236 1.14525598407 8 23.2417958312 -5.23383132605 1.20898679380 7 24.3589360690 -3.20370291968 -2.78991772878 1 23.9091509095 -4.82809819444 -3.64057141352 1 25.4806790933 -1.97605258766 -3.68426382740 6 13.8540126043 2.76296861394 -5.303453877654E-02 8 11.8120703378 1.25321399795 -2.008307004224E-02 6 9.29901118039 2.40045989565 -6.905102121977E-02 1 9.10783205313 3.63690786172 1.54345602431 1 9.11551718001 3.51245649883 -1.77073227684 6 7.41759711942 0.225163913710 8.381954772778E-03 1 7.75164296187 -0.869303738938 1.70652575015 1 7.75918159098 -0.994644284689 -1.60061304784 8 13.7086109469 5.03734953143 -0.135183415616 6 4.67345055952 1.19177646373 -3.443655708758E-02 1 4.36347393069 2.30467041402 -1.73186035831 1 4.35593551642 2.42824308851 1.57363269202 6 2.73979046465 -0.982603093803 4.252073111888E-02 1 3.05064854136 -2.21942573316 -1.56427419659 1 3.04356406783 -2.09606747732 1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 1.08637600396 -1.70287631133 1 -0.357289139629 1.20966193729 1.61602453331 1 -1.33734281519 -1.55130517970 5.488380719168E-02 ------------------------------------------------ 6 9.25649635012 -1.80846527957 -9.292601243073E-02 6 4.49653007628 0.252386364964 -5.563329730033E-02 6 8.97661510100 0.790299344150 -0.119114341606 6 7.17209172246 -3.38798511785 -0.102169685012 6 4.78224687467 -2.34735739516 -7.329320901833E-02 6 6.58177520099 1.82758693433 -9.237860791359E-02 1 10.6170947155 1.96958871556 -0.204027651419 1 7.43391914542 -5.39176377246 -0.175377186833 1 3.13114524169 -3.51529832560 -8.157662744579E-02 1 6.31465409765 3.82860234946 -0.115984151186 16 12.2941652834 -3.11903583590 -4.829871274683E-02 8 12.1064542125 -5.60990047425 -1.08680327140 8 13.9812398042 -1.25851015147 -1.05437846650 7 12.9682120575 -3.43319864541 2.89600901229 1 13.9516579638 -2.09107340260 3.78830088073 1 12.6725674087 -5.08557002470 3.76041888038 6 1.89086902464 1.27466774715 -2.847109335790E-02 8 1.83775228380 3.81438709360 -3.668617006514E-02 6 -0.611334772331 5.09553939230 -2.759474634627E-02 1 -1.67193584771 4.49484752416 -1.66284241111 1 -1.63290597596 4.54650767572 1.65033477868 6 -2.628882640013E-02 7.90958602311 -7.826139859268E-02 1 1.04055063371 8.37091267308 -1.76016592182 1 1.08118978950 8.42305482102 1.56183569609 1 -1.76381943467 8.99262746496 -7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 11-*- 11 (11)4-COOAm-benzenesulfonamide --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide ------------------------------------------------ 6 20.7940103927 -1.18292577645 0.135748344237 6 16.2553748543 1.32561650568 1.898358840442E-02 6 18.5653398548 -2.54782901355 0.185991958815 6 20.7714899222 1.43194635192 8.119491494154E-02 6 18.4881809521 2.68752983337 1.268047644927E-02 6 16.2816292072 -1.28621992460 0.119293218161 1 18.6330826801 -4.56430368467 0.320494210942 1 22.5176825572 2.45010794741 0.136961916771 1 18.4044365481 4.70774521966 -2.810073710092E-02 1 14.5338256999 -2.29576106594 0.160475355254 16 23.6871881374 -2.78742501086 0.142668366748 8 25.5411157417 -1.09148804236 1.14525598407 8 23.2417958312 -5.23383132605 1.20898679380 7 24.3589360690 -3.20370291968 -2.78991772878 1 23.9091509095 -4.82809819444 -3.64057141352 1 25.4806790933 -1.97605258766 -3.68426382740 6 13.8540126043 2.76296861394 -5.303453877654E-02 8 11.8120703378 1.25321399795 -2.008307004224E-02 6 9.29901118039 2.40045989565 -6.905102121977E-02 1 9.10783205313 3.63690786172 1.54345602431 1 9.11551718001 3.51245649883 -1.77073227684 6 7.41759711942 0.225163913710 8.381954772778E-03 1 7.75164296187 -0.869303738938 1.70652575015 1 7.75918159098 -0.994644284689 -1.60061304784 8 13.7086109469 5.03734953143 -0.135183415616 6 4.67345055952 1.19177646373 -3.443655708758E-02 1 4.36347393069 2.30467041402 -1.73186035831 1 4.35593551642 2.42824308851 1.57363269202 6 2.73979046465 -0.982603093803 4.252073111888E-02 1 3.05064854136 -2.21942573316 -1.56427419659 1 3.04356406783 -2.09606747732 1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 1.08637600396 -1.70287631133 1 -0.357289139629 1.20966193729 1.61602453331 1 -1.33734281519 -1.55130517970 5.488380719168E-02 ------------------------------------------------ 6 16.2691799750 0.861123974289 -0.131186883282 6 11.5121945621 -1.20427204035 -2.028457912686E-02 6 14.1804039648 2.43212467262 -0.170027955664 6 15.9979271981 -1.73975638478 -9.085209513991E-02 6 13.6053532164 -2.77244247494 -2.499575182470E-02 6 11.7868447762 1.39343219905 -0.106330752902 1 14.4397111888 4.43379554927 -0.293347888880 1 17.6391790059 -2.91927288464 -0.155077522013 1 13.3297352136 -4.77580185192 5.280276989638E-03 1 10.1431555114 2.56525744119 -0.138937307621 16 19.3020004227 2.18348775204 -0.134299477251 8 20.9842079738 0.325733494236 -1.15270139607 8 19.0886880558 4.66812122535 -1.18366001761 7 20.0154046741 2.51391842666 2.79896253743 1 19.7140075146 4.16469009410 3.66423830225 1 21.0264342221 1.18451012097 3.67951649332 6 8.98524438142 -2.40710164988 4.683800638368E-02 8 8.62404088094 -4.65762117820 0.119145313158 8 7.09521260910 -0.710056286046 2.027193485411E-02 6 4.48588899364 -1.61442012240 6.043557639931E-02 1 4.18402977757 -2.83160191470 -1.54997335048 1 4.18851510037 -2.69852442655 1.76429702456 6 2.81774658260 0.727728392362 -3.131445935321E-02 1 3.26511634385 1.91346199534 1.57535965464 1 3.26258594609 1.78075553052 -1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 1.67378352623 -6.601676572586E-02 1 -0.468128283684 -1.03824231167 1.70442814436 1 -0.470300494955 -1.17038221894 -1.61582801791 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 11-*- 11 (11)4-COOAm-benzenesulfonamide --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide ------------------------------------------------ 6 20.7940103927 -1.18292577645 0.135748344237 6 16.2553748543 1.32561650568 1.898358840442E-02 6 18.5653398548 -2.54782901355 0.185991958815 6 20.7714899222 1.43194635192 8.119491494154E-02 6 18.4881809521 2.68752983337 1.268047644927E-02 6 16.2816292072 -1.28621992460 0.119293218161 1 18.6330826801 -4.56430368467 0.320494210942 1 22.5176825572 2.45010794741 0.136961916771 1 18.4044365481 4.70774521966 -2.810073710092E-02 1 14.5338256999 -2.29576106594 0.160475355254 16 23.6871881374 -2.78742501086 0.142668366748 8 25.5411157417 -1.09148804236 1.14525598407 8 23.2417958312 -5.23383132605 1.20898679380 7 24.3589360690 -3.20370291968 -2.78991772878 1 23.9091509095 -4.82809819444 -3.64057141352 1 25.4806790933 -1.97605258766 -3.68426382740 6 13.8540126043 2.76296861394 -5.303453877654E-02 8 11.8120703378 1.25321399795 -2.008307004224E-02 6 9.29901118039 2.40045989565 -6.905102121977E-02 1 9.10783205313 3.63690786172 1.54345602431 1 9.11551718001 3.51245649883 -1.77073227684 6 7.41759711942 0.225163913710 8.381954772778E-03 1 7.75164296187 -0.869303738938 1.70652575015 1 7.75918159098 -0.994644284689 -1.60061304784 8 13.7086109469 5.03734953143 -0.135183415616 6 4.67345055952 1.19177646373 -3.443655708758E-02 1 4.36347393069 2.30467041402 -1.73186035831 1 4.35593551642 2.42824308851 1.57363269202 6 2.73979046465 -0.982603093803 4.252073111888E-02 1 3.05064854136 -2.21942573316 -1.56427419659 1 3.04356406783 -2.09606747732 1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 1.08637600396 -1.70287631133 1 -0.357289139629 1.20966193729 1.61602453331 1 -1.33734281519 -1.55130517970 5.488380719168E-02 ------------------------------------------------ 6 17.9684279399 1.54301176377 -0.149693423226 6 13.6326730870 -1.30132688262 -2.138183749743E-02 6 15.6426740929 2.73563073422 -0.189786012449 6 18.1438750705 -1.06604052147 -9.962044033802E-02 6 15.9621451629 -2.49057033907 -2.523220981312E-02 6 13.4610204855 1.30509459913 -0.117287370756 1 15.5573431966 4.75166639252 -0.321088296824 1 19.9617870444 -1.94922244854 -0.163264253275 1 16.0314585342 -4.51140907128 1.239461845501E-02 1 11.6418341179 2.17978662007 -0.150641401029 16 20.7317846783 3.36204210634 -0.163987391502 8 22.7051478607 1.81249173186 -1.17548489088 8 20.0987699462 5.76903704384 -1.22508771415 7 21.3801516200 3.82469400623 2.76690153273 1 20.8048852121 5.40607792939 3.62309870587 1 22.6005200302 2.68935847433 3.65393602741 6 11.3472294671 -2.91626214998 5.651370344789E-02 8 9.19665552725 -1.56522590120 3.245613991045E-02 6 6.77856962350 -2.90016097853 8.749655544515E-02 1 6.67652246165 -4.14495637472 -1.52674105702 1 6.68550306343 -4.02593032336 1.78755983989 6 4.73704841955 -0.874096953142 1.969560988444E-02 1 4.98065500262 0.246176556333 -1.67702200013 1 4.98893864106 0.366141886882 1.62964287548 8 11.3745245833 -5.19521098803 0.135688264964 6 2.07271853085 -2.04310727132 6.880948422220E-02 1 1.85408721205 -3.17805095775 1.76397604453 1 1.84594669663 -3.29720682002 -1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 1.24962477650 1.61609500694 1 -1.86381093455 -0.848750824383 3.507941596838E-02 1 0.158113135931 1.12952769314 -1.70286806009 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 22.6680723895 -1.90654821224 0.175233423843 6 18.4884955220 1.16205594440 2.429127256041E-02 6 20.2830274345 -2.97597725977 0.173664688758 6 22.9799650421 0.690079737778 0.155208703405 6 20.8766221032 2.22748679265 6.903817015508E-02 6 18.1799381157 -1.43239889865 8.995095951044E-02 1 20.0909835172 -4.98607533718 0.281845826277 1 24.8405388049 1.47638787062 0.250726882769 1 21.0517072441 4.24227251958 5.371272626672E-02 1 16.3172055949 -2.21104024810 9.170563306660E-02 16 25.3324936821 -3.86769909134 0.204282249485 8 27.3689282330 -2.43608131514 1.26337330774 8 24.5588648910 -6.25073611663 1.22544756910 7 25.9991456410 -4.32704671165 -2.72259774632 1 25.3514763748 -5.86285263510 -3.60932921947 1 27.2925393220 -3.24838521296 -3.57606690334 6 16.2916230451 2.89540499983 -6.179565244721E-02 8 14.0727663740 1.65964926922 -7.242285012777E-02 6 11.7286122162 3.12131087053 -0.129207796905 1 11.6916371367 4.36862899705 1.48585984781 1 11.6980732731 4.25127283221 -1.82879684924 6 9.58109439663 1.20776499556 -6.511610601119E-02 1 9.76756866224 7.139861485579E-02 1.62808855633 1 9.76377736159 -3.875539761361E-02 -1.67952200771 8 16.4397777482 5.17051756224 -0.117582340473 6 6.98540215161 2.52323506137 -0.105275847922 1 6.82580399210 3.67429399210 -1.79800400123 1 6.83170567671 3.78372128405 1.50810456154 6 4.78702881724 0.616612023999 -3.768403587990E-02 1 4.93145580826 -0.642205670084 -1.65293843334 1 4.94358499840 -0.538158692436 1.65236070615 6 2.18592326697 1.92237034783 -6.880796847135E-02 1 2.02940000857 3.07742276656 -1.75724206468 1 2.04230086267 3.18049871305 1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 -1.24972460005 -1.62283624211 1 -1.81555813970 0.949604486281 -2.171294654113E-02 1 0.101559387270 -1.14661307089 1.69643499199 ------------------------------------------------ 6 5.04401540573 5.065785560124E-17 -8.565768416162E-02 6 9.27990108396 9.396277336371E-17 2.94283641892 6 6.11045552513 2.27247789332 0.644730598780 6 6.11045552513 -2.27247789332 0.644730598780 6 8.22908048709 -2.26870089799 2.17155776959 6 8.22908048709 2.26870089799 2.17155776959 1 5.30807717985 4.00751998316 -1.696942951703E-02 1 5.30807717985 -4.00751998316 -1.696942951703E-02 1 9.06580730279 -4.02284755065 2.73828333892 1 9.06580730279 4.02284755065 2.73828333892 1 10.9268739609 1.108006638944E-16 4.12165702328 16 2.32566022845 2.288454205577E-17 -1.95862643609 8 2.24799399215 -2.36940193927 -3.26556451771 8 2.24799399215 2.36940193927 -3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 1.62837329388 0.493096431600 1 -0.817594738155 -1.62837329388 0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 22.6680723895 -1.90654821224 0.175233423843 6 18.4884955220 1.16205594440 2.429127256041E-02 6 20.2830274345 -2.97597725977 0.173664688758 6 22.9799650421 0.690079737778 0.155208703405 6 20.8766221032 2.22748679265 6.903817015508E-02 6 18.1799381157 -1.43239889865 8.995095951044E-02 1 20.0909835172 -4.98607533718 0.281845826277 1 24.8405388049 1.47638787062 0.250726882769 1 21.0517072441 4.24227251958 5.371272626672E-02 1 16.3172055949 -2.21104024810 9.170563306660E-02 16 25.3324936821 -3.86769909134 0.204282249485 8 27.3689282330 -2.43608131514 1.26337330774 8 24.5588648910 -6.25073611663 1.22544756910 7 25.9991456410 -4.32704671165 -2.72259774632 1 25.3514763748 -5.86285263510 -3.60932921947 1 27.2925393220 -3.24838521296 -3.57606690334 6 16.2916230451 2.89540499983 -6.179565244721E-02 8 14.0727663740 1.65964926922 -7.242285012777E-02 6 11.7286122162 3.12131087053 -0.129207796905 1 11.6916371367 4.36862899705 1.48585984781 1 11.6980732731 4.25127283221 -1.82879684924 6 9.58109439663 1.20776499556 -6.511610601119E-02 1 9.76756866224 7.139861485579E-02 1.62808855633 1 9.76377736159 -3.875539761361E-02 -1.67952200771 8 16.4397777482 5.17051756224 -0.117582340473 6 6.98540215161 2.52323506137 -0.105275847922 1 6.82580399210 3.67429399210 -1.79800400123 1 6.83170567671 3.78372128405 1.50810456154 6 4.78702881724 0.616612023999 -3.768403587990E-02 1 4.93145580826 -0.642205670084 -1.65293843334 1 4.94358499840 -0.538158692436 1.65236070615 6 2.18592326697 1.92237034783 -6.880796847135E-02 1 2.02940000857 3.07742276656 -1.75724206468 1 2.04230086267 3.18049871305 1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 -1.24972460005 -1.62283624211 1 -1.81555813970 0.949604486281 -2.171294654113E-02 1 0.101559387270 -1.14661307089 1.69643499199 ------------------------------------------------ 6 8.11007909745 -8.556435899195E-18 -0.100897097935 6 2.86329951331 -2.922536611154E-18 -7.349736953064E-02 6 6.80777063774 -2.26567639154 -0.121232299609 6 6.80777063774 2.26567639154 -0.121232299609 6 4.19897121896 2.25839811190 -9.895828809266E-02 6 4.19897121896 -2.25839811190 -9.895828809266E-02 1 7.83682406515 -4.00573551491 -0.201208431763 1 7.83682406515 4.00573551491 -0.201208431763 1 3.19435364603 4.01778780932 -0.125815986880 1 3.19435364603 -4.01778780932 -0.125815986880 16 11.4059109298 -1.222287901647E-17 -6.903234852523E-02 8 12.2226557176 2.36966347735 -1.09351831769 8 12.2226557176 -2.36966347735 -1.09351831769 7 12.1903871090 -2.070990068685E-17 2.87084462677 1 12.5792272181 -1.62848573258 3.74230825804 1 12.5792272181 1.62848573258 3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 -4.336273740756E-18 1.94437378897 1 -0.758564487207 1.65923610975 -0.927043031519 1 -0.758564487207 -1.65923610975 -0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 22.6680723895 -1.90654821224 0.175233423843 6 18.4884955220 1.16205594440 2.429127256041E-02 6 20.2830274345 -2.97597725977 0.173664688758 6 22.9799650421 0.690079737778 0.155208703405 6 20.8766221032 2.22748679265 6.903817015508E-02 6 18.1799381157 -1.43239889865 8.995095951044E-02 1 20.0909835172 -4.98607533718 0.281845826277 1 24.8405388049 1.47638787062 0.250726882769 1 21.0517072441 4.24227251958 5.371272626672E-02 1 16.3172055949 -2.21104024810 9.170563306660E-02 16 25.3324936821 -3.86769909134 0.204282249485 8 27.3689282330 -2.43608131514 1.26337330774 8 24.5588648910 -6.25073611663 1.22544756910 7 25.9991456410 -4.32704671165 -2.72259774632 1 25.3514763748 -5.86285263510 -3.60932921947 1 27.2925393220 -3.24838521296 -3.57606690334 6 16.2916230451 2.89540499983 -6.179565244721E-02 8 14.0727663740 1.65964926922 -7.242285012777E-02 6 11.7286122162 3.12131087053 -0.129207796905 1 11.6916371367 4.36862899705 1.48585984781 1 11.6980732731 4.25127283221 -1.82879684924 6 9.58109439663 1.20776499556 -6.511610601119E-02 1 9.76756866224 7.139861485579E-02 1.62808855633 1 9.76377736159 -3.875539761361E-02 -1.67952200771 8 16.4397777482 5.17051756224 -0.117582340473 6 6.98540215161 2.52323506137 -0.105275847922 1 6.82580399210 3.67429399210 -1.79800400123 1 6.83170567671 3.78372128405 1.50810456154 6 4.78702881724 0.616612023999 -3.768403587990E-02 1 4.93145580826 -0.642205670084 -1.65293843334 1 4.94358499840 -0.538158692436 1.65236070615 6 2.18592326697 1.92237034783 -6.880796847135E-02 1 2.02940000857 3.07742276656 -1.75724206468 1 2.04230086267 3.18049871305 1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 -1.24972460005 -1.62283624211 1 -1.81555813970 0.949604486281 -2.171294654113E-02 1 0.101559387270 -1.14661307089 1.69643499199 ------------------------------------------------ 6 9.49515614095 1.986230634504E-17 0.330909318726 6 4.54766506655 -1.418482302241E-17 -1.41449070261 6 8.25938767444 2.26624765571 -7.914581718090E-02 6 8.25938767444 -2.26624765571 -7.914581718090E-02 6 5.80247435955 -2.25843288285 -0.956589914867 6 5.80247435955 2.25843288285 -0.956589914867 1 9.20891937494 4.00630432243 0.325801090800 1 9.20891937494 -4.00630432243 0.325801090800 1 4.84800788582 -4.01788928760 -1.27432519389 1 4.84800788582 4.01788928760 -1.27432519389 16 12.6215076530 4.047871219384E-17 1.37421975164 8 13.0597966465 -2.36964987132 2.60912294465 8 13.0597966465 2.36964987132 2.60912294465 7 14.3219760733 5.129921083899E-18 -1.14895839935 1 14.9723537348 1.62851785792 -1.84712919698 1 14.9723537348 -1.62851785792 -1.84712919698 6 1.82011448549 -3.162508651201E-17 -2.28845439361 1 1.46450096442 -1.65231782291 -3.44535547264 1 1.46450096442 1.65231782291 -3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 -1.65855864299 1.15861699465 1 0.312880607522 1.65855864299 1.15861699465 1 -1.95068478995 -1.250653597013E-17 -0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 22.6680723895 -1.90654821224 0.175233423843 6 18.4884955220 1.16205594440 2.429127256041E-02 6 20.2830274345 -2.97597725977 0.173664688758 6 22.9799650421 0.690079737778 0.155208703405 6 20.8766221032 2.22748679265 6.903817015508E-02 6 18.1799381157 -1.43239889865 8.995095951044E-02 1 20.0909835172 -4.98607533718 0.281845826277 1 24.8405388049 1.47638787062 0.250726882769 1 21.0517072441 4.24227251958 5.371272626672E-02 1 16.3172055949 -2.21104024810 9.170563306660E-02 16 25.3324936821 -3.86769909134 0.204282249485 8 27.3689282330 -2.43608131514 1.26337330774 8 24.5588648910 -6.25073611663 1.22544756910 7 25.9991456410 -4.32704671165 -2.72259774632 1 25.3514763748 -5.86285263510 -3.60932921947 1 27.2925393220 -3.24838521296 -3.57606690334 6 16.2916230451 2.89540499983 -6.179565244721E-02 8 14.0727663740 1.65964926922 -7.242285012777E-02 6 11.7286122162 3.12131087053 -0.129207796905 1 11.6916371367 4.36862899705 1.48585984781 1 11.6980732731 4.25127283221 -1.82879684924 6 9.58109439663 1.20776499556 -6.511610601119E-02 1 9.76756866224 7.139861485579E-02 1.62808855633 1 9.76377736159 -3.875539761361E-02 -1.67952200771 8 16.4397777482 5.17051756224 -0.117582340473 6 6.98540215161 2.52323506137 -0.105275847922 1 6.82580399210 3.67429399210 -1.79800400123 1 6.83170567671 3.78372128405 1.50810456154 6 4.78702881724 0.616612023999 -3.768403587990E-02 1 4.93145580826 -0.642205670084 -1.65293843334 1 4.94358499840 -0.538158692436 1.65236070615 6 2.18592326697 1.92237034783 -6.880796847135E-02 1 2.02940000857 3.07742276656 -1.75724206468 1 2.04230086267 3.18049871305 1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 -1.24972460005 -1.62283624211 1 -1.81555813970 0.949604486281 -2.171294654113E-02 1 0.101559387270 -1.14661307089 1.69643499199 ------------------------------------------------ 6 12.3462848294 8.276065163872E-20 0.219629035968 6 7.27697590475 -1.666425406161E-18 -1.13352461031 6 11.0821729337 2.26629036351 -9.228879249722E-02 6 11.0821729337 -2.26629036351 -9.228879249722E-02 6 8.56408820998 -2.25853587292 -0.774654122839 6 8.56408820998 2.25853587292 -0.774654122839 1 12.0604999845 4.00629846428 0.237334526856 1 12.0604999845 -4.00629846428 0.237334526856 1 7.58747623906 -4.01782409206 -1.01660875510 1 7.58747623906 4.01782409206 -1.01660875510 16 15.5446672699 1.106855929460E-18 1.01482146618 8 16.0785895276 -2.36961755701 2.21160547802 8 16.0785895276 2.36961755701 2.21160547802 7 17.0423265084 -2.516184840979E-18 -1.63372129060 1 17.6356158799 1.62852220429 -2.38095755132 1 17.6356158799 -1.62852220429 -2.38095755132 6 4.48973225005 -2.504801715792E-18 -1.78668016231 1 4.03784923022 -1.65364233185 -2.91036104922 1 4.03784923022 1.65364233185 -2.91036104922 6 2.84178543494 8.061817684800E-19 0.630150435706 1 3.30689183592 -1.64977444070 1.75284818480 1 3.30689183592 1.64977444070 1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 -1.66081705451 -1.09295879416 1 -1.12447528227 2.345093436379E-18 1.71233470070 1 -0.500643208584 1.66081705451 -1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide ------------------------------------------------ 6 22.6680723895 -1.90654821224 0.175233423843 6 18.4884955220 1.16205594440 2.429127256041E-02 6 20.2830274345 -2.97597725977 0.173664688758 6 22.9799650421 0.690079737778 0.155208703405 6 20.8766221032 2.22748679265 6.903817015508E-02 6 18.1799381157 -1.43239889865 8.995095951044E-02 1 20.0909835172 -4.98607533718 0.281845826277 1 24.8405388049 1.47638787062 0.250726882769 1 21.0517072441 4.24227251958 5.371272626672E-02 1 16.3172055949 -2.21104024810 9.170563306660E-02 16 25.3324936821 -3.86769909134 0.204282249485 8 27.3689282330 -2.43608131514 1.26337330774 8 24.5588648910 -6.25073611663 1.22544756910 7 25.9991456410 -4.32704671165 -2.72259774632 1 25.3514763748 -5.86285263510 -3.60932921947 1 27.2925393220 -3.24838521296 -3.57606690334 6 16.2916230451 2.89540499983 -6.179565244721E-02 8 14.0727663740 1.65964926922 -7.242285012777E-02 6 11.7286122162 3.12131087053 -0.129207796905 1 11.6916371367 4.36862899705 1.48585984781 1 11.6980732731 4.25127283221 -1.82879684924 6 9.58109439663 1.20776499556 -6.511610601119E-02 1 9.76756866224 7.139861485579E-02 1.62808855633 1 9.76377736159 -3.875539761361E-02 -1.67952200771 8 16.4397777482 5.17051756224 -0.117582340473 6 6.98540215161 2.52323506137 -0.105275847922 1 6.82580399210 3.67429399210 -1.79800400123 1 6.83170567671 3.78372128405 1.50810456154 6 4.78702881724 0.616612023999 -3.768403587990E-02 1 4.93145580826 -0.642205670084 -1.65293843334 1 4.94358499840 -0.538158692436 1.65236070615 6 2.18592326697 1.92237034783 -6.880796847135E-02 1 2.02940000857 3.07742276656 -1.75724206468 1 2.04230086267 3.18049871305 1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 -1.24972460005 -1.62283624211 1 -1.81555813970 0.949604486281 -2.171294654113E-02 1 0.101559387270 -1.14661307089 1.69643499199 ------------------------------------------------ 6 14.1238159113 -1.214503673567E-17 0.678437661017 6 9.44100667607 -7.329180195868E-17 -1.68836769331 6 12.9508759688 2.26624992338 0.112955994743 6 12.9508759688 -2.26624992338 0.112955994743 6 10.6269754875 -2.25848844080 -1.07270695836 6 10.6269754875 2.25848844080 -1.07270695836 1 13.8404298349 4.00630337757 0.636723693997 1 13.8404298349 -4.00630337757 0.636723693997 1 9.72086351835 -4.01774604637 -1.51016368205 1 9.72086351835 4.01774604637 -1.51016368205 16 17.0896510524 2.469474469544E-17 2.11542048055 8 17.3657436482 -2.36962001365 3.39654871916 8 17.3657436482 2.36962001365 3.39654871916 7 19.1011870389 -4.944166890890E-17 -0.167534197609 1 19.8356986120 1.62853921182 -0.776447021723 1 19.8356986120 -1.62853921182 -0.776447021723 6 6.84711615725 -1.041405701228E-16 -2.90008400935 1 6.63682781461 1.65387609096 -4.09248466188 1 6.63682781461 -1.65387609096 -4.09248466188 6 4.74105840551 -3.748430357849E-17 -0.870168924938 1 4.96583213621 1.65095665328 0.325145161310 1 4.96583213621 -1.65095665328 0.325145161310 6 2.07671001580 -6.693452376398E-17 -2.04129882743 1 1.86017810411 1.65244972578 -3.23844110052 1 1.86017810411 -1.65244972578 -3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 1.66008648645 1.19157111842 1 -1.86482588637 -2.150045959666E-17 -0.848869041688 1 0.161115980412 -1.66008648645 1.19157111842 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide --> 6-*- 6 (6)4-Am-Benzenesulfonamide ------------------------------------------------ 6 22.6680723895 -1.90654821224 0.175233423843 6 18.4884955220 1.16205594440 2.429127256041E-02 6 20.2830274345 -2.97597725977 0.173664688758 6 22.9799650421 0.690079737778 0.155208703405 6 20.8766221032 2.22748679265 6.903817015508E-02 6 18.1799381157 -1.43239889865 8.995095951044E-02 1 20.0909835172 -4.98607533718 0.281845826277 1 24.8405388049 1.47638787062 0.250726882769 1 21.0517072441 4.24227251958 5.371272626672E-02 1 16.3172055949 -2.21104024810 9.170563306660E-02 16 25.3324936821 -3.86769909134 0.204282249485 8 27.3689282330 -2.43608131514 1.26337330774 8 24.5588648910 -6.25073611663 1.22544756910 7 25.9991456410 -4.32704671165 -2.72259774632 1 25.3514763748 -5.86285263510 -3.60932921947 1 27.2925393220 -3.24838521296 -3.57606690334 6 16.2916230451 2.89540499983 -6.179565244721E-02 8 14.0727663740 1.65964926922 -7.242285012777E-02 6 11.7286122162 3.12131087053 -0.129207796905 1 11.6916371367 4.36862899705 1.48585984781 1 11.6980732731 4.25127283221 -1.82879684924 6 9.58109439663 1.20776499556 -6.511610601119E-02 1 9.76756866224 7.139861485579E-02 1.62808855633 1 9.76377736159 -3.875539761361E-02 -1.67952200771 8 16.4397777482 5.17051756224 -0.117582340473 6 6.98540215161 2.52323506137 -0.105275847922 1 6.82580399210 3.67429399210 -1.79800400123 1 6.83170567671 3.78372128405 1.50810456154 6 4.78702881724 0.616612023999 -3.768403587990E-02 1 4.93145580826 -0.642205670084 -1.65293843334 1 4.94358499840 -0.538158692436 1.65236070615 6 2.18592326697 1.92237034783 -6.880796847135E-02 1 2.02940000857 3.07742276656 -1.75724206468 1 2.04230086267 3.18049871305 1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 -1.24972460005 -1.62283624211 1 -1.81555813970 0.949604486281 -2.171294654113E-02 1 0.101559387270 -1.14661307089 1.69643499199 ------------------------------------------------ 6 16.9068057473 0.243177970445 -1.059325119563E-16 6 12.0155875324 -1.65600530852 -7.874007219591E-16 6 15.7028346951 -0.252939874960 -2.26622819153 6 15.7028346951 -0.252939874960 2.26622819153 6 13.2672687790 -1.18799231963 2.25851621977 6 13.2672687790 -1.18799231963 -2.25851621977 1 16.6905927723 4.935959543974E-02 -4.00587781127 1 16.6905927723 4.935959543974E-02 4.00587781127 1 12.3418929399 -1.58361797677 4.01758126227 1 12.3418929399 -1.58361797677 -4.01758126227 16 19.9613139677 1.48061075670 3.396565444380E-16 8 21.0975033451 0.827628604396 2.36965497358 8 21.0975033451 0.827628604396 -2.36965497358 7 19.6140817394 4.50363661503 1.520890767875E-15 1 19.6563448244 5.45686048237 -1.62850009449 1 19.6563448244 5.45686048237 1.62850009449 6 9.31463490683 -2.60509907624 -1.124910972962E-15 1 8.98767928251 -3.77103356608 -1.65353820795 1 8.98767928251 -3.77103356608 1.65353820795 6 7.41754404250 -0.378508099205 -2.354035425308E-16 1 7.75886683358 0.788097380015 -1.65185162751 1 7.75886683358 0.788097380015 1.65185162751 6 4.65268631611 -1.28701345345 -5.563510498846E-16 1 4.32004736793 -2.45842354097 -1.65339251008 1 4.32004736793 -2.45842354097 1.65339251008 6 2.76072678768 0.925807775628 3.277337893163E-16 1 3.09073708924 2.09665994535 -1.65204135600 1 3.09073708924 2.09665994535 1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 -1.14184653845 -1.66034613480 1 -1.30590878374 1.57901648689 6.303379891292E-16 1 -0.377248445559 -1.14184653845 1.66034613480 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide ------------------------------------------------ 6 22.6680723895 -1.90654821224 0.175233423843 6 18.4884955220 1.16205594440 2.429127256041E-02 6 20.2830274345 -2.97597725977 0.173664688758 6 22.9799650421 0.690079737778 0.155208703405 6 20.8766221032 2.22748679265 6.903817015508E-02 6 18.1799381157 -1.43239889865 8.995095951044E-02 1 20.0909835172 -4.98607533718 0.281845826277 1 24.8405388049 1.47638787062 0.250726882769 1 21.0517072441 4.24227251958 5.371272626672E-02 1 16.3172055949 -2.21104024810 9.170563306660E-02 16 25.3324936821 -3.86769909134 0.204282249485 8 27.3689282330 -2.43608131514 1.26337330774 8 24.5588648910 -6.25073611663 1.22544756910 7 25.9991456410 -4.32704671165 -2.72259774632 1 25.3514763748 -5.86285263510 -3.60932921947 1 27.2925393220 -3.24838521296 -3.57606690334 6 16.2916230451 2.89540499983 -6.179565244721E-02 8 14.0727663740 1.65964926922 -7.242285012777E-02 6 11.7286122162 3.12131087053 -0.129207796905 1 11.6916371367 4.36862899705 1.48585984781 1 11.6980732731 4.25127283221 -1.82879684924 6 9.58109439663 1.20776499556 -6.511610601119E-02 1 9.76756866224 7.139861485579E-02 1.62808855633 1 9.76377736159 -3.875539761361E-02 -1.67952200771 8 16.4397777482 5.17051756224 -0.117582340473 6 6.98540215161 2.52323506137 -0.105275847922 1 6.82580399210 3.67429399210 -1.79800400123 1 6.83170567671 3.78372128405 1.50810456154 6 4.78702881724 0.616612023999 -3.768403587990E-02 1 4.93145580826 -0.642205670084 -1.65293843334 1 4.94358499840 -0.538158692436 1.65236070615 6 2.18592326697 1.92237034783 -6.880796847135E-02 1 2.02940000857 3.07742276656 -1.75724206468 1 2.04230086267 3.18049871305 1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 -1.24972460005 -1.62283624211 1 -1.81555813970 0.949604486281 -2.171294654113E-02 1 0.101559387270 -1.14661307089 1.69643499199 ------------------------------------------------ 6 12.0127056291 0.467319191248 -0.111806432972 6 6.97352093600 -0.759917308701 -4.748266917407E-02 6 10.2217532895 2.37079219426 -0.152809003460 6 11.3033419938 -2.04980757052 -9.307700569057E-02 6 8.76972951282 -2.66113662451 -5.092383423729E-02 6 7.68607351310 1.75397861179 -0.112223563757 1 10.8183018721 4.29997421278 -0.259688127616 1 12.7207799808 -3.49060386186 -0.155267676093 1 8.15790328645 -4.58878364063 -3.776105769249E-02 1 6.26630294078 3.18887845369 -0.146456888627 16 15.2263520177 1.25494370756 -8.406950718910E-02 8 16.5763713396 -0.857729096636 -1.09992283794 8 15.4471228542 3.74394477194 -1.12115495093 7 15.9595091226 1.44681230628 2.85648386684 1 15.9368640683 3.12142107712 3.72820018659 1 16.7225609771 -3.868535428217E-02 3.73740008869 6 4.28110783217 -1.51706821998 -4.380793909740E-03 8 3.53735775286 -3.67127241182 4.627237069106E-02 8 2.70645115658 0.479140449071 -2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 -1.08656629775 -1.64022531142 1 -0.866069129495 1.83937203385 -2.906081667564E-02 1 -0.516390062658 -1.02531407580 1.68530034526 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide ------------------------------------------------ 6 22.6680723895 -1.90654821224 0.175233423843 6 18.4884955220 1.16205594440 2.429127256041E-02 6 20.2830274345 -2.97597725977 0.173664688758 6 22.9799650421 0.690079737778 0.155208703405 6 20.8766221032 2.22748679265 6.903817015508E-02 6 18.1799381157 -1.43239889865 8.995095951044E-02 1 20.0909835172 -4.98607533718 0.281845826277 1 24.8405388049 1.47638787062 0.250726882769 1 21.0517072441 4.24227251958 5.371272626672E-02 1 16.3172055949 -2.21104024810 9.170563306660E-02 16 25.3324936821 -3.86769909134 0.204282249485 8 27.3689282330 -2.43608131514 1.26337330774 8 24.5588648910 -6.25073611663 1.22544756910 7 25.9991456410 -4.32704671165 -2.72259774632 1 25.3514763748 -5.86285263510 -3.60932921947 1 27.2925393220 -3.24838521296 -3.57606690334 6 16.2916230451 2.89540499983 -6.179565244721E-02 8 14.0727663740 1.65964926922 -7.242285012777E-02 6 11.7286122162 3.12131087053 -0.129207796905 1 11.6916371367 4.36862899705 1.48585984781 1 11.6980732731 4.25127283221 -1.82879684924 6 9.58109439663 1.20776499556 -6.511610601119E-02 1 9.76756866224 7.139861485579E-02 1.62808855633 1 9.76377736159 -3.875539761361E-02 -1.67952200771 8 16.4397777482 5.17051756224 -0.117582340473 6 6.98540215161 2.52323506137 -0.105275847922 1 6.82580399210 3.67429399210 -1.79800400123 1 6.83170567671 3.78372128405 1.50810456154 6 4.78702881724 0.616612023999 -3.768403587990E-02 1 4.93145580826 -0.642205670084 -1.65293843334 1 4.94358499840 -0.538158692436 1.65236070615 6 2.18592326697 1.92237034783 -6.880796847135E-02 1 2.02940000857 3.07742276656 -1.75724206468 1 2.04230086267 3.18049871305 1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 -1.24972460005 -1.62283624211 1 -1.81555813970 0.949604486281 -2.171294654113E-02 1 0.101559387270 -1.14661307089 1.69643499199 ------------------------------------------------ 6 9.25649635012 1.80846527957 9.292601243073E-02 6 4.49653007628 -0.252386364964 5.563329730033E-02 6 8.97661510100 -0.790299344150 0.119114341606 6 7.17209172246 3.38798511785 0.102169685012 6 4.78224687467 2.34735739516 7.329320901833E-02 6 6.58177520099 -1.82758693433 9.237860791359E-02 1 10.6170947155 -1.96958871556 0.204027651419 1 7.43391914542 5.39176377246 0.175377186833 1 3.13114524169 3.51529832560 8.157662744579E-02 1 6.31465409765 -3.82860234946 0.115984151186 16 12.2941652834 3.11903583590 4.829871274683E-02 8 12.1064542125 5.60990047425 1.08680327140 8 13.9812398042 1.25851015147 1.05437846650 7 12.9682120575 3.43319864541 -2.89600901229 1 13.9516579638 2.09107340260 -3.78830088073 1 12.6725674087 5.08557002470 -3.76041888038 6 1.89086902464 -1.27466774715 2.847109335790E-02 8 1.83775228380 -3.81438709360 3.668617006514E-02 6 -0.611334772331 -5.09553939230 2.759474634627E-02 1 -1.67193584771 -4.49484752416 1.66284241111 1 -1.63290597596 -4.54650767572 -1.65033477868 6 -2.628882640013E-02 -7.90958602311 7.826139859268E-02 1 1.04055063371 -8.37091267308 1.76016592182 1 1.08118978950 -8.42305482102 -1.56183569609 1 -1.76381943467 -8.99262746496 7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide ------------------------------------------------ 6 22.6680723895 -1.90654821224 0.175233423843 6 18.4884955220 1.16205594440 2.429127256041E-02 6 20.2830274345 -2.97597725977 0.173664688758 6 22.9799650421 0.690079737778 0.155208703405 6 20.8766221032 2.22748679265 6.903817015508E-02 6 18.1799381157 -1.43239889865 8.995095951044E-02 1 20.0909835172 -4.98607533718 0.281845826277 1 24.8405388049 1.47638787062 0.250726882769 1 21.0517072441 4.24227251958 5.371272626672E-02 1 16.3172055949 -2.21104024810 9.170563306660E-02 16 25.3324936821 -3.86769909134 0.204282249485 8 27.3689282330 -2.43608131514 1.26337330774 8 24.5588648910 -6.25073611663 1.22544756910 7 25.9991456410 -4.32704671165 -2.72259774632 1 25.3514763748 -5.86285263510 -3.60932921947 1 27.2925393220 -3.24838521296 -3.57606690334 6 16.2916230451 2.89540499983 -6.179565244721E-02 8 14.0727663740 1.65964926922 -7.242285012777E-02 6 11.7286122162 3.12131087053 -0.129207796905 1 11.6916371367 4.36862899705 1.48585984781 1 11.6980732731 4.25127283221 -1.82879684924 6 9.58109439663 1.20776499556 -6.511610601119E-02 1 9.76756866224 7.139861485579E-02 1.62808855633 1 9.76377736159 -3.875539761361E-02 -1.67952200771 8 16.4397777482 5.17051756224 -0.117582340473 6 6.98540215161 2.52323506137 -0.105275847922 1 6.82580399210 3.67429399210 -1.79800400123 1 6.83170567671 3.78372128405 1.50810456154 6 4.78702881724 0.616612023999 -3.768403587990E-02 1 4.93145580826 -0.642205670084 -1.65293843334 1 4.94358499840 -0.538158692436 1.65236070615 6 2.18592326697 1.92237034783 -6.880796847135E-02 1 2.02940000857 3.07742276656 -1.75724206468 1 2.04230086267 3.18049871305 1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 -1.24972460005 -1.62283624211 1 -1.81555813970 0.949604486281 -2.171294654113E-02 1 0.101559387270 -1.14661307089 1.69643499199 ------------------------------------------------ 6 16.2691799750 0.861123974289 -0.131186883282 6 11.5121945621 -1.20427204035 -2.028457912686E-02 6 14.1804039648 2.43212467262 -0.170027955664 6 15.9979271981 -1.73975638478 -9.085209513991E-02 6 13.6053532164 -2.77244247494 -2.499575182470E-02 6 11.7868447762 1.39343219905 -0.106330752902 1 14.4397111888 4.43379554927 -0.293347888880 1 17.6391790059 -2.91927288464 -0.155077522013 1 13.3297352136 -4.77580185192 5.280276989638E-03 1 10.1431555114 2.56525744119 -0.138937307621 16 19.3020004227 2.18348775204 -0.134299477251 8 20.9842079738 0.325733494236 -1.15270139607 8 19.0886880558 4.66812122535 -1.18366001761 7 20.0154046741 2.51391842666 2.79896253743 1 19.7140075146 4.16469009410 3.66423830225 1 21.0264342221 1.18451012097 3.67951649332 6 8.98524438142 -2.40710164988 4.683800638368E-02 8 8.62404088094 -4.65762117820 0.119145313158 8 7.09521260910 -0.710056286046 2.027193485411E-02 6 4.48588899364 -1.61442012240 6.043557639931E-02 1 4.18402977757 -2.83160191470 -1.54997335048 1 4.18851510037 -2.69852442655 1.76429702456 6 2.81774658260 0.727728392362 -3.131445935321E-02 1 3.26511634385 1.91346199534 1.57535965464 1 3.26258594609 1.78075553052 -1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 1.67378352623 -6.601676572586E-02 1 -0.468128283684 -1.03824231167 1.70442814436 1 -0.470300494955 -1.17038221894 -1.61582801791 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide ------------------------------------------------ 6 22.6680723895 -1.90654821224 0.175233423843 6 18.4884955220 1.16205594440 2.429127256041E-02 6 20.2830274345 -2.97597725977 0.173664688758 6 22.9799650421 0.690079737778 0.155208703405 6 20.8766221032 2.22748679265 6.903817015508E-02 6 18.1799381157 -1.43239889865 8.995095951044E-02 1 20.0909835172 -4.98607533718 0.281845826277 1 24.8405388049 1.47638787062 0.250726882769 1 21.0517072441 4.24227251958 5.371272626672E-02 1 16.3172055949 -2.21104024810 9.170563306660E-02 16 25.3324936821 -3.86769909134 0.204282249485 8 27.3689282330 -2.43608131514 1.26337330774 8 24.5588648910 -6.25073611663 1.22544756910 7 25.9991456410 -4.32704671165 -2.72259774632 1 25.3514763748 -5.86285263510 -3.60932921947 1 27.2925393220 -3.24838521296 -3.57606690334 6 16.2916230451 2.89540499983 -6.179565244721E-02 8 14.0727663740 1.65964926922 -7.242285012777E-02 6 11.7286122162 3.12131087053 -0.129207796905 1 11.6916371367 4.36862899705 1.48585984781 1 11.6980732731 4.25127283221 -1.82879684924 6 9.58109439663 1.20776499556 -6.511610601119E-02 1 9.76756866224 7.139861485579E-02 1.62808855633 1 9.76377736159 -3.875539761361E-02 -1.67952200771 8 16.4397777482 5.17051756224 -0.117582340473 6 6.98540215161 2.52323506137 -0.105275847922 1 6.82580399210 3.67429399210 -1.79800400123 1 6.83170567671 3.78372128405 1.50810456154 6 4.78702881724 0.616612023999 -3.768403587990E-02 1 4.93145580826 -0.642205670084 -1.65293843334 1 4.94358499840 -0.538158692436 1.65236070615 6 2.18592326697 1.92237034783 -6.880796847135E-02 1 2.02940000857 3.07742276656 -1.75724206468 1 2.04230086267 3.18049871305 1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 -1.24972460005 -1.62283624211 1 -1.81555813970 0.949604486281 -2.171294654113E-02 1 0.101559387270 -1.14661307089 1.69643499199 ------------------------------------------------ 6 17.9684279399 1.54301176377 -0.149693423226 6 13.6326730870 -1.30132688262 -2.138183749743E-02 6 15.6426740929 2.73563073422 -0.189786012449 6 18.1438750705 -1.06604052147 -9.962044033802E-02 6 15.9621451629 -2.49057033907 -2.523220981312E-02 6 13.4610204855 1.30509459913 -0.117287370756 1 15.5573431966 4.75166639252 -0.321088296824 1 19.9617870444 -1.94922244854 -0.163264253275 1 16.0314585342 -4.51140907128 1.239461845501E-02 1 11.6418341179 2.17978662007 -0.150641401029 16 20.7317846783 3.36204210634 -0.163987391502 8 22.7051478607 1.81249173186 -1.17548489088 8 20.0987699462 5.76903704384 -1.22508771415 7 21.3801516200 3.82469400623 2.76690153273 1 20.8048852121 5.40607792939 3.62309870587 1 22.6005200302 2.68935847433 3.65393602741 6 11.3472294671 -2.91626214998 5.651370344789E-02 8 9.19665552725 -1.56522590120 3.245613991045E-02 6 6.77856962350 -2.90016097853 8.749655544515E-02 1 6.67652246165 -4.14495637472 -1.52674105702 1 6.68550306343 -4.02593032336 1.78755983989 6 4.73704841955 -0.874096953142 1.969560988444E-02 1 4.98065500262 0.246176556333 -1.67702200013 1 4.98893864106 0.366141886882 1.62964287548 8 11.3745245833 -5.19521098803 0.135688264964 6 2.07271853085 -2.04310727132 6.880948422220E-02 1 1.85408721205 -3.17805095775 1.76397604453 1 1.84594669663 -3.29720682002 -1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 1.24962477650 1.61609500694 1 -1.86381093455 -0.848750824383 3.507941596838E-02 1 0.158113135931 1.12952769314 -1.70286806009 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide --> 11-*- 11 (11)4-COOAm-benzenesulfonamide ------------------------------------------------ 6 22.6680723895 -1.90654821224 0.175233423843 6 18.4884955220 1.16205594440 2.429127256041E-02 6 20.2830274345 -2.97597725977 0.173664688758 6 22.9799650421 0.690079737778 0.155208703405 6 20.8766221032 2.22748679265 6.903817015508E-02 6 18.1799381157 -1.43239889865 8.995095951044E-02 1 20.0909835172 -4.98607533718 0.281845826277 1 24.8405388049 1.47638787062 0.250726882769 1 21.0517072441 4.24227251958 5.371272626672E-02 1 16.3172055949 -2.21104024810 9.170563306660E-02 16 25.3324936821 -3.86769909134 0.204282249485 8 27.3689282330 -2.43608131514 1.26337330774 8 24.5588648910 -6.25073611663 1.22544756910 7 25.9991456410 -4.32704671165 -2.72259774632 1 25.3514763748 -5.86285263510 -3.60932921947 1 27.2925393220 -3.24838521296 -3.57606690334 6 16.2916230451 2.89540499983 -6.179565244721E-02 8 14.0727663740 1.65964926922 -7.242285012777E-02 6 11.7286122162 3.12131087053 -0.129207796905 1 11.6916371367 4.36862899705 1.48585984781 1 11.6980732731 4.25127283221 -1.82879684924 6 9.58109439663 1.20776499556 -6.511610601119E-02 1 9.76756866224 7.139861485579E-02 1.62808855633 1 9.76377736159 -3.875539761361E-02 -1.67952200771 8 16.4397777482 5.17051756224 -0.117582340473 6 6.98540215161 2.52323506137 -0.105275847922 1 6.82580399210 3.67429399210 -1.79800400123 1 6.83170567671 3.78372128405 1.50810456154 6 4.78702881724 0.616612023999 -3.768403587990E-02 1 4.93145580826 -0.642205670084 -1.65293843334 1 4.94358499840 -0.538158692436 1.65236070615 6 2.18592326697 1.92237034783 -6.880796847135E-02 1 2.02940000857 3.07742276656 -1.75724206468 1 2.04230086267 3.18049871305 1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 -1.24972460005 -1.62283624211 1 -1.81555813970 0.949604486281 -2.171294654113E-02 1 0.101559387270 -1.14661307089 1.69643499199 ------------------------------------------------ 6 20.7940103927 -1.18292577645 0.135748344237 6 16.2553748543 1.32561650568 1.898358840442E-02 6 18.5653398548 -2.54782901355 0.185991958815 6 20.7714899222 1.43194635192 8.119491494154E-02 6 18.4881809521 2.68752983337 1.268047644927E-02 6 16.2816292072 -1.28621992460 0.119293218161 1 18.6330826801 -4.56430368467 0.320494210942 1 22.5176825572 2.45010794741 0.136961916771 1 18.4044365481 4.70774521966 -2.810073710092E-02 1 14.5338256999 -2.29576106594 0.160475355254 16 23.6871881374 -2.78742501086 0.142668366748 8 25.5411157417 -1.09148804236 1.14525598407 8 23.2417958312 -5.23383132605 1.20898679380 7 24.3589360690 -3.20370291968 -2.78991772878 1 23.9091509095 -4.82809819444 -3.64057141352 1 25.4806790933 -1.97605258766 -3.68426382740 6 13.8540126043 2.76296861394 -5.303453877654E-02 8 11.8120703378 1.25321399795 -2.008307004224E-02 6 9.29901118039 2.40045989565 -6.905102121977E-02 1 9.10783205313 3.63690786172 1.54345602431 1 9.11551718001 3.51245649883 -1.77073227684 6 7.41759711942 0.225163913710 8.381954772778E-03 1 7.75164296187 -0.869303738938 1.70652575015 1 7.75918159098 -0.994644284689 -1.60061304784 8 13.7086109469 5.03734953143 -0.135183415616 6 4.67345055952 1.19177646373 -3.443655708758E-02 1 4.36347393069 2.30467041402 -1.73186035831 1 4.35593551642 2.42824308851 1.57363269202 6 2.73979046465 -0.982603093803 4.252073111888E-02 1 3.05064854136 -2.21942573316 -1.56427419659 1 3.04356406783 -2.09606747732 1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 1.08637600396 -1.70287631133 1 -0.357289139629 1.20966193729 1.61602453331 1 -1.33734281519 -1.55130517970 5.488380719168E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 12.2734251286 -0.428907088210 3.130417300445E-02 6 7.16512558575 0.605433656762 0.183825719733 6 10.5713708299 -2.37495748345 0.399070980710 6 11.4474717344 2.04279012262 -0.176766780326 6 8.89344536670 2.55194533980 -9.586430260886E-02 6 8.01368059796 -1.85426065145 0.469957115655 1 11.2546633574 -4.25736622768 0.680203900338 1 12.7976479862 3.53900012680 -0.347716707934 1 8.19737481149 4.44495294702 -0.221953717805 1 6.71862383287 -3.36899815646 0.820375895056 16 15.5058925312 -1.09988548484 -0.139878058083 8 16.8322621021 1.12838754297 0.629587328980 8 15.8847585470 -3.49504260894 1.06180455980 7 16.0744500874 -1.48770706952 -3.09912365385 1 16.0632182407 -3.22273094432 -3.84357473139 1 16.7466970697 -5.130502478586E-02 -4.12393032748 6 4.42868586731 1.35626047301 0.252477484269 8 3.82938195486 3.56208325758 0.576406362775 7 2.71818896568 -0.506140006335 -9.280093005674E-02 1 3.27509805498 -2.22468116302 -0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 1.90115557994 0.684101664629 1 -0.922458262213 -1.31460329988 1.26745769935 1 -0.840700153890 -0.156106480461 -1.86072422508 ------------------------------------------------ 6 5.04401540573 5.065785560124E-17 -8.565768416162E-02 6 9.27990108396 9.396277336371E-17 2.94283641892 6 6.11045552513 2.27247789332 0.644730598780 6 6.11045552513 -2.27247789332 0.644730598780 6 8.22908048709 -2.26870089799 2.17155776959 6 8.22908048709 2.26870089799 2.17155776959 1 5.30807717985 4.00751998316 -1.696942951703E-02 1 5.30807717985 -4.00751998316 -1.696942951703E-02 1 9.06580730279 -4.02284755065 2.73828333892 1 9.06580730279 4.02284755065 2.73828333892 1 10.9268739609 1.108006638944E-16 4.12165702328 16 2.32566022845 2.288454205577E-17 -1.95862643609 8 2.24799399215 -2.36940193927 -3.26556451771 8 2.24799399215 2.36940193927 -3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 1.62837329388 0.493096431600 1 -0.817594738155 -1.62837329388 0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 12.2734251286 -0.428907088210 3.130417300445E-02 6 7.16512558575 0.605433656762 0.183825719733 6 10.5713708299 -2.37495748345 0.399070980710 6 11.4474717344 2.04279012262 -0.176766780326 6 8.89344536670 2.55194533980 -9.586430260886E-02 6 8.01368059796 -1.85426065145 0.469957115655 1 11.2546633574 -4.25736622768 0.680203900338 1 12.7976479862 3.53900012680 -0.347716707934 1 8.19737481149 4.44495294702 -0.221953717805 1 6.71862383287 -3.36899815646 0.820375895056 16 15.5058925312 -1.09988548484 -0.139878058083 8 16.8322621021 1.12838754297 0.629587328980 8 15.8847585470 -3.49504260894 1.06180455980 7 16.0744500874 -1.48770706952 -3.09912365385 1 16.0632182407 -3.22273094432 -3.84357473139 1 16.7466970697 -5.130502478586E-02 -4.12393032748 6 4.42868586731 1.35626047301 0.252477484269 8 3.82938195486 3.56208325758 0.576406362775 7 2.71818896568 -0.506140006335 -9.280093005674E-02 1 3.27509805498 -2.22468116302 -0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 1.90115557994 0.684101664629 1 -0.922458262213 -1.31460329988 1.26745769935 1 -0.840700153890 -0.156106480461 -1.86072422508 ------------------------------------------------ 6 8.11007909745 -8.556435899195E-18 -0.100897097935 6 2.86329951331 -2.922536611154E-18 -7.349736953064E-02 6 6.80777063774 -2.26567639154 -0.121232299609 6 6.80777063774 2.26567639154 -0.121232299609 6 4.19897121896 2.25839811190 -9.895828809266E-02 6 4.19897121896 -2.25839811190 -9.895828809266E-02 1 7.83682406515 -4.00573551491 -0.201208431763 1 7.83682406515 4.00573551491 -0.201208431763 1 3.19435364603 4.01778780932 -0.125815986880 1 3.19435364603 -4.01778780932 -0.125815986880 16 11.4059109298 -1.222287901647E-17 -6.903234852523E-02 8 12.2226557176 2.36966347735 -1.09351831769 8 12.2226557176 -2.36966347735 -1.09351831769 7 12.1903871090 -2.070990068685E-17 2.87084462677 1 12.5792272181 -1.62848573258 3.74230825804 1 12.5792272181 1.62848573258 3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 -4.336273740756E-18 1.94437378897 1 -0.758564487207 1.65923610975 -0.927043031519 1 -0.758564487207 -1.65923610975 -0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 12.2734251286 -0.428907088210 3.130417300445E-02 6 7.16512558575 0.605433656762 0.183825719733 6 10.5713708299 -2.37495748345 0.399070980710 6 11.4474717344 2.04279012262 -0.176766780326 6 8.89344536670 2.55194533980 -9.586430260886E-02 6 8.01368059796 -1.85426065145 0.469957115655 1 11.2546633574 -4.25736622768 0.680203900338 1 12.7976479862 3.53900012680 -0.347716707934 1 8.19737481149 4.44495294702 -0.221953717805 1 6.71862383287 -3.36899815646 0.820375895056 16 15.5058925312 -1.09988548484 -0.139878058083 8 16.8322621021 1.12838754297 0.629587328980 8 15.8847585470 -3.49504260894 1.06180455980 7 16.0744500874 -1.48770706952 -3.09912365385 1 16.0632182407 -3.22273094432 -3.84357473139 1 16.7466970697 -5.130502478586E-02 -4.12393032748 6 4.42868586731 1.35626047301 0.252477484269 8 3.82938195486 3.56208325758 0.576406362775 7 2.71818896568 -0.506140006335 -9.280093005674E-02 1 3.27509805498 -2.22468116302 -0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 1.90115557994 0.684101664629 1 -0.922458262213 -1.31460329988 1.26745769935 1 -0.840700153890 -0.156106480461 -1.86072422508 ------------------------------------------------ 6 9.49515614095 1.986230634504E-17 0.330909318726 6 4.54766506655 -1.418482302241E-17 -1.41449070261 6 8.25938767444 2.26624765571 -7.914581718090E-02 6 8.25938767444 -2.26624765571 -7.914581718090E-02 6 5.80247435955 -2.25843288285 -0.956589914867 6 5.80247435955 2.25843288285 -0.956589914867 1 9.20891937494 4.00630432243 0.325801090800 1 9.20891937494 -4.00630432243 0.325801090800 1 4.84800788582 -4.01788928760 -1.27432519389 1 4.84800788582 4.01788928760 -1.27432519389 16 12.6215076530 4.047871219384E-17 1.37421975164 8 13.0597966465 -2.36964987132 2.60912294465 8 13.0597966465 2.36964987132 2.60912294465 7 14.3219760733 5.129921083899E-18 -1.14895839935 1 14.9723537348 1.62851785792 -1.84712919698 1 14.9723537348 -1.62851785792 -1.84712919698 6 1.82011448549 -3.162508651201E-17 -2.28845439361 1 1.46450096442 -1.65231782291 -3.44535547264 1 1.46450096442 1.65231782291 -3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 -1.65855864299 1.15861699465 1 0.312880607522 1.65855864299 1.15861699465 1 -1.95068478995 -1.250653597013E-17 -0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 12.2734251286 -0.428907088210 3.130417300445E-02 6 7.16512558575 0.605433656762 0.183825719733 6 10.5713708299 -2.37495748345 0.399070980710 6 11.4474717344 2.04279012262 -0.176766780326 6 8.89344536670 2.55194533980 -9.586430260886E-02 6 8.01368059796 -1.85426065145 0.469957115655 1 11.2546633574 -4.25736622768 0.680203900338 1 12.7976479862 3.53900012680 -0.347716707934 1 8.19737481149 4.44495294702 -0.221953717805 1 6.71862383287 -3.36899815646 0.820375895056 16 15.5058925312 -1.09988548484 -0.139878058083 8 16.8322621021 1.12838754297 0.629587328980 8 15.8847585470 -3.49504260894 1.06180455980 7 16.0744500874 -1.48770706952 -3.09912365385 1 16.0632182407 -3.22273094432 -3.84357473139 1 16.7466970697 -5.130502478586E-02 -4.12393032748 6 4.42868586731 1.35626047301 0.252477484269 8 3.82938195486 3.56208325758 0.576406362775 7 2.71818896568 -0.506140006335 -9.280093005674E-02 1 3.27509805498 -2.22468116302 -0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 1.90115557994 0.684101664629 1 -0.922458262213 -1.31460329988 1.26745769935 1 -0.840700153890 -0.156106480461 -1.86072422508 ------------------------------------------------ 6 12.3462848294 8.276065163872E-20 0.219629035968 6 7.27697590475 -1.666425406161E-18 -1.13352461031 6 11.0821729337 2.26629036351 -9.228879249722E-02 6 11.0821729337 -2.26629036351 -9.228879249722E-02 6 8.56408820998 -2.25853587292 -0.774654122839 6 8.56408820998 2.25853587292 -0.774654122839 1 12.0604999845 4.00629846428 0.237334526856 1 12.0604999845 -4.00629846428 0.237334526856 1 7.58747623906 -4.01782409206 -1.01660875510 1 7.58747623906 4.01782409206 -1.01660875510 16 15.5446672699 1.106855929460E-18 1.01482146618 8 16.0785895276 -2.36961755701 2.21160547802 8 16.0785895276 2.36961755701 2.21160547802 7 17.0423265084 -2.516184840979E-18 -1.63372129060 1 17.6356158799 1.62852220429 -2.38095755132 1 17.6356158799 -1.62852220429 -2.38095755132 6 4.48973225005 -2.504801715792E-18 -1.78668016231 1 4.03784923022 -1.65364233185 -2.91036104922 1 4.03784923022 1.65364233185 -2.91036104922 6 2.84178543494 8.061817684800E-19 0.630150435706 1 3.30689183592 -1.64977444070 1.75284818480 1 3.30689183592 1.64977444070 1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 -1.66081705451 -1.09295879416 1 -1.12447528227 2.345093436379E-18 1.71233470070 1 -0.500643208584 1.66081705451 -1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide ------------------------------------------------ 6 12.2734251286 -0.428907088210 3.130417300445E-02 6 7.16512558575 0.605433656762 0.183825719733 6 10.5713708299 -2.37495748345 0.399070980710 6 11.4474717344 2.04279012262 -0.176766780326 6 8.89344536670 2.55194533980 -9.586430260886E-02 6 8.01368059796 -1.85426065145 0.469957115655 1 11.2546633574 -4.25736622768 0.680203900338 1 12.7976479862 3.53900012680 -0.347716707934 1 8.19737481149 4.44495294702 -0.221953717805 1 6.71862383287 -3.36899815646 0.820375895056 16 15.5058925312 -1.09988548484 -0.139878058083 8 16.8322621021 1.12838754297 0.629587328980 8 15.8847585470 -3.49504260894 1.06180455980 7 16.0744500874 -1.48770706952 -3.09912365385 1 16.0632182407 -3.22273094432 -3.84357473139 1 16.7466970697 -5.130502478586E-02 -4.12393032748 6 4.42868586731 1.35626047301 0.252477484269 8 3.82938195486 3.56208325758 0.576406362775 7 2.71818896568 -0.506140006335 -9.280093005674E-02 1 3.27509805498 -2.22468116302 -0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 1.90115557994 0.684101664629 1 -0.922458262213 -1.31460329988 1.26745769935 1 -0.840700153890 -0.156106480461 -1.86072422508 ------------------------------------------------ 6 14.1238159113 -1.214503673567E-17 0.678437661017 6 9.44100667607 -7.329180195868E-17 -1.68836769331 6 12.9508759688 2.26624992338 0.112955994743 6 12.9508759688 -2.26624992338 0.112955994743 6 10.6269754875 -2.25848844080 -1.07270695836 6 10.6269754875 2.25848844080 -1.07270695836 1 13.8404298349 4.00630337757 0.636723693997 1 13.8404298349 -4.00630337757 0.636723693997 1 9.72086351835 -4.01774604637 -1.51016368205 1 9.72086351835 4.01774604637 -1.51016368205 16 17.0896510524 2.469474469544E-17 2.11542048055 8 17.3657436482 -2.36962001365 3.39654871916 8 17.3657436482 2.36962001365 3.39654871916 7 19.1011870389 -4.944166890890E-17 -0.167534197609 1 19.8356986120 1.62853921182 -0.776447021723 1 19.8356986120 -1.62853921182 -0.776447021723 6 6.84711615725 -1.041405701228E-16 -2.90008400935 1 6.63682781461 1.65387609096 -4.09248466188 1 6.63682781461 -1.65387609096 -4.09248466188 6 4.74105840551 -3.748430357849E-17 -0.870168924938 1 4.96583213621 1.65095665328 0.325145161310 1 4.96583213621 -1.65095665328 0.325145161310 6 2.07671001580 -6.693452376398E-17 -2.04129882743 1 1.86017810411 1.65244972578 -3.23844110052 1 1.86017810411 -1.65244972578 -3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 1.66008648645 1.19157111842 1 -1.86482588637 -2.150045959666E-17 -0.848869041688 1 0.161115980412 -1.66008648645 1.19157111842 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide --> 6-*- 6 (6)4-Am-Benzenesulfonamide ------------------------------------------------ 6 12.2734251286 -0.428907088210 3.130417300445E-02 6 7.16512558575 0.605433656762 0.183825719733 6 10.5713708299 -2.37495748345 0.399070980710 6 11.4474717344 2.04279012262 -0.176766780326 6 8.89344536670 2.55194533980 -9.586430260886E-02 6 8.01368059796 -1.85426065145 0.469957115655 1 11.2546633574 -4.25736622768 0.680203900338 1 12.7976479862 3.53900012680 -0.347716707934 1 8.19737481149 4.44495294702 -0.221953717805 1 6.71862383287 -3.36899815646 0.820375895056 16 15.5058925312 -1.09988548484 -0.139878058083 8 16.8322621021 1.12838754297 0.629587328980 8 15.8847585470 -3.49504260894 1.06180455980 7 16.0744500874 -1.48770706952 -3.09912365385 1 16.0632182407 -3.22273094432 -3.84357473139 1 16.7466970697 -5.130502478586E-02 -4.12393032748 6 4.42868586731 1.35626047301 0.252477484269 8 3.82938195486 3.56208325758 0.576406362775 7 2.71818896568 -0.506140006335 -9.280093005674E-02 1 3.27509805498 -2.22468116302 -0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 1.90115557994 0.684101664629 1 -0.922458262213 -1.31460329988 1.26745769935 1 -0.840700153890 -0.156106480461 -1.86072422508 ------------------------------------------------ 6 16.9068057473 0.243177970445 -1.059325119563E-16 6 12.0155875324 -1.65600530852 -7.874007219591E-16 6 15.7028346951 -0.252939874960 -2.26622819153 6 15.7028346951 -0.252939874960 2.26622819153 6 13.2672687790 -1.18799231963 2.25851621977 6 13.2672687790 -1.18799231963 -2.25851621977 1 16.6905927723 4.935959543974E-02 -4.00587781127 1 16.6905927723 4.935959543974E-02 4.00587781127 1 12.3418929399 -1.58361797677 4.01758126227 1 12.3418929399 -1.58361797677 -4.01758126227 16 19.9613139677 1.48061075670 3.396565444380E-16 8 21.0975033451 0.827628604396 2.36965497358 8 21.0975033451 0.827628604396 -2.36965497358 7 19.6140817394 4.50363661503 1.520890767875E-15 1 19.6563448244 5.45686048237 -1.62850009449 1 19.6563448244 5.45686048237 1.62850009449 6 9.31463490683 -2.60509907624 -1.124910972962E-15 1 8.98767928251 -3.77103356608 -1.65353820795 1 8.98767928251 -3.77103356608 1.65353820795 6 7.41754404250 -0.378508099205 -2.354035425308E-16 1 7.75886683358 0.788097380015 -1.65185162751 1 7.75886683358 0.788097380015 1.65185162751 6 4.65268631611 -1.28701345345 -5.563510498846E-16 1 4.32004736793 -2.45842354097 -1.65339251008 1 4.32004736793 -2.45842354097 1.65339251008 6 2.76072678768 0.925807775628 3.277337893163E-16 1 3.09073708924 2.09665994535 -1.65204135600 1 3.09073708924 2.09665994535 1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 -1.14184653845 -1.66034613480 1 -1.30590878374 1.57901648689 6.303379891292E-16 1 -0.377248445559 -1.14184653845 1.66034613480 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide ------------------------------------------------ 6 12.2734251286 -0.428907088210 3.130417300445E-02 6 7.16512558575 0.605433656762 0.183825719733 6 10.5713708299 -2.37495748345 0.399070980710 6 11.4474717344 2.04279012262 -0.176766780326 6 8.89344536670 2.55194533980 -9.586430260886E-02 6 8.01368059796 -1.85426065145 0.469957115655 1 11.2546633574 -4.25736622768 0.680203900338 1 12.7976479862 3.53900012680 -0.347716707934 1 8.19737481149 4.44495294702 -0.221953717805 1 6.71862383287 -3.36899815646 0.820375895056 16 15.5058925312 -1.09988548484 -0.139878058083 8 16.8322621021 1.12838754297 0.629587328980 8 15.8847585470 -3.49504260894 1.06180455980 7 16.0744500874 -1.48770706952 -3.09912365385 1 16.0632182407 -3.22273094432 -3.84357473139 1 16.7466970697 -5.130502478586E-02 -4.12393032748 6 4.42868586731 1.35626047301 0.252477484269 8 3.82938195486 3.56208325758 0.576406362775 7 2.71818896568 -0.506140006335 -9.280093005674E-02 1 3.27509805498 -2.22468116302 -0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 1.90115557994 0.684101664629 1 -0.922458262213 -1.31460329988 1.26745769935 1 -0.840700153890 -0.156106480461 -1.86072422508 ------------------------------------------------ 6 12.0127056291 -0.467319191248 0.111806432972 6 6.97352093600 0.759917308701 4.748266917407E-02 6 10.2217532895 -2.37079219426 0.152809003460 6 11.3033419938 2.04980757052 9.307700569057E-02 6 8.76972951282 2.66113662451 5.092383423729E-02 6 7.68607351310 -1.75397861179 0.112223563757 1 10.8183018721 -4.29997421278 0.259688127616 1 12.7207799808 3.49060386186 0.155267676093 1 8.15790328645 4.58878364063 3.776105769249E-02 1 6.26630294078 -3.18887845369 0.146456888627 16 15.2263520177 -1.25494370756 8.406950718910E-02 8 16.5763713396 0.857729096636 1.09992283794 8 15.4471228542 -3.74394477194 1.12115495093 7 15.9595091226 -1.44681230628 -2.85648386684 1 15.9368640683 -3.12142107712 -3.72820018659 1 16.7225609771 3.868535428217E-02 -3.73740008869 6 4.28110783217 1.51706821998 4.380793909740E-03 8 3.53735775286 3.67127241182 -4.627237069106E-02 8 2.70645115658 -0.479140449071 2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 1.08656629775 1.64022531142 1 -0.866069129495 -1.83937203385 2.906081667564E-02 1 -0.516390062658 1.02531407580 -1.68530034526 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide ------------------------------------------------ 6 12.2734251286 -0.428907088210 3.130417300445E-02 6 7.16512558575 0.605433656762 0.183825719733 6 10.5713708299 -2.37495748345 0.399070980710 6 11.4474717344 2.04279012262 -0.176766780326 6 8.89344536670 2.55194533980 -9.586430260886E-02 6 8.01368059796 -1.85426065145 0.469957115655 1 11.2546633574 -4.25736622768 0.680203900338 1 12.7976479862 3.53900012680 -0.347716707934 1 8.19737481149 4.44495294702 -0.221953717805 1 6.71862383287 -3.36899815646 0.820375895056 16 15.5058925312 -1.09988548484 -0.139878058083 8 16.8322621021 1.12838754297 0.629587328980 8 15.8847585470 -3.49504260894 1.06180455980 7 16.0744500874 -1.48770706952 -3.09912365385 1 16.0632182407 -3.22273094432 -3.84357473139 1 16.7466970697 -5.130502478586E-02 -4.12393032748 6 4.42868586731 1.35626047301 0.252477484269 8 3.82938195486 3.56208325758 0.576406362775 7 2.71818896568 -0.506140006335 -9.280093005674E-02 1 3.27509805498 -2.22468116302 -0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 1.90115557994 0.684101664629 1 -0.922458262213 -1.31460329988 1.26745769935 1 -0.840700153890 -0.156106480461 -1.86072422508 ------------------------------------------------ 6 9.25649635012 1.80846527957 9.292601243073E-02 6 4.49653007628 -0.252386364964 5.563329730033E-02 6 8.97661510100 -0.790299344150 0.119114341606 6 7.17209172246 3.38798511785 0.102169685012 6 4.78224687467 2.34735739516 7.329320901833E-02 6 6.58177520099 -1.82758693433 9.237860791359E-02 1 10.6170947155 -1.96958871556 0.204027651419 1 7.43391914542 5.39176377246 0.175377186833 1 3.13114524169 3.51529832560 8.157662744579E-02 1 6.31465409765 -3.82860234946 0.115984151186 16 12.2941652834 3.11903583590 4.829871274683E-02 8 12.1064542125 5.60990047425 1.08680327140 8 13.9812398042 1.25851015147 1.05437846650 7 12.9682120575 3.43319864541 -2.89600901229 1 13.9516579638 2.09107340260 -3.78830088073 1 12.6725674087 5.08557002470 -3.76041888038 6 1.89086902464 -1.27466774715 2.847109335790E-02 8 1.83775228380 -3.81438709360 3.668617006514E-02 6 -0.611334772331 -5.09553939230 2.759474634627E-02 1 -1.67193584771 -4.49484752416 1.66284241111 1 -1.63290597596 -4.54650767572 -1.65033477868 6 -2.628882640013E-02 -7.90958602311 7.826139859268E-02 1 1.04055063371 -8.37091267308 1.76016592182 1 1.08118978950 -8.42305482102 -1.56183569609 1 -1.76381943467 -8.99262746496 7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide ------------------------------------------------ 6 12.2734251286 -0.428907088210 3.130417300445E-02 6 7.16512558575 0.605433656762 0.183825719733 6 10.5713708299 -2.37495748345 0.399070980710 6 11.4474717344 2.04279012262 -0.176766780326 6 8.89344536670 2.55194533980 -9.586430260886E-02 6 8.01368059796 -1.85426065145 0.469957115655 1 11.2546633574 -4.25736622768 0.680203900338 1 12.7976479862 3.53900012680 -0.347716707934 1 8.19737481149 4.44495294702 -0.221953717805 1 6.71862383287 -3.36899815646 0.820375895056 16 15.5058925312 -1.09988548484 -0.139878058083 8 16.8322621021 1.12838754297 0.629587328980 8 15.8847585470 -3.49504260894 1.06180455980 7 16.0744500874 -1.48770706952 -3.09912365385 1 16.0632182407 -3.22273094432 -3.84357473139 1 16.7466970697 -5.130502478586E-02 -4.12393032748 6 4.42868586731 1.35626047301 0.252477484269 8 3.82938195486 3.56208325758 0.576406362775 7 2.71818896568 -0.506140006335 -9.280093005674E-02 1 3.27509805498 -2.22468116302 -0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 1.90115557994 0.684101664629 1 -0.922458262213 -1.31460329988 1.26745769935 1 -0.840700153890 -0.156106480461 -1.86072422508 ------------------------------------------------ 6 16.2691799750 0.861123974289 -0.131186883282 6 11.5121945621 -1.20427204035 -2.028457912686E-02 6 14.1804039648 2.43212467262 -0.170027955664 6 15.9979271981 -1.73975638478 -9.085209513991E-02 6 13.6053532164 -2.77244247494 -2.499575182470E-02 6 11.7868447762 1.39343219905 -0.106330752902 1 14.4397111888 4.43379554927 -0.293347888880 1 17.6391790059 -2.91927288464 -0.155077522013 1 13.3297352136 -4.77580185192 5.280276989638E-03 1 10.1431555114 2.56525744119 -0.138937307621 16 19.3020004227 2.18348775204 -0.134299477251 8 20.9842079738 0.325733494236 -1.15270139607 8 19.0886880558 4.66812122535 -1.18366001761 7 20.0154046741 2.51391842666 2.79896253743 1 19.7140075146 4.16469009410 3.66423830225 1 21.0264342221 1.18451012097 3.67951649332 6 8.98524438142 -2.40710164988 4.683800638368E-02 8 8.62404088094 -4.65762117820 0.119145313158 8 7.09521260910 -0.710056286046 2.027193485411E-02 6 4.48588899364 -1.61442012240 6.043557639931E-02 1 4.18402977757 -2.83160191470 -1.54997335048 1 4.18851510037 -2.69852442655 1.76429702456 6 2.81774658260 0.727728392362 -3.131445935321E-02 1 3.26511634385 1.91346199534 1.57535965464 1 3.26258594609 1.78075553052 -1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 1.67378352623 -6.601676572586E-02 1 -0.468128283684 -1.03824231167 1.70442814436 1 -0.470300494955 -1.17038221894 -1.61582801791 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide ------------------------------------------------ 6 12.2734251286 -0.428907088210 3.130417300445E-02 6 7.16512558575 0.605433656762 0.183825719733 6 10.5713708299 -2.37495748345 0.399070980710 6 11.4474717344 2.04279012262 -0.176766780326 6 8.89344536670 2.55194533980 -9.586430260886E-02 6 8.01368059796 -1.85426065145 0.469957115655 1 11.2546633574 -4.25736622768 0.680203900338 1 12.7976479862 3.53900012680 -0.347716707934 1 8.19737481149 4.44495294702 -0.221953717805 1 6.71862383287 -3.36899815646 0.820375895056 16 15.5058925312 -1.09988548484 -0.139878058083 8 16.8322621021 1.12838754297 0.629587328980 8 15.8847585470 -3.49504260894 1.06180455980 7 16.0744500874 -1.48770706952 -3.09912365385 1 16.0632182407 -3.22273094432 -3.84357473139 1 16.7466970697 -5.130502478586E-02 -4.12393032748 6 4.42868586731 1.35626047301 0.252477484269 8 3.82938195486 3.56208325758 0.576406362775 7 2.71818896568 -0.506140006335 -9.280093005674E-02 1 3.27509805498 -2.22468116302 -0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 1.90115557994 0.684101664629 1 -0.922458262213 -1.31460329988 1.26745769935 1 -0.840700153890 -0.156106480461 -1.86072422508 ------------------------------------------------ 6 17.9684279399 1.54301176377 -0.149693423226 6 13.6326730870 -1.30132688262 -2.138183749743E-02 6 15.6426740929 2.73563073422 -0.189786012449 6 18.1438750705 -1.06604052147 -9.962044033802E-02 6 15.9621451629 -2.49057033907 -2.523220981312E-02 6 13.4610204855 1.30509459913 -0.117287370756 1 15.5573431966 4.75166639252 -0.321088296824 1 19.9617870444 -1.94922244854 -0.163264253275 1 16.0314585342 -4.51140907128 1.239461845501E-02 1 11.6418341179 2.17978662007 -0.150641401029 16 20.7317846783 3.36204210634 -0.163987391502 8 22.7051478607 1.81249173186 -1.17548489088 8 20.0987699462 5.76903704384 -1.22508771415 7 21.3801516200 3.82469400623 2.76690153273 1 20.8048852121 5.40607792939 3.62309870587 1 22.6005200302 2.68935847433 3.65393602741 6 11.3472294671 -2.91626214998 5.651370344789E-02 8 9.19665552725 -1.56522590120 3.245613991045E-02 6 6.77856962350 -2.90016097853 8.749655544515E-02 1 6.67652246165 -4.14495637472 -1.52674105702 1 6.68550306343 -4.02593032336 1.78755983989 6 4.73704841955 -0.874096953142 1.969560988444E-02 1 4.98065500262 0.246176556333 -1.67702200013 1 4.98893864106 0.366141886882 1.62964287548 8 11.3745245833 -5.19521098803 0.135688264964 6 2.07271853085 -2.04310727132 6.880948422220E-02 1 1.85408721205 -3.17805095775 1.76397604453 1 1.84594669663 -3.29720682002 -1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 1.24962477650 1.61609500694 1 -1.86381093455 -0.848750824383 3.507941596838E-02 1 0.158113135931 1.12952769314 -1.70286806009 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide --> 11-*- 11 (11)4-COOAm-benzenesulfonamide ------------------------------------------------ 6 12.2734251286 -0.428907088210 3.130417300445E-02 6 7.16512558575 0.605433656762 0.183825719733 6 10.5713708299 -2.37495748345 0.399070980710 6 11.4474717344 2.04279012262 -0.176766780326 6 8.89344536670 2.55194533980 -9.586430260886E-02 6 8.01368059796 -1.85426065145 0.469957115655 1 11.2546633574 -4.25736622768 0.680203900338 1 12.7976479862 3.53900012680 -0.347716707934 1 8.19737481149 4.44495294702 -0.221953717805 1 6.71862383287 -3.36899815646 0.820375895056 16 15.5058925312 -1.09988548484 -0.139878058083 8 16.8322621021 1.12838754297 0.629587328980 8 15.8847585470 -3.49504260894 1.06180455980 7 16.0744500874 -1.48770706952 -3.09912365385 1 16.0632182407 -3.22273094432 -3.84357473139 1 16.7466970697 -5.130502478586E-02 -4.12393032748 6 4.42868586731 1.35626047301 0.252477484269 8 3.82938195486 3.56208325758 0.576406362775 7 2.71818896568 -0.506140006335 -9.280093005674E-02 1 3.27509805498 -2.22468116302 -0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 1.90115557994 0.684101664629 1 -0.922458262213 -1.31460329988 1.26745769935 1 -0.840700153890 -0.156106480461 -1.86072422508 ------------------------------------------------ 6 20.7940103927 -1.18292577645 0.135748344237 6 16.2553748543 1.32561650568 1.898358840442E-02 6 18.5653398548 -2.54782901355 0.185991958815 6 20.7714899222 1.43194635192 8.119491494154E-02 6 18.4881809521 2.68752983337 1.268047644927E-02 6 16.2816292072 -1.28621992460 0.119293218161 1 18.6330826801 -4.56430368467 0.320494210942 1 22.5176825572 2.45010794741 0.136961916771 1 18.4044365481 4.70774521966 -2.810073710092E-02 1 14.5338256999 -2.29576106594 0.160475355254 16 23.6871881374 -2.78742501086 0.142668366748 8 25.5411157417 -1.09148804236 1.14525598407 8 23.2417958312 -5.23383132605 1.20898679380 7 24.3589360690 -3.20370291968 -2.78991772878 1 23.9091509095 -4.82809819444 -3.64057141352 1 25.4806790933 -1.97605258766 -3.68426382740 6 13.8540126043 2.76296861394 -5.303453877654E-02 8 11.8120703378 1.25321399795 -2.008307004224E-02 6 9.29901118039 2.40045989565 -6.905102121977E-02 1 9.10783205313 3.63690786172 1.54345602431 1 9.11551718001 3.51245649883 -1.77073227684 6 7.41759711942 0.225163913710 8.381954772778E-03 1 7.75164296187 -0.869303738938 1.70652575015 1 7.75918159098 -0.994644284689 -1.60061304784 8 13.7086109469 5.03734953143 -0.135183415616 6 4.67345055952 1.19177646373 -3.443655708758E-02 1 4.36347393069 2.30467041402 -1.73186035831 1 4.35593551642 2.42824308851 1.57363269202 6 2.73979046465 -0.982603093803 4.252073111888E-02 1 3.05064854136 -2.21942573316 -1.56427419659 1 3.04356406783 -2.09606747732 1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 1.08637600396 -1.70287631133 1 -0.357289139629 1.20966193729 1.61602453331 1 -1.33734281519 -1.55130517970 5.488380719168E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide ------------------------------------------------ 6 12.2734251286 -0.428907088210 3.130417300445E-02 6 7.16512558575 0.605433656762 0.183825719733 6 10.5713708299 -2.37495748345 0.399070980710 6 11.4474717344 2.04279012262 -0.176766780326 6 8.89344536670 2.55194533980 -9.586430260886E-02 6 8.01368059796 -1.85426065145 0.469957115655 1 11.2546633574 -4.25736622768 0.680203900338 1 12.7976479862 3.53900012680 -0.347716707934 1 8.19737481149 4.44495294702 -0.221953717805 1 6.71862383287 -3.36899815646 0.820375895056 16 15.5058925312 -1.09988548484 -0.139878058083 8 16.8322621021 1.12838754297 0.629587328980 8 15.8847585470 -3.49504260894 1.06180455980 7 16.0744500874 -1.48770706952 -3.09912365385 1 16.0632182407 -3.22273094432 -3.84357473139 1 16.7466970697 -5.130502478586E-02 -4.12393032748 6 4.42868586731 1.35626047301 0.252477484269 8 3.82938195486 3.56208325758 0.576406362775 7 2.71818896568 -0.506140006335 -9.280093005674E-02 1 3.27509805498 -2.22468116302 -0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 1.90115557994 0.684101664629 1 -0.922458262213 -1.31460329988 1.26745769935 1 -0.840700153890 -0.156106480461 -1.86072422508 ------------------------------------------------ 6 22.6680723895 1.90654821224 -0.175233423843 6 18.4884955220 -1.16205594440 -2.429127256041E-02 6 20.2830274345 2.97597725977 -0.173664688758 6 22.9799650421 -0.690079737778 -0.155208703405 6 20.8766221032 -2.22748679265 -6.903817015508E-02 6 18.1799381157 1.43239889865 -8.995095951044E-02 1 20.0909835172 4.98607533718 -0.281845826277 1 24.8405388049 -1.47638787062 -0.250726882769 1 21.0517072441 -4.24227251958 -5.371272626672E-02 1 16.3172055949 2.21104024810 -9.170563306660E-02 16 25.3324936821 3.86769909134 -0.204282249485 8 27.3689282330 2.43608131514 -1.26337330774 8 24.5588648910 6.25073611663 -1.22544756910 7 25.9991456410 4.32704671165 2.72259774632 1 25.3514763748 5.86285263510 3.60932921947 1 27.2925393220 3.24838521296 3.57606690334 6 16.2916230451 -2.89540499983 6.179565244721E-02 8 14.0727663740 -1.65964926922 7.242285012777E-02 6 11.7286122162 -3.12131087053 0.129207796905 1 11.6916371367 -4.36862899705 -1.48585984781 1 11.6980732731 -4.25127283221 1.82879684924 6 9.58109439663 -1.20776499556 6.511610601119E-02 1 9.76756866224 -7.139861485579E-02 -1.62808855633 1 9.76377736159 3.875539761361E-02 1.67952200771 8 16.4397777482 -5.17051756224 0.117582340473 6 6.98540215161 -2.52323506137 0.105275847922 1 6.82580399210 -3.67429399210 1.79800400123 1 6.83170567671 -3.78372128405 -1.50810456154 6 4.78702881724 -0.616612023999 3.768403587990E-02 1 4.93145580826 0.642205670084 1.65293843334 1 4.94358499840 0.538158692436 -1.65236070615 6 2.18592326697 -1.92237034783 6.880796847135E-02 1 2.02940000857 -3.07742276656 1.75724206468 1 2.04230086267 -3.18049871305 -1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 1.24972460005 1.62283624211 1 -1.81555813970 -0.949604486281 2.171294654113E-02 1 0.101559387270 1.14661307089 -1.69643499199 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 13.4991057155 -0.357473590767 0.713811663238 6 8.48076024177 0.503164540210 -0.416629781928 6 11.8631397624 -2.37874757162 0.473562136431 6 12.6300343135 2.09621222127 0.471550344568 6 10.1214739007 2.51780523488 -9.207153793854E-02 6 9.35258280198 -1.94453974915 -9.759660250163E-02 1 12.5459565012 -4.25659611519 0.784414249864 1 13.8986334476 3.64265027953 0.771481617840 1 9.38607236031 4.39164092392 -0.267910179188 1 8.09763925784 -3.52677510687 -0.221740185849 16 16.6935460046 -0.912646421298 1.35805736093 8 17.6544840841 1.28364835574 2.61076734769 8 16.8676643394 -3.38662077444 2.44146121239 7 18.0366372567 -1.03700758771 -1.36404066179 1 18.3163089429 -2.70480564337 -2.20359468998 1 18.8696549651 0.501492704799 -2.07432409737 6 5.78952802473 1.16981982693 -1.02631101775 8 5.04502030288 3.34753860849 -0.814795268017 7 4.26922563055 -0.704156458501 -1.84300557024 1 4.93783248921 -2.42933031646 -2.15895801923 6 1.59945609057 -0.196996634022 -2.41475962510 1 1.48860461593 1.55437999117 -3.45794673312 1 0.926691554047 -1.71487444573 -3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 -1.73213272312 1.08507996536 1 -1.96325947579 0.346439546764 -0.473696207925 1 0.684941159121 1.55321650721 1.13775889828 ------------------------------------------------ 6 5.04401540573 -5.065785560124E-17 8.565768416162E-02 6 9.27990108396 -9.396277336371E-17 -2.94283641892 6 6.11045552513 -2.27247789332 -0.644730598780 6 6.11045552513 2.27247789332 -0.644730598780 6 8.22908048709 2.26870089799 -2.17155776959 6 8.22908048709 -2.26870089799 -2.17155776959 1 5.30807717985 -4.00751998316 1.696942951703E-02 1 5.30807717985 4.00751998316 1.696942951703E-02 1 9.06580730279 4.02284755065 -2.73828333892 1 9.06580730279 -4.02284755065 -2.73828333892 1 10.9268739609 -1.108006638944E-16 -4.12165702328 16 2.32566022845 -2.288454205577E-17 1.95862643609 8 2.24799399215 2.36940193927 3.26556451771 8 2.24799399215 -2.36940193927 3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 -1.62837329388 -0.493096431600 1 -0.817594738155 1.62837329388 -0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 13.4991057155 -0.357473590767 0.713811663238 6 8.48076024177 0.503164540210 -0.416629781928 6 11.8631397624 -2.37874757162 0.473562136431 6 12.6300343135 2.09621222127 0.471550344568 6 10.1214739007 2.51780523488 -9.207153793854E-02 6 9.35258280198 -1.94453974915 -9.759660250163E-02 1 12.5459565012 -4.25659611519 0.784414249864 1 13.8986334476 3.64265027953 0.771481617840 1 9.38607236031 4.39164092392 -0.267910179188 1 8.09763925784 -3.52677510687 -0.221740185849 16 16.6935460046 -0.912646421298 1.35805736093 8 17.6544840841 1.28364835574 2.61076734769 8 16.8676643394 -3.38662077444 2.44146121239 7 18.0366372567 -1.03700758771 -1.36404066179 1 18.3163089429 -2.70480564337 -2.20359468998 1 18.8696549651 0.501492704799 -2.07432409737 6 5.78952802473 1.16981982693 -1.02631101775 8 5.04502030288 3.34753860849 -0.814795268017 7 4.26922563055 -0.704156458501 -1.84300557024 1 4.93783248921 -2.42933031646 -2.15895801923 6 1.59945609057 -0.196996634022 -2.41475962510 1 1.48860461593 1.55437999117 -3.45794673312 1 0.926691554047 -1.71487444573 -3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 -1.73213272312 1.08507996536 1 -1.96325947579 0.346439546764 -0.473696207925 1 0.684941159121 1.55321650721 1.13775889828 ------------------------------------------------ 6 8.11007909745 8.556435899195E-18 0.100897097935 6 2.86329951331 2.922536611154E-18 7.349736953064E-02 6 6.80777063774 2.26567639154 0.121232299609 6 6.80777063774 -2.26567639154 0.121232299609 6 4.19897121896 -2.25839811190 9.895828809266E-02 6 4.19897121896 2.25839811190 9.895828809266E-02 1 7.83682406515 4.00573551491 0.201208431763 1 7.83682406515 -4.00573551491 0.201208431763 1 3.19435364603 -4.01778780932 0.125815986880 1 3.19435364603 4.01778780932 0.125815986880 16 11.4059109298 1.222287901647E-17 6.903234852523E-02 8 12.2226557176 -2.36966347735 1.09351831769 8 12.2226557176 2.36966347735 1.09351831769 7 12.1903871090 2.070990068685E-17 -2.87084462677 1 12.5792272181 1.62848573258 -3.74230825804 1 12.5792272181 -1.62848573258 -3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 4.336273740756E-18 -1.94437378897 1 -0.758564487207 -1.65923610975 0.927043031519 1 -0.758564487207 1.65923610975 0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 13.4991057155 -0.357473590767 0.713811663238 6 8.48076024177 0.503164540210 -0.416629781928 6 11.8631397624 -2.37874757162 0.473562136431 6 12.6300343135 2.09621222127 0.471550344568 6 10.1214739007 2.51780523488 -9.207153793854E-02 6 9.35258280198 -1.94453974915 -9.759660250163E-02 1 12.5459565012 -4.25659611519 0.784414249864 1 13.8986334476 3.64265027953 0.771481617840 1 9.38607236031 4.39164092392 -0.267910179188 1 8.09763925784 -3.52677510687 -0.221740185849 16 16.6935460046 -0.912646421298 1.35805736093 8 17.6544840841 1.28364835574 2.61076734769 8 16.8676643394 -3.38662077444 2.44146121239 7 18.0366372567 -1.03700758771 -1.36404066179 1 18.3163089429 -2.70480564337 -2.20359468998 1 18.8696549651 0.501492704799 -2.07432409737 6 5.78952802473 1.16981982693 -1.02631101775 8 5.04502030288 3.34753860849 -0.814795268017 7 4.26922563055 -0.704156458501 -1.84300557024 1 4.93783248921 -2.42933031646 -2.15895801923 6 1.59945609057 -0.196996634022 -2.41475962510 1 1.48860461593 1.55437999117 -3.45794673312 1 0.926691554047 -1.71487444573 -3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 -1.73213272312 1.08507996536 1 -1.96325947579 0.346439546764 -0.473696207925 1 0.684941159121 1.55321650721 1.13775889828 ------------------------------------------------ 6 9.49515614095 -1.986230634504E-17 -0.330909318726 6 4.54766506655 1.418482302241E-17 1.41449070261 6 8.25938767444 -2.26624765571 7.914581718090E-02 6 8.25938767444 2.26624765571 7.914581718090E-02 6 5.80247435955 2.25843288285 0.956589914867 6 5.80247435955 -2.25843288285 0.956589914867 1 9.20891937494 -4.00630432243 -0.325801090800 1 9.20891937494 4.00630432243 -0.325801090800 1 4.84800788582 4.01788928760 1.27432519389 1 4.84800788582 -4.01788928760 1.27432519389 16 12.6215076530 -4.047871219384E-17 -1.37421975164 8 13.0597966465 2.36964987132 -2.60912294465 8 13.0597966465 -2.36964987132 -2.60912294465 7 14.3219760733 -5.129921083899E-18 1.14895839935 1 14.9723537348 -1.62851785792 1.84712919698 1 14.9723537348 1.62851785792 1.84712919698 6 1.82011448549 3.162508651201E-17 2.28845439361 1 1.46450096442 1.65231782291 3.44535547264 1 1.46450096442 -1.65231782291 3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 1.65855864299 -1.15861699465 1 0.312880607522 -1.65855864299 -1.15861699465 1 -1.95068478995 1.250653597013E-17 0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 13.4991057155 -0.357473590767 0.713811663238 6 8.48076024177 0.503164540210 -0.416629781928 6 11.8631397624 -2.37874757162 0.473562136431 6 12.6300343135 2.09621222127 0.471550344568 6 10.1214739007 2.51780523488 -9.207153793854E-02 6 9.35258280198 -1.94453974915 -9.759660250163E-02 1 12.5459565012 -4.25659611519 0.784414249864 1 13.8986334476 3.64265027953 0.771481617840 1 9.38607236031 4.39164092392 -0.267910179188 1 8.09763925784 -3.52677510687 -0.221740185849 16 16.6935460046 -0.912646421298 1.35805736093 8 17.6544840841 1.28364835574 2.61076734769 8 16.8676643394 -3.38662077444 2.44146121239 7 18.0366372567 -1.03700758771 -1.36404066179 1 18.3163089429 -2.70480564337 -2.20359468998 1 18.8696549651 0.501492704799 -2.07432409737 6 5.78952802473 1.16981982693 -1.02631101775 8 5.04502030288 3.34753860849 -0.814795268017 7 4.26922563055 -0.704156458501 -1.84300557024 1 4.93783248921 -2.42933031646 -2.15895801923 6 1.59945609057 -0.196996634022 -2.41475962510 1 1.48860461593 1.55437999117 -3.45794673312 1 0.926691554047 -1.71487444573 -3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 -1.73213272312 1.08507996536 1 -1.96325947579 0.346439546764 -0.473696207925 1 0.684941159121 1.55321650721 1.13775889828 ------------------------------------------------ 6 12.3462848294 -8.276065163872E-20 -0.219629035968 6 7.27697590475 1.666425406161E-18 1.13352461031 6 11.0821729337 -2.26629036351 9.228879249722E-02 6 11.0821729337 2.26629036351 9.228879249722E-02 6 8.56408820998 2.25853587292 0.774654122839 6 8.56408820998 -2.25853587292 0.774654122839 1 12.0604999845 -4.00629846428 -0.237334526856 1 12.0604999845 4.00629846428 -0.237334526856 1 7.58747623906 4.01782409206 1.01660875510 1 7.58747623906 -4.01782409206 1.01660875510 16 15.5446672699 -1.106855929460E-18 -1.01482146618 8 16.0785895276 2.36961755701 -2.21160547802 8 16.0785895276 -2.36961755701 -2.21160547802 7 17.0423265084 2.516184840979E-18 1.63372129060 1 17.6356158799 -1.62852220429 2.38095755132 1 17.6356158799 1.62852220429 2.38095755132 6 4.48973225005 2.504801715792E-18 1.78668016231 1 4.03784923022 1.65364233185 2.91036104922 1 4.03784923022 -1.65364233185 2.91036104922 6 2.84178543494 -8.061817684800E-19 -0.630150435706 1 3.30689183592 1.64977444070 -1.75284818480 1 3.30689183592 -1.64977444070 -1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 1.66081705451 1.09295879416 1 -1.12447528227 -2.345093436379E-18 -1.71233470070 1 -0.500643208584 -1.66081705451 1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide ------------------------------------------------ 6 13.4991057155 -0.357473590767 0.713811663238 6 8.48076024177 0.503164540210 -0.416629781928 6 11.8631397624 -2.37874757162 0.473562136431 6 12.6300343135 2.09621222127 0.471550344568 6 10.1214739007 2.51780523488 -9.207153793854E-02 6 9.35258280198 -1.94453974915 -9.759660250163E-02 1 12.5459565012 -4.25659611519 0.784414249864 1 13.8986334476 3.64265027953 0.771481617840 1 9.38607236031 4.39164092392 -0.267910179188 1 8.09763925784 -3.52677510687 -0.221740185849 16 16.6935460046 -0.912646421298 1.35805736093 8 17.6544840841 1.28364835574 2.61076734769 8 16.8676643394 -3.38662077444 2.44146121239 7 18.0366372567 -1.03700758771 -1.36404066179 1 18.3163089429 -2.70480564337 -2.20359468998 1 18.8696549651 0.501492704799 -2.07432409737 6 5.78952802473 1.16981982693 -1.02631101775 8 5.04502030288 3.34753860849 -0.814795268017 7 4.26922563055 -0.704156458501 -1.84300557024 1 4.93783248921 -2.42933031646 -2.15895801923 6 1.59945609057 -0.196996634022 -2.41475962510 1 1.48860461593 1.55437999117 -3.45794673312 1 0.926691554047 -1.71487444573 -3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 -1.73213272312 1.08507996536 1 -1.96325947579 0.346439546764 -0.473696207925 1 0.684941159121 1.55321650721 1.13775889828 ------------------------------------------------ 6 14.1238159113 -1.214503673567E-17 0.678437661017 6 9.44100667607 -7.329180195868E-17 -1.68836769331 6 12.9508759688 2.26624992338 0.112955994743 6 12.9508759688 -2.26624992338 0.112955994743 6 10.6269754875 -2.25848844080 -1.07270695836 6 10.6269754875 2.25848844080 -1.07270695836 1 13.8404298349 4.00630337757 0.636723693997 1 13.8404298349 -4.00630337757 0.636723693997 1 9.72086351835 -4.01774604637 -1.51016368205 1 9.72086351835 4.01774604637 -1.51016368205 16 17.0896510524 2.469474469544E-17 2.11542048055 8 17.3657436482 -2.36962001365 3.39654871916 8 17.3657436482 2.36962001365 3.39654871916 7 19.1011870389 -4.944166890890E-17 -0.167534197609 1 19.8356986120 1.62853921182 -0.776447021723 1 19.8356986120 -1.62853921182 -0.776447021723 6 6.84711615725 -1.041405701228E-16 -2.90008400935 1 6.63682781461 1.65387609096 -4.09248466188 1 6.63682781461 -1.65387609096 -4.09248466188 6 4.74105840551 -3.748430357849E-17 -0.870168924938 1 4.96583213621 1.65095665328 0.325145161310 1 4.96583213621 -1.65095665328 0.325145161310 6 2.07671001580 -6.693452376398E-17 -2.04129882743 1 1.86017810411 1.65244972578 -3.23844110052 1 1.86017810411 -1.65244972578 -3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 1.66008648645 1.19157111842 1 -1.86482588637 -2.150045959666E-17 -0.848869041688 1 0.161115980412 -1.66008648645 1.19157111842 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide --> 6-*- 6 (6)4-Am-Benzenesulfonamide ------------------------------------------------ 6 13.4991057155 -0.357473590767 0.713811663238 6 8.48076024177 0.503164540210 -0.416629781928 6 11.8631397624 -2.37874757162 0.473562136431 6 12.6300343135 2.09621222127 0.471550344568 6 10.1214739007 2.51780523488 -9.207153793854E-02 6 9.35258280198 -1.94453974915 -9.759660250163E-02 1 12.5459565012 -4.25659611519 0.784414249864 1 13.8986334476 3.64265027953 0.771481617840 1 9.38607236031 4.39164092392 -0.267910179188 1 8.09763925784 -3.52677510687 -0.221740185849 16 16.6935460046 -0.912646421298 1.35805736093 8 17.6544840841 1.28364835574 2.61076734769 8 16.8676643394 -3.38662077444 2.44146121239 7 18.0366372567 -1.03700758771 -1.36404066179 1 18.3163089429 -2.70480564337 -2.20359468998 1 18.8696549651 0.501492704799 -2.07432409737 6 5.78952802473 1.16981982693 -1.02631101775 8 5.04502030288 3.34753860849 -0.814795268017 7 4.26922563055 -0.704156458501 -1.84300557024 1 4.93783248921 -2.42933031646 -2.15895801923 6 1.59945609057 -0.196996634022 -2.41475962510 1 1.48860461593 1.55437999117 -3.45794673312 1 0.926691554047 -1.71487444573 -3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 -1.73213272312 1.08507996536 1 -1.96325947579 0.346439546764 -0.473696207925 1 0.684941159121 1.55321650721 1.13775889828 ------------------------------------------------ 6 16.9068057473 -0.243177970445 1.059325119563E-16 6 12.0155875324 1.65600530852 7.874007219591E-16 6 15.7028346951 0.252939874960 2.26622819153 6 15.7028346951 0.252939874960 -2.26622819153 6 13.2672687790 1.18799231963 -2.25851621977 6 13.2672687790 1.18799231963 2.25851621977 1 16.6905927723 -4.935959543974E-02 4.00587781127 1 16.6905927723 -4.935959543974E-02 -4.00587781127 1 12.3418929399 1.58361797677 -4.01758126227 1 12.3418929399 1.58361797677 4.01758126227 16 19.9613139677 -1.48061075670 -3.396565444380E-16 8 21.0975033451 -0.827628604396 -2.36965497358 8 21.0975033451 -0.827628604396 2.36965497358 7 19.6140817394 -4.50363661503 -1.520890767875E-15 1 19.6563448244 -5.45686048237 1.62850009449 1 19.6563448244 -5.45686048237 -1.62850009449 6 9.31463490683 2.60509907624 1.124910972962E-15 1 8.98767928251 3.77103356608 1.65353820795 1 8.98767928251 3.77103356608 -1.65353820795 6 7.41754404250 0.378508099205 2.354035425308E-16 1 7.75886683358 -0.788097380015 1.65185162751 1 7.75886683358 -0.788097380015 -1.65185162751 6 4.65268631611 1.28701345345 5.563510498846E-16 1 4.32004736793 2.45842354097 1.65339251008 1 4.32004736793 2.45842354097 -1.65339251008 6 2.76072678768 -0.925807775628 -3.277337893163E-16 1 3.09073708924 -2.09665994535 1.65204135600 1 3.09073708924 -2.09665994535 -1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 1.14184653845 1.66034613480 1 -1.30590878374 -1.57901648689 -6.303379891292E-16 1 -0.377248445559 1.14184653845 -1.66034613480 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide ------------------------------------------------ 6 13.4991057155 -0.357473590767 0.713811663238 6 8.48076024177 0.503164540210 -0.416629781928 6 11.8631397624 -2.37874757162 0.473562136431 6 12.6300343135 2.09621222127 0.471550344568 6 10.1214739007 2.51780523488 -9.207153793854E-02 6 9.35258280198 -1.94453974915 -9.759660250163E-02 1 12.5459565012 -4.25659611519 0.784414249864 1 13.8986334476 3.64265027953 0.771481617840 1 9.38607236031 4.39164092392 -0.267910179188 1 8.09763925784 -3.52677510687 -0.221740185849 16 16.6935460046 -0.912646421298 1.35805736093 8 17.6544840841 1.28364835574 2.61076734769 8 16.8676643394 -3.38662077444 2.44146121239 7 18.0366372567 -1.03700758771 -1.36404066179 1 18.3163089429 -2.70480564337 -2.20359468998 1 18.8696549651 0.501492704799 -2.07432409737 6 5.78952802473 1.16981982693 -1.02631101775 8 5.04502030288 3.34753860849 -0.814795268017 7 4.26922563055 -0.704156458501 -1.84300557024 1 4.93783248921 -2.42933031646 -2.15895801923 6 1.59945609057 -0.196996634022 -2.41475962510 1 1.48860461593 1.55437999117 -3.45794673312 1 0.926691554047 -1.71487444573 -3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 -1.73213272312 1.08507996536 1 -1.96325947579 0.346439546764 -0.473696207925 1 0.684941159121 1.55321650721 1.13775889828 ------------------------------------------------ 6 12.0127056291 -0.467319191248 0.111806432972 6 6.97352093600 0.759917308701 4.748266917407E-02 6 10.2217532895 -2.37079219426 0.152809003460 6 11.3033419938 2.04980757052 9.307700569057E-02 6 8.76972951282 2.66113662451 5.092383423729E-02 6 7.68607351310 -1.75397861179 0.112223563757 1 10.8183018721 -4.29997421278 0.259688127616 1 12.7207799808 3.49060386186 0.155267676093 1 8.15790328645 4.58878364063 3.776105769249E-02 1 6.26630294078 -3.18887845369 0.146456888627 16 15.2263520177 -1.25494370756 8.406950718910E-02 8 16.5763713396 0.857729096636 1.09992283794 8 15.4471228542 -3.74394477194 1.12115495093 7 15.9595091226 -1.44681230628 -2.85648386684 1 15.9368640683 -3.12142107712 -3.72820018659 1 16.7225609771 3.868535428217E-02 -3.73740008869 6 4.28110783217 1.51706821998 4.380793909740E-03 8 3.53735775286 3.67127241182 -4.627237069106E-02 8 2.70645115658 -0.479140449071 2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 1.08656629775 1.64022531142 1 -0.866069129495 -1.83937203385 2.906081667564E-02 1 -0.516390062658 1.02531407580 -1.68530034526 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide ------------------------------------------------ 6 13.4991057155 -0.357473590767 0.713811663238 6 8.48076024177 0.503164540210 -0.416629781928 6 11.8631397624 -2.37874757162 0.473562136431 6 12.6300343135 2.09621222127 0.471550344568 6 10.1214739007 2.51780523488 -9.207153793854E-02 6 9.35258280198 -1.94453974915 -9.759660250163E-02 1 12.5459565012 -4.25659611519 0.784414249864 1 13.8986334476 3.64265027953 0.771481617840 1 9.38607236031 4.39164092392 -0.267910179188 1 8.09763925784 -3.52677510687 -0.221740185849 16 16.6935460046 -0.912646421298 1.35805736093 8 17.6544840841 1.28364835574 2.61076734769 8 16.8676643394 -3.38662077444 2.44146121239 7 18.0366372567 -1.03700758771 -1.36404066179 1 18.3163089429 -2.70480564337 -2.20359468998 1 18.8696549651 0.501492704799 -2.07432409737 6 5.78952802473 1.16981982693 -1.02631101775 8 5.04502030288 3.34753860849 -0.814795268017 7 4.26922563055 -0.704156458501 -1.84300557024 1 4.93783248921 -2.42933031646 -2.15895801923 6 1.59945609057 -0.196996634022 -2.41475962510 1 1.48860461593 1.55437999117 -3.45794673312 1 0.926691554047 -1.71487444573 -3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 -1.73213272312 1.08507996536 1 -1.96325947579 0.346439546764 -0.473696207925 1 0.684941159121 1.55321650721 1.13775889828 ------------------------------------------------ 6 9.25649635012 1.80846527957 9.292601243073E-02 6 4.49653007628 -0.252386364964 5.563329730033E-02 6 8.97661510100 -0.790299344150 0.119114341606 6 7.17209172246 3.38798511785 0.102169685012 6 4.78224687467 2.34735739516 7.329320901833E-02 6 6.58177520099 -1.82758693433 9.237860791359E-02 1 10.6170947155 -1.96958871556 0.204027651419 1 7.43391914542 5.39176377246 0.175377186833 1 3.13114524169 3.51529832560 8.157662744579E-02 1 6.31465409765 -3.82860234946 0.115984151186 16 12.2941652834 3.11903583590 4.829871274683E-02 8 12.1064542125 5.60990047425 1.08680327140 8 13.9812398042 1.25851015147 1.05437846650 7 12.9682120575 3.43319864541 -2.89600901229 1 13.9516579638 2.09107340260 -3.78830088073 1 12.6725674087 5.08557002470 -3.76041888038 6 1.89086902464 -1.27466774715 2.847109335790E-02 8 1.83775228380 -3.81438709360 3.668617006514E-02 6 -0.611334772331 -5.09553939230 2.759474634627E-02 1 -1.67193584771 -4.49484752416 1.66284241111 1 -1.63290597596 -4.54650767572 -1.65033477868 6 -2.628882640013E-02 -7.90958602311 7.826139859268E-02 1 1.04055063371 -8.37091267308 1.76016592182 1 1.08118978950 -8.42305482102 -1.56183569609 1 -1.76381943467 -8.99262746496 7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide ------------------------------------------------ 6 13.4991057155 -0.357473590767 0.713811663238 6 8.48076024177 0.503164540210 -0.416629781928 6 11.8631397624 -2.37874757162 0.473562136431 6 12.6300343135 2.09621222127 0.471550344568 6 10.1214739007 2.51780523488 -9.207153793854E-02 6 9.35258280198 -1.94453974915 -9.759660250163E-02 1 12.5459565012 -4.25659611519 0.784414249864 1 13.8986334476 3.64265027953 0.771481617840 1 9.38607236031 4.39164092392 -0.267910179188 1 8.09763925784 -3.52677510687 -0.221740185849 16 16.6935460046 -0.912646421298 1.35805736093 8 17.6544840841 1.28364835574 2.61076734769 8 16.8676643394 -3.38662077444 2.44146121239 7 18.0366372567 -1.03700758771 -1.36404066179 1 18.3163089429 -2.70480564337 -2.20359468998 1 18.8696549651 0.501492704799 -2.07432409737 6 5.78952802473 1.16981982693 -1.02631101775 8 5.04502030288 3.34753860849 -0.814795268017 7 4.26922563055 -0.704156458501 -1.84300557024 1 4.93783248921 -2.42933031646 -2.15895801923 6 1.59945609057 -0.196996634022 -2.41475962510 1 1.48860461593 1.55437999117 -3.45794673312 1 0.926691554047 -1.71487444573 -3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 -1.73213272312 1.08507996536 1 -1.96325947579 0.346439546764 -0.473696207925 1 0.684941159121 1.55321650721 1.13775889828 ------------------------------------------------ 6 16.2691799750 -0.861123974289 0.131186883282 6 11.5121945621 1.20427204035 2.028457912686E-02 6 14.1804039648 -2.43212467262 0.170027955664 6 15.9979271981 1.73975638478 9.085209513991E-02 6 13.6053532164 2.77244247494 2.499575182470E-02 6 11.7868447762 -1.39343219905 0.106330752902 1 14.4397111888 -4.43379554927 0.293347888880 1 17.6391790059 2.91927288464 0.155077522013 1 13.3297352136 4.77580185192 -5.280276989638E-03 1 10.1431555114 -2.56525744119 0.138937307621 16 19.3020004227 -2.18348775204 0.134299477251 8 20.9842079738 -0.325733494236 1.15270139607 8 19.0886880558 -4.66812122535 1.18366001761 7 20.0154046741 -2.51391842666 -2.79896253743 1 19.7140075146 -4.16469009410 -3.66423830225 1 21.0264342221 -1.18451012097 -3.67951649332 6 8.98524438142 2.40710164988 -4.683800638368E-02 8 8.62404088094 4.65762117820 -0.119145313158 8 7.09521260910 0.710056286046 -2.027193485411E-02 6 4.48588899364 1.61442012240 -6.043557639931E-02 1 4.18402977757 2.83160191470 1.54997335048 1 4.18851510037 2.69852442655 -1.76429702456 6 2.81774658260 -0.727728392362 3.131445935321E-02 1 3.26511634385 -1.91346199534 -1.57535965464 1 3.26258594609 -1.78075553052 1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 -1.67378352623 6.601676572586E-02 1 -0.468128283684 1.03824231167 -1.70442814436 1 -0.470300494955 1.17038221894 1.61582801791 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide ------------------------------------------------ 6 13.4991057155 -0.357473590767 0.713811663238 6 8.48076024177 0.503164540210 -0.416629781928 6 11.8631397624 -2.37874757162 0.473562136431 6 12.6300343135 2.09621222127 0.471550344568 6 10.1214739007 2.51780523488 -9.207153793854E-02 6 9.35258280198 -1.94453974915 -9.759660250163E-02 1 12.5459565012 -4.25659611519 0.784414249864 1 13.8986334476 3.64265027953 0.771481617840 1 9.38607236031 4.39164092392 -0.267910179188 1 8.09763925784 -3.52677510687 -0.221740185849 16 16.6935460046 -0.912646421298 1.35805736093 8 17.6544840841 1.28364835574 2.61076734769 8 16.8676643394 -3.38662077444 2.44146121239 7 18.0366372567 -1.03700758771 -1.36404066179 1 18.3163089429 -2.70480564337 -2.20359468998 1 18.8696549651 0.501492704799 -2.07432409737 6 5.78952802473 1.16981982693 -1.02631101775 8 5.04502030288 3.34753860849 -0.814795268017 7 4.26922563055 -0.704156458501 -1.84300557024 1 4.93783248921 -2.42933031646 -2.15895801923 6 1.59945609057 -0.196996634022 -2.41475962510 1 1.48860461593 1.55437999117 -3.45794673312 1 0.926691554047 -1.71487444573 -3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 -1.73213272312 1.08507996536 1 -1.96325947579 0.346439546764 -0.473696207925 1 0.684941159121 1.55321650721 1.13775889828 ------------------------------------------------ 6 17.9684279399 -1.54301176377 0.149693423226 6 13.6326730870 1.30132688262 2.138183749743E-02 6 15.6426740929 -2.73563073422 0.189786012449 6 18.1438750705 1.06604052147 9.962044033802E-02 6 15.9621451629 2.49057033907 2.523220981312E-02 6 13.4610204855 -1.30509459913 0.117287370756 1 15.5573431966 -4.75166639252 0.321088296824 1 19.9617870444 1.94922244854 0.163264253275 1 16.0314585342 4.51140907128 -1.239461845501E-02 1 11.6418341179 -2.17978662007 0.150641401029 16 20.7317846783 -3.36204210634 0.163987391502 8 22.7051478607 -1.81249173186 1.17548489088 8 20.0987699462 -5.76903704384 1.22508771415 7 21.3801516200 -3.82469400623 -2.76690153273 1 20.8048852121 -5.40607792939 -3.62309870587 1 22.6005200302 -2.68935847433 -3.65393602741 6 11.3472294671 2.91626214998 -5.651370344789E-02 8 9.19665552725 1.56522590120 -3.245613991045E-02 6 6.77856962350 2.90016097853 -8.749655544515E-02 1 6.67652246165 4.14495637472 1.52674105702 1 6.68550306343 4.02593032336 -1.78755983989 6 4.73704841955 0.874096953142 -1.969560988444E-02 1 4.98065500262 -0.246176556333 1.67702200013 1 4.98893864106 -0.366141886882 -1.62964287548 8 11.3745245833 5.19521098803 -0.135688264964 6 2.07271853085 2.04310727132 -6.880948422220E-02 1 1.85408721205 3.17805095775 -1.76397604453 1 1.84594669663 3.29720682002 1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 -1.24962477650 -1.61609500694 1 -1.86381093455 0.848750824383 -3.507941596838E-02 1 0.158113135931 -1.12952769314 1.70286806009 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide --> 11-*- 11 (11)4-COOAm-benzenesulfonamide ------------------------------------------------ 6 13.4991057155 -0.357473590767 0.713811663238 6 8.48076024177 0.503164540210 -0.416629781928 6 11.8631397624 -2.37874757162 0.473562136431 6 12.6300343135 2.09621222127 0.471550344568 6 10.1214739007 2.51780523488 -9.207153793854E-02 6 9.35258280198 -1.94453974915 -9.759660250163E-02 1 12.5459565012 -4.25659611519 0.784414249864 1 13.8986334476 3.64265027953 0.771481617840 1 9.38607236031 4.39164092392 -0.267910179188 1 8.09763925784 -3.52677510687 -0.221740185849 16 16.6935460046 -0.912646421298 1.35805736093 8 17.6544840841 1.28364835574 2.61076734769 8 16.8676643394 -3.38662077444 2.44146121239 7 18.0366372567 -1.03700758771 -1.36404066179 1 18.3163089429 -2.70480564337 -2.20359468998 1 18.8696549651 0.501492704799 -2.07432409737 6 5.78952802473 1.16981982693 -1.02631101775 8 5.04502030288 3.34753860849 -0.814795268017 7 4.26922563055 -0.704156458501 -1.84300557024 1 4.93783248921 -2.42933031646 -2.15895801923 6 1.59945609057 -0.196996634022 -2.41475962510 1 1.48860461593 1.55437999117 -3.45794673312 1 0.926691554047 -1.71487444573 -3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 -1.73213272312 1.08507996536 1 -1.96325947579 0.346439546764 -0.473696207925 1 0.684941159121 1.55321650721 1.13775889828 ------------------------------------------------ 6 20.7940103927 1.18292577645 -0.135748344237 6 16.2553748543 -1.32561650568 -1.898358840442E-02 6 18.5653398548 2.54782901355 -0.185991958815 6 20.7714899222 -1.43194635192 -8.119491494154E-02 6 18.4881809521 -2.68752983337 -1.268047644927E-02 6 16.2816292072 1.28621992460 -0.119293218161 1 18.6330826801 4.56430368467 -0.320494210942 1 22.5176825572 -2.45010794741 -0.136961916771 1 18.4044365481 -4.70774521966 2.810073710092E-02 1 14.5338256999 2.29576106594 -0.160475355254 16 23.6871881374 2.78742501086 -0.142668366748 8 25.5411157417 1.09148804236 -1.14525598407 8 23.2417958312 5.23383132605 -1.20898679380 7 24.3589360690 3.20370291968 2.78991772878 1 23.9091509095 4.82809819444 3.64057141352 1 25.4806790933 1.97605258766 3.68426382740 6 13.8540126043 -2.76296861394 5.303453877654E-02 8 11.8120703378 -1.25321399795 2.008307004224E-02 6 9.29901118039 -2.40045989565 6.905102121977E-02 1 9.10783205313 -3.63690786172 -1.54345602431 1 9.11551718001 -3.51245649883 1.77073227684 6 7.41759711942 -0.225163913710 -8.381954772778E-03 1 7.75164296187 0.869303738938 -1.70652575015 1 7.75918159098 0.994644284689 1.60061304784 8 13.7086109469 -5.03734953143 0.135183415616 6 4.67345055952 -1.19177646373 3.443655708758E-02 1 4.36347393069 -2.30467041402 1.73186035831 1 4.35593551642 -2.42824308851 -1.57363269202 6 2.73979046465 0.982603093803 -4.252073111888E-02 1 3.05064854136 2.21942573316 1.56427419659 1 3.04356406783 2.09606747732 -1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 -1.08637600396 1.70287631133 1 -0.357289139629 -1.20966193729 -1.61602453331 1 -1.33734281519 1.55130517970 -5.488380719168E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide ------------------------------------------------ 6 13.4991057155 -0.357473590767 0.713811663238 6 8.48076024177 0.503164540210 -0.416629781928 6 11.8631397624 -2.37874757162 0.473562136431 6 12.6300343135 2.09621222127 0.471550344568 6 10.1214739007 2.51780523488 -9.207153793854E-02 6 9.35258280198 -1.94453974915 -9.759660250163E-02 1 12.5459565012 -4.25659611519 0.784414249864 1 13.8986334476 3.64265027953 0.771481617840 1 9.38607236031 4.39164092392 -0.267910179188 1 8.09763925784 -3.52677510687 -0.221740185849 16 16.6935460046 -0.912646421298 1.35805736093 8 17.6544840841 1.28364835574 2.61076734769 8 16.8676643394 -3.38662077444 2.44146121239 7 18.0366372567 -1.03700758771 -1.36404066179 1 18.3163089429 -2.70480564337 -2.20359468998 1 18.8696549651 0.501492704799 -2.07432409737 6 5.78952802473 1.16981982693 -1.02631101775 8 5.04502030288 3.34753860849 -0.814795268017 7 4.26922563055 -0.704156458501 -1.84300557024 1 4.93783248921 -2.42933031646 -2.15895801923 6 1.59945609057 -0.196996634022 -2.41475962510 1 1.48860461593 1.55437999117 -3.45794673312 1 0.926691554047 -1.71487444573 -3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 -1.73213272312 1.08507996536 1 -1.96325947579 0.346439546764 -0.473696207925 1 0.684941159121 1.55321650721 1.13775889828 ------------------------------------------------ 6 22.6680723895 -1.90654821224 0.175233423843 6 18.4884955220 1.16205594440 2.429127256041E-02 6 20.2830274345 -2.97597725977 0.173664688758 6 22.9799650421 0.690079737778 0.155208703405 6 20.8766221032 2.22748679265 6.903817015508E-02 6 18.1799381157 -1.43239889865 8.995095951044E-02 1 20.0909835172 -4.98607533718 0.281845826277 1 24.8405388049 1.47638787062 0.250726882769 1 21.0517072441 4.24227251958 5.371272626672E-02 1 16.3172055949 -2.21104024810 9.170563306660E-02 16 25.3324936821 -3.86769909134 0.204282249485 8 27.3689282330 -2.43608131514 1.26337330774 8 24.5588648910 -6.25073611663 1.22544756910 7 25.9991456410 -4.32704671165 -2.72259774632 1 25.3514763748 -5.86285263510 -3.60932921947 1 27.2925393220 -3.24838521296 -3.57606690334 6 16.2916230451 2.89540499983 -6.179565244721E-02 8 14.0727663740 1.65964926922 -7.242285012777E-02 6 11.7286122162 3.12131087053 -0.129207796905 1 11.6916371367 4.36862899705 1.48585984781 1 11.6980732731 4.25127283221 -1.82879684924 6 9.58109439663 1.20776499556 -6.511610601119E-02 1 9.76756866224 7.139861485579E-02 1.62808855633 1 9.76377736159 -3.875539761361E-02 -1.67952200771 8 16.4397777482 5.17051756224 -0.117582340473 6 6.98540215161 2.52323506137 -0.105275847922 1 6.82580399210 3.67429399210 -1.79800400123 1 6.83170567671 3.78372128405 1.50810456154 6 4.78702881724 0.616612023999 -3.768403587990E-02 1 4.93145580826 -0.642205670084 -1.65293843334 1 4.94358499840 -0.538158692436 1.65236070615 6 2.18592326697 1.92237034783 -6.880796847135E-02 1 2.02940000857 3.07742276656 -1.75724206468 1 2.04230086267 3.18049871305 1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 -1.24972460005 -1.62283624211 1 -1.81555813970 0.949604486281 -2.171294654113E-02 1 0.101559387270 -1.14661307089 1.69643499199 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide ------------------------------------------------ 6 13.4991057155 -0.357473590767 0.713811663238 6 8.48076024177 0.503164540210 -0.416629781928 6 11.8631397624 -2.37874757162 0.473562136431 6 12.6300343135 2.09621222127 0.471550344568 6 10.1214739007 2.51780523488 -9.207153793854E-02 6 9.35258280198 -1.94453974915 -9.759660250163E-02 1 12.5459565012 -4.25659611519 0.784414249864 1 13.8986334476 3.64265027953 0.771481617840 1 9.38607236031 4.39164092392 -0.267910179188 1 8.09763925784 -3.52677510687 -0.221740185849 16 16.6935460046 -0.912646421298 1.35805736093 8 17.6544840841 1.28364835574 2.61076734769 8 16.8676643394 -3.38662077444 2.44146121239 7 18.0366372567 -1.03700758771 -1.36404066179 1 18.3163089429 -2.70480564337 -2.20359468998 1 18.8696549651 0.501492704799 -2.07432409737 6 5.78952802473 1.16981982693 -1.02631101775 8 5.04502030288 3.34753860849 -0.814795268017 7 4.26922563055 -0.704156458501 -1.84300557024 1 4.93783248921 -2.42933031646 -2.15895801923 6 1.59945609057 -0.196996634022 -2.41475962510 1 1.48860461593 1.55437999117 -3.45794673312 1 0.926691554047 -1.71487444573 -3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 -1.73213272312 1.08507996536 1 -1.96325947579 0.346439546764 -0.473696207925 1 0.684941159121 1.55321650721 1.13775889828 ------------------------------------------------ 6 12.2734251286 -0.428907088210 3.130417300445E-02 6 7.16512558575 0.605433656762 0.183825719733 6 10.5713708299 -2.37495748345 0.399070980710 6 11.4474717344 2.04279012262 -0.176766780326 6 8.89344536670 2.55194533980 -9.586430260886E-02 6 8.01368059796 -1.85426065145 0.469957115655 1 11.2546633574 -4.25736622768 0.680203900338 1 12.7976479862 3.53900012680 -0.347716707934 1 8.19737481149 4.44495294702 -0.221953717805 1 6.71862383287 -3.36899815646 0.820375895056 16 15.5058925312 -1.09988548484 -0.139878058083 8 16.8322621021 1.12838754297 0.629587328980 8 15.8847585470 -3.49504260894 1.06180455980 7 16.0744500874 -1.48770706952 -3.09912365385 1 16.0632182407 -3.22273094432 -3.84357473139 1 16.7466970697 -5.130502478586E-02 -4.12393032748 6 4.42868586731 1.35626047301 0.252477484269 8 3.82938195486 3.56208325758 0.576406362775 7 2.71818896568 -0.506140006335 -9.280093005674E-02 1 3.27509805498 -2.22468116302 -0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 1.90115557994 0.684101664629 1 -0.922458262213 -1.31460329988 1.26745769935 1 -0.840700153890 -0.156106480461 -1.86072422508 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 16.3895792015 -0.240489114104 0.536193806704 6 11.2920888992 0.451096170868 -0.326090712247 6 14.8194157858 -2.31710236513 0.332180772567 6 15.4194231089 2.18266311147 0.390199489610 6 12.8721086867 2.51961306172 -4.014493484245E-02 6 12.2689440408 -1.96736827272 -0.104588496551 1 15.5860110543 -4.17358955286 0.566758904214 1 16.6431929451 3.77015985899 0.660657202547 1 12.0602052934 4.36724803133 -0.139997105688 1 11.0701659350 -3.59425419512 -0.203144347206 16 19.6304263353 -0.686794962887 1.01096050120 8 20.5702877543 1.51578267698 2.26860480338 8 19.9498684877 -3.17604514588 2.02400342944 7 20.8410111234 -0.697292062619 -1.77517976903 1 21.1380020961 -2.33317949807 -2.66979007743 1 21.5834993494 0.887153761337 -2.48491793384 6 8.55072081282 1.02933075625 -0.787372576289 8 7.74481307558 3.17762575485 -0.511396947249 7 7.05397038251 -0.888627903207 -1.54546896295 1 7.76234008752 -2.58922394741 -1.90477240945 6 4.34412151772 -0.471267660613 -1.97617977221 1 4.11567022133 1.31564616149 -2.93907082096 1 3.66918162500 -1.96785234101 -3.19655760703 6 2.83322401463 -0.431124044979 0.504279368481 1 3.11335731365 -2.20436047481 1.49304292078 1 3.57440415444 1.07510116992 1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 -1.49697720468 -1.17000519138 1 -0.298267921192 1.78626047228 -0.960482973300 1 -1.05317079190 4.110766263255E-02 1.75580559418 ------------------------------------------------ 6 5.04401540573 -5.065785560124E-17 8.565768416162E-02 6 9.27990108396 -9.396277336371E-17 -2.94283641892 6 6.11045552513 -2.27247789332 -0.644730598780 6 6.11045552513 2.27247789332 -0.644730598780 6 8.22908048709 2.26870089799 -2.17155776959 6 8.22908048709 -2.26870089799 -2.17155776959 1 5.30807717985 -4.00751998316 1.696942951703E-02 1 5.30807717985 4.00751998316 1.696942951703E-02 1 9.06580730279 4.02284755065 -2.73828333892 1 9.06580730279 -4.02284755065 -2.73828333892 1 10.9268739609 -1.108006638944E-16 -4.12165702328 16 2.32566022845 -2.288454205577E-17 1.95862643609 8 2.24799399215 2.36940193927 3.26556451771 8 2.24799399215 -2.36940193927 3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 -1.62837329388 -0.493096431600 1 -0.817594738155 1.62837329388 -0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 16.3895792015 -0.240489114104 0.536193806704 6 11.2920888992 0.451096170868 -0.326090712247 6 14.8194157858 -2.31710236513 0.332180772567 6 15.4194231089 2.18266311147 0.390199489610 6 12.8721086867 2.51961306172 -4.014493484245E-02 6 12.2689440408 -1.96736827272 -0.104588496551 1 15.5860110543 -4.17358955286 0.566758904214 1 16.6431929451 3.77015985899 0.660657202547 1 12.0602052934 4.36724803133 -0.139997105688 1 11.0701659350 -3.59425419512 -0.203144347206 16 19.6304263353 -0.686794962887 1.01096050120 8 20.5702877543 1.51578267698 2.26860480338 8 19.9498684877 -3.17604514588 2.02400342944 7 20.8410111234 -0.697292062619 -1.77517976903 1 21.1380020961 -2.33317949807 -2.66979007743 1 21.5834993494 0.887153761337 -2.48491793384 6 8.55072081282 1.02933075625 -0.787372576289 8 7.74481307558 3.17762575485 -0.511396947249 7 7.05397038251 -0.888627903207 -1.54546896295 1 7.76234008752 -2.58922394741 -1.90477240945 6 4.34412151772 -0.471267660613 -1.97617977221 1 4.11567022133 1.31564616149 -2.93907082096 1 3.66918162500 -1.96785234101 -3.19655760703 6 2.83322401463 -0.431124044979 0.504279368481 1 3.11335731365 -2.20436047481 1.49304292078 1 3.57440415444 1.07510116992 1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 -1.49697720468 -1.17000519138 1 -0.298267921192 1.78626047228 -0.960482973300 1 -1.05317079190 4.110766263255E-02 1.75580559418 ------------------------------------------------ 6 8.11007909745 8.556435899195E-18 0.100897097935 6 2.86329951331 2.922536611154E-18 7.349736953064E-02 6 6.80777063774 2.26567639154 0.121232299609 6 6.80777063774 -2.26567639154 0.121232299609 6 4.19897121896 -2.25839811190 9.895828809266E-02 6 4.19897121896 2.25839811190 9.895828809266E-02 1 7.83682406515 4.00573551491 0.201208431763 1 7.83682406515 -4.00573551491 0.201208431763 1 3.19435364603 -4.01778780932 0.125815986880 1 3.19435364603 4.01778780932 0.125815986880 16 11.4059109298 1.222287901647E-17 6.903234852523E-02 8 12.2226557176 -2.36966347735 1.09351831769 8 12.2226557176 2.36966347735 1.09351831769 7 12.1903871090 2.070990068685E-17 -2.87084462677 1 12.5792272181 1.62848573258 -3.74230825804 1 12.5792272181 -1.62848573258 -3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 4.336273740756E-18 -1.94437378897 1 -0.758564487207 -1.65923610975 0.927043031519 1 -0.758564487207 1.65923610975 0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 16.3895792015 -0.240489114104 0.536193806704 6 11.2920888992 0.451096170868 -0.326090712247 6 14.8194157858 -2.31710236513 0.332180772567 6 15.4194231089 2.18266311147 0.390199489610 6 12.8721086867 2.51961306172 -4.014493484245E-02 6 12.2689440408 -1.96736827272 -0.104588496551 1 15.5860110543 -4.17358955286 0.566758904214 1 16.6431929451 3.77015985899 0.660657202547 1 12.0602052934 4.36724803133 -0.139997105688 1 11.0701659350 -3.59425419512 -0.203144347206 16 19.6304263353 -0.686794962887 1.01096050120 8 20.5702877543 1.51578267698 2.26860480338 8 19.9498684877 -3.17604514588 2.02400342944 7 20.8410111234 -0.697292062619 -1.77517976903 1 21.1380020961 -2.33317949807 -2.66979007743 1 21.5834993494 0.887153761337 -2.48491793384 6 8.55072081282 1.02933075625 -0.787372576289 8 7.74481307558 3.17762575485 -0.511396947249 7 7.05397038251 -0.888627903207 -1.54546896295 1 7.76234008752 -2.58922394741 -1.90477240945 6 4.34412151772 -0.471267660613 -1.97617977221 1 4.11567022133 1.31564616149 -2.93907082096 1 3.66918162500 -1.96785234101 -3.19655760703 6 2.83322401463 -0.431124044979 0.504279368481 1 3.11335731365 -2.20436047481 1.49304292078 1 3.57440415444 1.07510116992 1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 -1.49697720468 -1.17000519138 1 -0.298267921192 1.78626047228 -0.960482973300 1 -1.05317079190 4.110766263255E-02 1.75580559418 ------------------------------------------------ 6 9.49515614095 -1.986230634504E-17 -0.330909318726 6 4.54766506655 1.418482302241E-17 1.41449070261 6 8.25938767444 -2.26624765571 7.914581718090E-02 6 8.25938767444 2.26624765571 7.914581718090E-02 6 5.80247435955 2.25843288285 0.956589914867 6 5.80247435955 -2.25843288285 0.956589914867 1 9.20891937494 -4.00630432243 -0.325801090800 1 9.20891937494 4.00630432243 -0.325801090800 1 4.84800788582 4.01788928760 1.27432519389 1 4.84800788582 -4.01788928760 1.27432519389 16 12.6215076530 -4.047871219384E-17 -1.37421975164 8 13.0597966465 2.36964987132 -2.60912294465 8 13.0597966465 -2.36964987132 -2.60912294465 7 14.3219760733 -5.129921083899E-18 1.14895839935 1 14.9723537348 -1.62851785792 1.84712919698 1 14.9723537348 1.62851785792 1.84712919698 6 1.82011448549 3.162508651201E-17 2.28845439361 1 1.46450096442 1.65231782291 3.44535547264 1 1.46450096442 -1.65231782291 3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 1.65855864299 -1.15861699465 1 0.312880607522 -1.65855864299 -1.15861699465 1 -1.95068478995 1.250653597013E-17 0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 16.3895792015 -0.240489114104 0.536193806704 6 11.2920888992 0.451096170868 -0.326090712247 6 14.8194157858 -2.31710236513 0.332180772567 6 15.4194231089 2.18266311147 0.390199489610 6 12.8721086867 2.51961306172 -4.014493484245E-02 6 12.2689440408 -1.96736827272 -0.104588496551 1 15.5860110543 -4.17358955286 0.566758904214 1 16.6431929451 3.77015985899 0.660657202547 1 12.0602052934 4.36724803133 -0.139997105688 1 11.0701659350 -3.59425419512 -0.203144347206 16 19.6304263353 -0.686794962887 1.01096050120 8 20.5702877543 1.51578267698 2.26860480338 8 19.9498684877 -3.17604514588 2.02400342944 7 20.8410111234 -0.697292062619 -1.77517976903 1 21.1380020961 -2.33317949807 -2.66979007743 1 21.5834993494 0.887153761337 -2.48491793384 6 8.55072081282 1.02933075625 -0.787372576289 8 7.74481307558 3.17762575485 -0.511396947249 7 7.05397038251 -0.888627903207 -1.54546896295 1 7.76234008752 -2.58922394741 -1.90477240945 6 4.34412151772 -0.471267660613 -1.97617977221 1 4.11567022133 1.31564616149 -2.93907082096 1 3.66918162500 -1.96785234101 -3.19655760703 6 2.83322401463 -0.431124044979 0.504279368481 1 3.11335731365 -2.20436047481 1.49304292078 1 3.57440415444 1.07510116992 1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 -1.49697720468 -1.17000519138 1 -0.298267921192 1.78626047228 -0.960482973300 1 -1.05317079190 4.110766263255E-02 1.75580559418 ------------------------------------------------ 6 12.3462848294 -8.276065163872E-20 -0.219629035968 6 7.27697590475 1.666425406161E-18 1.13352461031 6 11.0821729337 -2.26629036351 9.228879249722E-02 6 11.0821729337 2.26629036351 9.228879249722E-02 6 8.56408820998 2.25853587292 0.774654122839 6 8.56408820998 -2.25853587292 0.774654122839 1 12.0604999845 -4.00629846428 -0.237334526856 1 12.0604999845 4.00629846428 -0.237334526856 1 7.58747623906 4.01782409206 1.01660875510 1 7.58747623906 -4.01782409206 1.01660875510 16 15.5446672699 -1.106855929460E-18 -1.01482146618 8 16.0785895276 2.36961755701 -2.21160547802 8 16.0785895276 -2.36961755701 -2.21160547802 7 17.0423265084 2.516184840979E-18 1.63372129060 1 17.6356158799 -1.62852220429 2.38095755132 1 17.6356158799 1.62852220429 2.38095755132 6 4.48973225005 2.504801715792E-18 1.78668016231 1 4.03784923022 1.65364233185 2.91036104922 1 4.03784923022 -1.65364233185 2.91036104922 6 2.84178543494 -8.061817684800E-19 -0.630150435706 1 3.30689183592 1.64977444070 -1.75284818480 1 3.30689183592 -1.64977444070 -1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 1.66081705451 1.09295879416 1 -1.12447528227 -2.345093436379E-18 -1.71233470070 1 -0.500643208584 -1.66081705451 1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide ------------------------------------------------ 6 16.3895792015 -0.240489114104 0.536193806704 6 11.2920888992 0.451096170868 -0.326090712247 6 14.8194157858 -2.31710236513 0.332180772567 6 15.4194231089 2.18266311147 0.390199489610 6 12.8721086867 2.51961306172 -4.014493484245E-02 6 12.2689440408 -1.96736827272 -0.104588496551 1 15.5860110543 -4.17358955286 0.566758904214 1 16.6431929451 3.77015985899 0.660657202547 1 12.0602052934 4.36724803133 -0.139997105688 1 11.0701659350 -3.59425419512 -0.203144347206 16 19.6304263353 -0.686794962887 1.01096050120 8 20.5702877543 1.51578267698 2.26860480338 8 19.9498684877 -3.17604514588 2.02400342944 7 20.8410111234 -0.697292062619 -1.77517976903 1 21.1380020961 -2.33317949807 -2.66979007743 1 21.5834993494 0.887153761337 -2.48491793384 6 8.55072081282 1.02933075625 -0.787372576289 8 7.74481307558 3.17762575485 -0.511396947249 7 7.05397038251 -0.888627903207 -1.54546896295 1 7.76234008752 -2.58922394741 -1.90477240945 6 4.34412151772 -0.471267660613 -1.97617977221 1 4.11567022133 1.31564616149 -2.93907082096 1 3.66918162500 -1.96785234101 -3.19655760703 6 2.83322401463 -0.431124044979 0.504279368481 1 3.11335731365 -2.20436047481 1.49304292078 1 3.57440415444 1.07510116992 1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 -1.49697720468 -1.17000519138 1 -0.298267921192 1.78626047228 -0.960482973300 1 -1.05317079190 4.110766263255E-02 1.75580559418 ------------------------------------------------ 6 14.1238159113 -1.214503673567E-17 0.678437661017 6 9.44100667607 -7.329180195868E-17 -1.68836769331 6 12.9508759688 2.26624992338 0.112955994743 6 12.9508759688 -2.26624992338 0.112955994743 6 10.6269754875 -2.25848844080 -1.07270695836 6 10.6269754875 2.25848844080 -1.07270695836 1 13.8404298349 4.00630337757 0.636723693997 1 13.8404298349 -4.00630337757 0.636723693997 1 9.72086351835 -4.01774604637 -1.51016368205 1 9.72086351835 4.01774604637 -1.51016368205 16 17.0896510524 2.469474469544E-17 2.11542048055 8 17.3657436482 -2.36962001365 3.39654871916 8 17.3657436482 2.36962001365 3.39654871916 7 19.1011870389 -4.944166890890E-17 -0.167534197609 1 19.8356986120 1.62853921182 -0.776447021723 1 19.8356986120 -1.62853921182 -0.776447021723 6 6.84711615725 -1.041405701228E-16 -2.90008400935 1 6.63682781461 1.65387609096 -4.09248466188 1 6.63682781461 -1.65387609096 -4.09248466188 6 4.74105840551 -3.748430357849E-17 -0.870168924938 1 4.96583213621 1.65095665328 0.325145161310 1 4.96583213621 -1.65095665328 0.325145161310 6 2.07671001580 -6.693452376398E-17 -2.04129882743 1 1.86017810411 1.65244972578 -3.23844110052 1 1.86017810411 -1.65244972578 -3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 1.66008648645 1.19157111842 1 -1.86482588637 -2.150045959666E-17 -0.848869041688 1 0.161115980412 -1.66008648645 1.19157111842 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide --> 6-*- 6 (6)4-Am-Benzenesulfonamide ------------------------------------------------ 6 16.3895792015 -0.240489114104 0.536193806704 6 11.2920888992 0.451096170868 -0.326090712247 6 14.8194157858 -2.31710236513 0.332180772567 6 15.4194231089 2.18266311147 0.390199489610 6 12.8721086867 2.51961306172 -4.014493484245E-02 6 12.2689440408 -1.96736827272 -0.104588496551 1 15.5860110543 -4.17358955286 0.566758904214 1 16.6431929451 3.77015985899 0.660657202547 1 12.0602052934 4.36724803133 -0.139997105688 1 11.0701659350 -3.59425419512 -0.203144347206 16 19.6304263353 -0.686794962887 1.01096050120 8 20.5702877543 1.51578267698 2.26860480338 8 19.9498684877 -3.17604514588 2.02400342944 7 20.8410111234 -0.697292062619 -1.77517976903 1 21.1380020961 -2.33317949807 -2.66979007743 1 21.5834993494 0.887153761337 -2.48491793384 6 8.55072081282 1.02933075625 -0.787372576289 8 7.74481307558 3.17762575485 -0.511396947249 7 7.05397038251 -0.888627903207 -1.54546896295 1 7.76234008752 -2.58922394741 -1.90477240945 6 4.34412151772 -0.471267660613 -1.97617977221 1 4.11567022133 1.31564616149 -2.93907082096 1 3.66918162500 -1.96785234101 -3.19655760703 6 2.83322401463 -0.431124044979 0.504279368481 1 3.11335731365 -2.20436047481 1.49304292078 1 3.57440415444 1.07510116992 1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 -1.49697720468 -1.17000519138 1 -0.298267921192 1.78626047228 -0.960482973300 1 -1.05317079190 4.110766263255E-02 1.75580559418 ------------------------------------------------ 6 16.9068057473 -0.243177970445 1.059325119563E-16 6 12.0155875324 1.65600530852 7.874007219591E-16 6 15.7028346951 0.252939874960 2.26622819153 6 15.7028346951 0.252939874960 -2.26622819153 6 13.2672687790 1.18799231963 -2.25851621977 6 13.2672687790 1.18799231963 2.25851621977 1 16.6905927723 -4.935959543974E-02 4.00587781127 1 16.6905927723 -4.935959543974E-02 -4.00587781127 1 12.3418929399 1.58361797677 -4.01758126227 1 12.3418929399 1.58361797677 4.01758126227 16 19.9613139677 -1.48061075670 -3.396565444380E-16 8 21.0975033451 -0.827628604396 -2.36965497358 8 21.0975033451 -0.827628604396 2.36965497358 7 19.6140817394 -4.50363661503 -1.520890767875E-15 1 19.6563448244 -5.45686048237 1.62850009449 1 19.6563448244 -5.45686048237 -1.62850009449 6 9.31463490683 2.60509907624 1.124910972962E-15 1 8.98767928251 3.77103356608 1.65353820795 1 8.98767928251 3.77103356608 -1.65353820795 6 7.41754404250 0.378508099205 2.354035425308E-16 1 7.75886683358 -0.788097380015 1.65185162751 1 7.75886683358 -0.788097380015 -1.65185162751 6 4.65268631611 1.28701345345 5.563510498846E-16 1 4.32004736793 2.45842354097 1.65339251008 1 4.32004736793 2.45842354097 -1.65339251008 6 2.76072678768 -0.925807775628 -3.277337893163E-16 1 3.09073708924 -2.09665994535 1.65204135600 1 3.09073708924 -2.09665994535 -1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 1.14184653845 1.66034613480 1 -1.30590878374 -1.57901648689 -6.303379891292E-16 1 -0.377248445559 1.14184653845 -1.66034613480 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide ------------------------------------------------ 6 16.3895792015 -0.240489114104 0.536193806704 6 11.2920888992 0.451096170868 -0.326090712247 6 14.8194157858 -2.31710236513 0.332180772567 6 15.4194231089 2.18266311147 0.390199489610 6 12.8721086867 2.51961306172 -4.014493484245E-02 6 12.2689440408 -1.96736827272 -0.104588496551 1 15.5860110543 -4.17358955286 0.566758904214 1 16.6431929451 3.77015985899 0.660657202547 1 12.0602052934 4.36724803133 -0.139997105688 1 11.0701659350 -3.59425419512 -0.203144347206 16 19.6304263353 -0.686794962887 1.01096050120 8 20.5702877543 1.51578267698 2.26860480338 8 19.9498684877 -3.17604514588 2.02400342944 7 20.8410111234 -0.697292062619 -1.77517976903 1 21.1380020961 -2.33317949807 -2.66979007743 1 21.5834993494 0.887153761337 -2.48491793384 6 8.55072081282 1.02933075625 -0.787372576289 8 7.74481307558 3.17762575485 -0.511396947249 7 7.05397038251 -0.888627903207 -1.54546896295 1 7.76234008752 -2.58922394741 -1.90477240945 6 4.34412151772 -0.471267660613 -1.97617977221 1 4.11567022133 1.31564616149 -2.93907082096 1 3.66918162500 -1.96785234101 -3.19655760703 6 2.83322401463 -0.431124044979 0.504279368481 1 3.11335731365 -2.20436047481 1.49304292078 1 3.57440415444 1.07510116992 1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 -1.49697720468 -1.17000519138 1 -0.298267921192 1.78626047228 -0.960482973300 1 -1.05317079190 4.110766263255E-02 1.75580559418 ------------------------------------------------ 6 12.0127056291 0.467319191248 -0.111806432972 6 6.97352093600 -0.759917308701 -4.748266917407E-02 6 10.2217532895 2.37079219426 -0.152809003460 6 11.3033419938 -2.04980757052 -9.307700569057E-02 6 8.76972951282 -2.66113662451 -5.092383423729E-02 6 7.68607351310 1.75397861179 -0.112223563757 1 10.8183018721 4.29997421278 -0.259688127616 1 12.7207799808 -3.49060386186 -0.155267676093 1 8.15790328645 -4.58878364063 -3.776105769249E-02 1 6.26630294078 3.18887845369 -0.146456888627 16 15.2263520177 1.25494370756 -8.406950718910E-02 8 16.5763713396 -0.857729096636 -1.09992283794 8 15.4471228542 3.74394477194 -1.12115495093 7 15.9595091226 1.44681230628 2.85648386684 1 15.9368640683 3.12142107712 3.72820018659 1 16.7225609771 -3.868535428217E-02 3.73740008869 6 4.28110783217 -1.51706821998 -4.380793909740E-03 8 3.53735775286 -3.67127241182 4.627237069106E-02 8 2.70645115658 0.479140449071 -2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 -1.08656629775 -1.64022531142 1 -0.866069129495 1.83937203385 -2.906081667564E-02 1 -0.516390062658 -1.02531407580 1.68530034526 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide ------------------------------------------------ 6 16.3895792015 -0.240489114104 0.536193806704 6 11.2920888992 0.451096170868 -0.326090712247 6 14.8194157858 -2.31710236513 0.332180772567 6 15.4194231089 2.18266311147 0.390199489610 6 12.8721086867 2.51961306172 -4.014493484245E-02 6 12.2689440408 -1.96736827272 -0.104588496551 1 15.5860110543 -4.17358955286 0.566758904214 1 16.6431929451 3.77015985899 0.660657202547 1 12.0602052934 4.36724803133 -0.139997105688 1 11.0701659350 -3.59425419512 -0.203144347206 16 19.6304263353 -0.686794962887 1.01096050120 8 20.5702877543 1.51578267698 2.26860480338 8 19.9498684877 -3.17604514588 2.02400342944 7 20.8410111234 -0.697292062619 -1.77517976903 1 21.1380020961 -2.33317949807 -2.66979007743 1 21.5834993494 0.887153761337 -2.48491793384 6 8.55072081282 1.02933075625 -0.787372576289 8 7.74481307558 3.17762575485 -0.511396947249 7 7.05397038251 -0.888627903207 -1.54546896295 1 7.76234008752 -2.58922394741 -1.90477240945 6 4.34412151772 -0.471267660613 -1.97617977221 1 4.11567022133 1.31564616149 -2.93907082096 1 3.66918162500 -1.96785234101 -3.19655760703 6 2.83322401463 -0.431124044979 0.504279368481 1 3.11335731365 -2.20436047481 1.49304292078 1 3.57440415444 1.07510116992 1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 -1.49697720468 -1.17000519138 1 -0.298267921192 1.78626047228 -0.960482973300 1 -1.05317079190 4.110766263255E-02 1.75580559418 ------------------------------------------------ 6 9.25649635012 1.80846527957 9.292601243073E-02 6 4.49653007628 -0.252386364964 5.563329730033E-02 6 8.97661510100 -0.790299344150 0.119114341606 6 7.17209172246 3.38798511785 0.102169685012 6 4.78224687467 2.34735739516 7.329320901833E-02 6 6.58177520099 -1.82758693433 9.237860791359E-02 1 10.6170947155 -1.96958871556 0.204027651419 1 7.43391914542 5.39176377246 0.175377186833 1 3.13114524169 3.51529832560 8.157662744579E-02 1 6.31465409765 -3.82860234946 0.115984151186 16 12.2941652834 3.11903583590 4.829871274683E-02 8 12.1064542125 5.60990047425 1.08680327140 8 13.9812398042 1.25851015147 1.05437846650 7 12.9682120575 3.43319864541 -2.89600901229 1 13.9516579638 2.09107340260 -3.78830088073 1 12.6725674087 5.08557002470 -3.76041888038 6 1.89086902464 -1.27466774715 2.847109335790E-02 8 1.83775228380 -3.81438709360 3.668617006514E-02 6 -0.611334772331 -5.09553939230 2.759474634627E-02 1 -1.67193584771 -4.49484752416 1.66284241111 1 -1.63290597596 -4.54650767572 -1.65033477868 6 -2.628882640013E-02 -7.90958602311 7.826139859268E-02 1 1.04055063371 -8.37091267308 1.76016592182 1 1.08118978950 -8.42305482102 -1.56183569609 1 -1.76381943467 -8.99262746496 7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide ------------------------------------------------ 6 16.3895792015 -0.240489114104 0.536193806704 6 11.2920888992 0.451096170868 -0.326090712247 6 14.8194157858 -2.31710236513 0.332180772567 6 15.4194231089 2.18266311147 0.390199489610 6 12.8721086867 2.51961306172 -4.014493484245E-02 6 12.2689440408 -1.96736827272 -0.104588496551 1 15.5860110543 -4.17358955286 0.566758904214 1 16.6431929451 3.77015985899 0.660657202547 1 12.0602052934 4.36724803133 -0.139997105688 1 11.0701659350 -3.59425419512 -0.203144347206 16 19.6304263353 -0.686794962887 1.01096050120 8 20.5702877543 1.51578267698 2.26860480338 8 19.9498684877 -3.17604514588 2.02400342944 7 20.8410111234 -0.697292062619 -1.77517976903 1 21.1380020961 -2.33317949807 -2.66979007743 1 21.5834993494 0.887153761337 -2.48491793384 6 8.55072081282 1.02933075625 -0.787372576289 8 7.74481307558 3.17762575485 -0.511396947249 7 7.05397038251 -0.888627903207 -1.54546896295 1 7.76234008752 -2.58922394741 -1.90477240945 6 4.34412151772 -0.471267660613 -1.97617977221 1 4.11567022133 1.31564616149 -2.93907082096 1 3.66918162500 -1.96785234101 -3.19655760703 6 2.83322401463 -0.431124044979 0.504279368481 1 3.11335731365 -2.20436047481 1.49304292078 1 3.57440415444 1.07510116992 1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 -1.49697720468 -1.17000519138 1 -0.298267921192 1.78626047228 -0.960482973300 1 -1.05317079190 4.110766263255E-02 1.75580559418 ------------------------------------------------ 6 16.2691799750 -0.861123974289 0.131186883282 6 11.5121945621 1.20427204035 2.028457912686E-02 6 14.1804039648 -2.43212467262 0.170027955664 6 15.9979271981 1.73975638478 9.085209513991E-02 6 13.6053532164 2.77244247494 2.499575182470E-02 6 11.7868447762 -1.39343219905 0.106330752902 1 14.4397111888 -4.43379554927 0.293347888880 1 17.6391790059 2.91927288464 0.155077522013 1 13.3297352136 4.77580185192 -5.280276989638E-03 1 10.1431555114 -2.56525744119 0.138937307621 16 19.3020004227 -2.18348775204 0.134299477251 8 20.9842079738 -0.325733494236 1.15270139607 8 19.0886880558 -4.66812122535 1.18366001761 7 20.0154046741 -2.51391842666 -2.79896253743 1 19.7140075146 -4.16469009410 -3.66423830225 1 21.0264342221 -1.18451012097 -3.67951649332 6 8.98524438142 2.40710164988 -4.683800638368E-02 8 8.62404088094 4.65762117820 -0.119145313158 8 7.09521260910 0.710056286046 -2.027193485411E-02 6 4.48588899364 1.61442012240 -6.043557639931E-02 1 4.18402977757 2.83160191470 1.54997335048 1 4.18851510037 2.69852442655 -1.76429702456 6 2.81774658260 -0.727728392362 3.131445935321E-02 1 3.26511634385 -1.91346199534 -1.57535965464 1 3.26258594609 -1.78075553052 1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 -1.67378352623 6.601676572586E-02 1 -0.468128283684 1.03824231167 -1.70442814436 1 -0.470300494955 1.17038221894 1.61582801791 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide ------------------------------------------------ 6 16.3895792015 -0.240489114104 0.536193806704 6 11.2920888992 0.451096170868 -0.326090712247 6 14.8194157858 -2.31710236513 0.332180772567 6 15.4194231089 2.18266311147 0.390199489610 6 12.8721086867 2.51961306172 -4.014493484245E-02 6 12.2689440408 -1.96736827272 -0.104588496551 1 15.5860110543 -4.17358955286 0.566758904214 1 16.6431929451 3.77015985899 0.660657202547 1 12.0602052934 4.36724803133 -0.139997105688 1 11.0701659350 -3.59425419512 -0.203144347206 16 19.6304263353 -0.686794962887 1.01096050120 8 20.5702877543 1.51578267698 2.26860480338 8 19.9498684877 -3.17604514588 2.02400342944 7 20.8410111234 -0.697292062619 -1.77517976903 1 21.1380020961 -2.33317949807 -2.66979007743 1 21.5834993494 0.887153761337 -2.48491793384 6 8.55072081282 1.02933075625 -0.787372576289 8 7.74481307558 3.17762575485 -0.511396947249 7 7.05397038251 -0.888627903207 -1.54546896295 1 7.76234008752 -2.58922394741 -1.90477240945 6 4.34412151772 -0.471267660613 -1.97617977221 1 4.11567022133 1.31564616149 -2.93907082096 1 3.66918162500 -1.96785234101 -3.19655760703 6 2.83322401463 -0.431124044979 0.504279368481 1 3.11335731365 -2.20436047481 1.49304292078 1 3.57440415444 1.07510116992 1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 -1.49697720468 -1.17000519138 1 -0.298267921192 1.78626047228 -0.960482973300 1 -1.05317079190 4.110766263255E-02 1.75580559418 ------------------------------------------------ 6 17.9684279399 1.54301176377 -0.149693423226 6 13.6326730870 -1.30132688262 -2.138183749743E-02 6 15.6426740929 2.73563073422 -0.189786012449 6 18.1438750705 -1.06604052147 -9.962044033802E-02 6 15.9621451629 -2.49057033907 -2.523220981312E-02 6 13.4610204855 1.30509459913 -0.117287370756 1 15.5573431966 4.75166639252 -0.321088296824 1 19.9617870444 -1.94922244854 -0.163264253275 1 16.0314585342 -4.51140907128 1.239461845501E-02 1 11.6418341179 2.17978662007 -0.150641401029 16 20.7317846783 3.36204210634 -0.163987391502 8 22.7051478607 1.81249173186 -1.17548489088 8 20.0987699462 5.76903704384 -1.22508771415 7 21.3801516200 3.82469400623 2.76690153273 1 20.8048852121 5.40607792939 3.62309870587 1 22.6005200302 2.68935847433 3.65393602741 6 11.3472294671 -2.91626214998 5.651370344789E-02 8 9.19665552725 -1.56522590120 3.245613991045E-02 6 6.77856962350 -2.90016097853 8.749655544515E-02 1 6.67652246165 -4.14495637472 -1.52674105702 1 6.68550306343 -4.02593032336 1.78755983989 6 4.73704841955 -0.874096953142 1.969560988444E-02 1 4.98065500262 0.246176556333 -1.67702200013 1 4.98893864106 0.366141886882 1.62964287548 8 11.3745245833 -5.19521098803 0.135688264964 6 2.07271853085 -2.04310727132 6.880948422220E-02 1 1.85408721205 -3.17805095775 1.76397604453 1 1.84594669663 -3.29720682002 -1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 1.24962477650 1.61609500694 1 -1.86381093455 -0.848750824383 3.507941596838E-02 1 0.158113135931 1.12952769314 -1.70286806009 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide --> 11-*- 11 (11)4-COOAm-benzenesulfonamide ------------------------------------------------ 6 16.3895792015 -0.240489114104 0.536193806704 6 11.2920888992 0.451096170868 -0.326090712247 6 14.8194157858 -2.31710236513 0.332180772567 6 15.4194231089 2.18266311147 0.390199489610 6 12.8721086867 2.51961306172 -4.014493484245E-02 6 12.2689440408 -1.96736827272 -0.104588496551 1 15.5860110543 -4.17358955286 0.566758904214 1 16.6431929451 3.77015985899 0.660657202547 1 12.0602052934 4.36724803133 -0.139997105688 1 11.0701659350 -3.59425419512 -0.203144347206 16 19.6304263353 -0.686794962887 1.01096050120 8 20.5702877543 1.51578267698 2.26860480338 8 19.9498684877 -3.17604514588 2.02400342944 7 20.8410111234 -0.697292062619 -1.77517976903 1 21.1380020961 -2.33317949807 -2.66979007743 1 21.5834993494 0.887153761337 -2.48491793384 6 8.55072081282 1.02933075625 -0.787372576289 8 7.74481307558 3.17762575485 -0.511396947249 7 7.05397038251 -0.888627903207 -1.54546896295 1 7.76234008752 -2.58922394741 -1.90477240945 6 4.34412151772 -0.471267660613 -1.97617977221 1 4.11567022133 1.31564616149 -2.93907082096 1 3.66918162500 -1.96785234101 -3.19655760703 6 2.83322401463 -0.431124044979 0.504279368481 1 3.11335731365 -2.20436047481 1.49304292078 1 3.57440415444 1.07510116992 1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 -1.49697720468 -1.17000519138 1 -0.298267921192 1.78626047228 -0.960482973300 1 -1.05317079190 4.110766263255E-02 1.75580559418 ------------------------------------------------ 6 20.7940103927 1.18292577645 -0.135748344237 6 16.2553748543 -1.32561650568 -1.898358840442E-02 6 18.5653398548 2.54782901355 -0.185991958815 6 20.7714899222 -1.43194635192 -8.119491494154E-02 6 18.4881809521 -2.68752983337 -1.268047644927E-02 6 16.2816292072 1.28621992460 -0.119293218161 1 18.6330826801 4.56430368467 -0.320494210942 1 22.5176825572 -2.45010794741 -0.136961916771 1 18.4044365481 -4.70774521966 2.810073710092E-02 1 14.5338256999 2.29576106594 -0.160475355254 16 23.6871881374 2.78742501086 -0.142668366748 8 25.5411157417 1.09148804236 -1.14525598407 8 23.2417958312 5.23383132605 -1.20898679380 7 24.3589360690 3.20370291968 2.78991772878 1 23.9091509095 4.82809819444 3.64057141352 1 25.4806790933 1.97605258766 3.68426382740 6 13.8540126043 -2.76296861394 5.303453877654E-02 8 11.8120703378 -1.25321399795 2.008307004224E-02 6 9.29901118039 -2.40045989565 6.905102121977E-02 1 9.10783205313 -3.63690786172 -1.54345602431 1 9.11551718001 -3.51245649883 1.77073227684 6 7.41759711942 -0.225163913710 -8.381954772778E-03 1 7.75164296187 0.869303738938 -1.70652575015 1 7.75918159098 0.994644284689 1.60061304784 8 13.7086109469 -5.03734953143 0.135183415616 6 4.67345055952 -1.19177646373 3.443655708758E-02 1 4.36347393069 -2.30467041402 1.73186035831 1 4.35593551642 -2.42824308851 -1.57363269202 6 2.73979046465 0.982603093803 -4.252073111888E-02 1 3.05064854136 2.21942573316 1.56427419659 1 3.04356406783 2.09606747732 -1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 -1.08637600396 1.70287631133 1 -0.357289139629 -1.20966193729 -1.61602453331 1 -1.33734281519 1.55130517970 -5.488380719168E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide ------------------------------------------------ 6 16.3895792015 -0.240489114104 0.536193806704 6 11.2920888992 0.451096170868 -0.326090712247 6 14.8194157858 -2.31710236513 0.332180772567 6 15.4194231089 2.18266311147 0.390199489610 6 12.8721086867 2.51961306172 -4.014493484245E-02 6 12.2689440408 -1.96736827272 -0.104588496551 1 15.5860110543 -4.17358955286 0.566758904214 1 16.6431929451 3.77015985899 0.660657202547 1 12.0602052934 4.36724803133 -0.139997105688 1 11.0701659350 -3.59425419512 -0.203144347206 16 19.6304263353 -0.686794962887 1.01096050120 8 20.5702877543 1.51578267698 2.26860480338 8 19.9498684877 -3.17604514588 2.02400342944 7 20.8410111234 -0.697292062619 -1.77517976903 1 21.1380020961 -2.33317949807 -2.66979007743 1 21.5834993494 0.887153761337 -2.48491793384 6 8.55072081282 1.02933075625 -0.787372576289 8 7.74481307558 3.17762575485 -0.511396947249 7 7.05397038251 -0.888627903207 -1.54546896295 1 7.76234008752 -2.58922394741 -1.90477240945 6 4.34412151772 -0.471267660613 -1.97617977221 1 4.11567022133 1.31564616149 -2.93907082096 1 3.66918162500 -1.96785234101 -3.19655760703 6 2.83322401463 -0.431124044979 0.504279368481 1 3.11335731365 -2.20436047481 1.49304292078 1 3.57440415444 1.07510116992 1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 -1.49697720468 -1.17000519138 1 -0.298267921192 1.78626047228 -0.960482973300 1 -1.05317079190 4.110766263255E-02 1.75580559418 ------------------------------------------------ 6 22.6680723895 1.90654821224 -0.175233423843 6 18.4884955220 -1.16205594440 -2.429127256041E-02 6 20.2830274345 2.97597725977 -0.173664688758 6 22.9799650421 -0.690079737778 -0.155208703405 6 20.8766221032 -2.22748679265 -6.903817015508E-02 6 18.1799381157 1.43239889865 -8.995095951044E-02 1 20.0909835172 4.98607533718 -0.281845826277 1 24.8405388049 -1.47638787062 -0.250726882769 1 21.0517072441 -4.24227251958 -5.371272626672E-02 1 16.3172055949 2.21104024810 -9.170563306660E-02 16 25.3324936821 3.86769909134 -0.204282249485 8 27.3689282330 2.43608131514 -1.26337330774 8 24.5588648910 6.25073611663 -1.22544756910 7 25.9991456410 4.32704671165 2.72259774632 1 25.3514763748 5.86285263510 3.60932921947 1 27.2925393220 3.24838521296 3.57606690334 6 16.2916230451 -2.89540499983 6.179565244721E-02 8 14.0727663740 -1.65964926922 7.242285012777E-02 6 11.7286122162 -3.12131087053 0.129207796905 1 11.6916371367 -4.36862899705 -1.48585984781 1 11.6980732731 -4.25127283221 1.82879684924 6 9.58109439663 -1.20776499556 6.511610601119E-02 1 9.76756866224 -7.139861485579E-02 -1.62808855633 1 9.76377736159 3.875539761361E-02 1.67952200771 8 16.4397777482 -5.17051756224 0.117582340473 6 6.98540215161 -2.52323506137 0.105275847922 1 6.82580399210 -3.67429399210 1.79800400123 1 6.83170567671 -3.78372128405 -1.50810456154 6 4.78702881724 -0.616612023999 3.768403587990E-02 1 4.93145580826 0.642205670084 1.65293843334 1 4.94358499840 0.538158692436 -1.65236070615 6 2.18592326697 -1.92237034783 6.880796847135E-02 1 2.02940000857 -3.07742276656 1.75724206468 1 2.04230086267 -3.18049871305 -1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 1.24972460005 1.62283624211 1 -1.81555813970 -0.949604486281 2.171294654113E-02 1 0.101559387270 1.14661307089 -1.69643499199 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide ------------------------------------------------ 6 16.3895792015 -0.240489114104 0.536193806704 6 11.2920888992 0.451096170868 -0.326090712247 6 14.8194157858 -2.31710236513 0.332180772567 6 15.4194231089 2.18266311147 0.390199489610 6 12.8721086867 2.51961306172 -4.014493484245E-02 6 12.2689440408 -1.96736827272 -0.104588496551 1 15.5860110543 -4.17358955286 0.566758904214 1 16.6431929451 3.77015985899 0.660657202547 1 12.0602052934 4.36724803133 -0.139997105688 1 11.0701659350 -3.59425419512 -0.203144347206 16 19.6304263353 -0.686794962887 1.01096050120 8 20.5702877543 1.51578267698 2.26860480338 8 19.9498684877 -3.17604514588 2.02400342944 7 20.8410111234 -0.697292062619 -1.77517976903 1 21.1380020961 -2.33317949807 -2.66979007743 1 21.5834993494 0.887153761337 -2.48491793384 6 8.55072081282 1.02933075625 -0.787372576289 8 7.74481307558 3.17762575485 -0.511396947249 7 7.05397038251 -0.888627903207 -1.54546896295 1 7.76234008752 -2.58922394741 -1.90477240945 6 4.34412151772 -0.471267660613 -1.97617977221 1 4.11567022133 1.31564616149 -2.93907082096 1 3.66918162500 -1.96785234101 -3.19655760703 6 2.83322401463 -0.431124044979 0.504279368481 1 3.11335731365 -2.20436047481 1.49304292078 1 3.57440415444 1.07510116992 1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 -1.49697720468 -1.17000519138 1 -0.298267921192 1.78626047228 -0.960482973300 1 -1.05317079190 4.110766263255E-02 1.75580559418 ------------------------------------------------ 6 12.2734251286 0.428907088210 -3.130417300445E-02 6 7.16512558575 -0.605433656762 -0.183825719733 6 10.5713708299 2.37495748345 -0.399070980710 6 11.4474717344 -2.04279012262 0.176766780326 6 8.89344536670 -2.55194533980 9.586430260886E-02 6 8.01368059796 1.85426065145 -0.469957115655 1 11.2546633574 4.25736622768 -0.680203900338 1 12.7976479862 -3.53900012680 0.347716707934 1 8.19737481149 -4.44495294702 0.221953717805 1 6.71862383287 3.36899815646 -0.820375895056 16 15.5058925312 1.09988548484 0.139878058083 8 16.8322621021 -1.12838754297 -0.629587328980 8 15.8847585470 3.49504260894 -1.06180455980 7 16.0744500874 1.48770706952 3.09912365385 1 16.0632182407 3.22273094432 3.84357473139 1 16.7466970697 5.130502478586E-02 4.12393032748 6 4.42868586731 -1.35626047301 -0.252477484269 8 3.82938195486 -3.56208325758 -0.576406362775 7 2.71818896568 0.506140006335 9.280093005674E-02 1 3.27509805498 2.22468116302 0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 -1.90115557994 -0.684101664629 1 -0.922458262213 1.31460329988 -1.26745769935 1 -0.840700153890 0.156106480461 1.86072422508 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide ------------------------------------------------ 6 16.3895792015 -0.240489114104 0.536193806704 6 11.2920888992 0.451096170868 -0.326090712247 6 14.8194157858 -2.31710236513 0.332180772567 6 15.4194231089 2.18266311147 0.390199489610 6 12.8721086867 2.51961306172 -4.014493484245E-02 6 12.2689440408 -1.96736827272 -0.104588496551 1 15.5860110543 -4.17358955286 0.566758904214 1 16.6431929451 3.77015985899 0.660657202547 1 12.0602052934 4.36724803133 -0.139997105688 1 11.0701659350 -3.59425419512 -0.203144347206 16 19.6304263353 -0.686794962887 1.01096050120 8 20.5702877543 1.51578267698 2.26860480338 8 19.9498684877 -3.17604514588 2.02400342944 7 20.8410111234 -0.697292062619 -1.77517976903 1 21.1380020961 -2.33317949807 -2.66979007743 1 21.5834993494 0.887153761337 -2.48491793384 6 8.55072081282 1.02933075625 -0.787372576289 8 7.74481307558 3.17762575485 -0.511396947249 7 7.05397038251 -0.888627903207 -1.54546896295 1 7.76234008752 -2.58922394741 -1.90477240945 6 4.34412151772 -0.471267660613 -1.97617977221 1 4.11567022133 1.31564616149 -2.93907082096 1 3.66918162500 -1.96785234101 -3.19655760703 6 2.83322401463 -0.431124044979 0.504279368481 1 3.11335731365 -2.20436047481 1.49304292078 1 3.57440415444 1.07510116992 1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 -1.49697720468 -1.17000519138 1 -0.298267921192 1.78626047228 -0.960482973300 1 -1.05317079190 4.110766263255E-02 1.75580559418 ------------------------------------------------ 6 13.4991057155 -0.357473590767 0.713811663238 6 8.48076024177 0.503164540210 -0.416629781928 6 11.8631397624 -2.37874757162 0.473562136431 6 12.6300343135 2.09621222127 0.471550344568 6 10.1214739007 2.51780523488 -9.207153793854E-02 6 9.35258280198 -1.94453974915 -9.759660250163E-02 1 12.5459565012 -4.25659611519 0.784414249864 1 13.8986334476 3.64265027953 0.771481617840 1 9.38607236031 4.39164092392 -0.267910179188 1 8.09763925784 -3.52677510687 -0.221740185849 16 16.6935460046 -0.912646421298 1.35805736093 8 17.6544840841 1.28364835574 2.61076734769 8 16.8676643394 -3.38662077444 2.44146121239 7 18.0366372567 -1.03700758771 -1.36404066179 1 18.3163089429 -2.70480564337 -2.20359468998 1 18.8696549651 0.501492704799 -2.07432409737 6 5.78952802473 1.16981982693 -1.02631101775 8 5.04502030288 3.34753860849 -0.814795268017 7 4.26922563055 -0.704156458501 -1.84300557024 1 4.93783248921 -2.42933031646 -2.15895801923 6 1.59945609057 -0.196996634022 -2.41475962510 1 1.48860461593 1.55437999117 -3.45794673312 1 0.926691554047 -1.71487444573 -3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 -1.73213272312 1.08507996536 1 -1.96325947579 0.346439546764 -0.473696207925 1 0.684941159121 1.55321650721 1.13775889828 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 17.9683881599 -0.297292077107 1.27536857331 6 13.1074956167 0.472207080671 -0.453228519305 6 16.4795229986 -2.34875635930 0.647864180363 6 17.0206311288 2.13415723988 1.11906109396 6 14.5917090576 2.50997045525 0.254800853982 6 14.0483817764 -1.95969349025 -0.221879028027 1 17.2064313178 -4.21995575715 0.891477750401 1 18.1611556206 3.69459587591 1.71498801728 1 13.7960455627 4.36328224970 0.132995603972 1 12.9022737548 -3.57153468866 -0.648336550217 16 21.0720806852 -0.788022958085 2.30216806175 8 21.7468110653 1.31897174983 3.85840867623 8 21.2227851157 -3.34246112332 3.18367143395 7 22.7709964146 -0.611425397042 -0.210357613229 1 23.2419454469 -2.18327885030 -1.14424461781 1 23.6155189330 1.01555484106 -0.663326749229 6 10.4913649952 1.09295624704 -1.36656090135 8 9.63574908684 3.22390935997 -1.10529668512 7 9.16801166064 -0.764206510305 -2.50274977654 1 9.93546118641 -2.44582902745 -2.82792804056 6 6.57752127994 -0.303665749238 -3.38789268707 1 6.51903031968 1.54105374663 -4.26306789461 1 6.14310735722 -1.71711069845 -4.80129056636 6 4.64548715274 -0.408008321980 -1.22155256882 1 4.74877437287 -2.24262500055 -0.310278321539 1 5.15722580814 1.01799017637 0.154647286614 6 1.93810690142 7.135985398158E-02 -2.17182509407 1 1.44127945712 -1.34174421826 -3.57579700736 1 1.85954730813 1.90266503311 -3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 -1.83021062745 0.923376785869 1 -1.89573167271 0.347838378411 -0.695134146311 1 0.441627040364 1.42860412068 1.40142839635 ------------------------------------------------ 6 5.04401540573 5.065785560124E-17 -8.565768416162E-02 6 9.27990108396 9.396277336371E-17 2.94283641892 6 6.11045552513 2.27247789332 0.644730598780 6 6.11045552513 -2.27247789332 0.644730598780 6 8.22908048709 -2.26870089799 2.17155776959 6 8.22908048709 2.26870089799 2.17155776959 1 5.30807717985 4.00751998316 -1.696942951703E-02 1 5.30807717985 -4.00751998316 -1.696942951703E-02 1 9.06580730279 -4.02284755065 2.73828333892 1 9.06580730279 4.02284755065 2.73828333892 1 10.9268739609 1.108006638944E-16 4.12165702328 16 2.32566022845 2.288454205577E-17 -1.95862643609 8 2.24799399215 -2.36940193927 -3.26556451771 8 2.24799399215 2.36940193927 -3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 1.62837329388 0.493096431600 1 -0.817594738155 -1.62837329388 0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 17.9683881599 -0.297292077107 1.27536857331 6 13.1074956167 0.472207080671 -0.453228519305 6 16.4795229986 -2.34875635930 0.647864180363 6 17.0206311288 2.13415723988 1.11906109396 6 14.5917090576 2.50997045525 0.254800853982 6 14.0483817764 -1.95969349025 -0.221879028027 1 17.2064313178 -4.21995575715 0.891477750401 1 18.1611556206 3.69459587591 1.71498801728 1 13.7960455627 4.36328224970 0.132995603972 1 12.9022737548 -3.57153468866 -0.648336550217 16 21.0720806852 -0.788022958085 2.30216806175 8 21.7468110653 1.31897174983 3.85840867623 8 21.2227851157 -3.34246112332 3.18367143395 7 22.7709964146 -0.611425397042 -0.210357613229 1 23.2419454469 -2.18327885030 -1.14424461781 1 23.6155189330 1.01555484106 -0.663326749229 6 10.4913649952 1.09295624704 -1.36656090135 8 9.63574908684 3.22390935997 -1.10529668512 7 9.16801166064 -0.764206510305 -2.50274977654 1 9.93546118641 -2.44582902745 -2.82792804056 6 6.57752127994 -0.303665749238 -3.38789268707 1 6.51903031968 1.54105374663 -4.26306789461 1 6.14310735722 -1.71711069845 -4.80129056636 6 4.64548715274 -0.408008321980 -1.22155256882 1 4.74877437287 -2.24262500055 -0.310278321539 1 5.15722580814 1.01799017637 0.154647286614 6 1.93810690142 7.135985398158E-02 -2.17182509407 1 1.44127945712 -1.34174421826 -3.57579700736 1 1.85954730813 1.90266503311 -3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 -1.83021062745 0.923376785869 1 -1.89573167271 0.347838378411 -0.695134146311 1 0.441627040364 1.42860412068 1.40142839635 ------------------------------------------------ 6 8.11007909745 -8.556435899195E-18 -0.100897097935 6 2.86329951331 -2.922536611154E-18 -7.349736953064E-02 6 6.80777063774 -2.26567639154 -0.121232299609 6 6.80777063774 2.26567639154 -0.121232299609 6 4.19897121896 2.25839811190 -9.895828809266E-02 6 4.19897121896 -2.25839811190 -9.895828809266E-02 1 7.83682406515 -4.00573551491 -0.201208431763 1 7.83682406515 4.00573551491 -0.201208431763 1 3.19435364603 4.01778780932 -0.125815986880 1 3.19435364603 -4.01778780932 -0.125815986880 16 11.4059109298 -1.222287901647E-17 -6.903234852523E-02 8 12.2226557176 2.36966347735 -1.09351831769 8 12.2226557176 -2.36966347735 -1.09351831769 7 12.1903871090 -2.070990068685E-17 2.87084462677 1 12.5792272181 -1.62848573258 3.74230825804 1 12.5792272181 1.62848573258 3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 -4.336273740756E-18 1.94437378897 1 -0.758564487207 1.65923610975 -0.927043031519 1 -0.758564487207 -1.65923610975 -0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 17.9683881599 -0.297292077107 1.27536857331 6 13.1074956167 0.472207080671 -0.453228519305 6 16.4795229986 -2.34875635930 0.647864180363 6 17.0206311288 2.13415723988 1.11906109396 6 14.5917090576 2.50997045525 0.254800853982 6 14.0483817764 -1.95969349025 -0.221879028027 1 17.2064313178 -4.21995575715 0.891477750401 1 18.1611556206 3.69459587591 1.71498801728 1 13.7960455627 4.36328224970 0.132995603972 1 12.9022737548 -3.57153468866 -0.648336550217 16 21.0720806852 -0.788022958085 2.30216806175 8 21.7468110653 1.31897174983 3.85840867623 8 21.2227851157 -3.34246112332 3.18367143395 7 22.7709964146 -0.611425397042 -0.210357613229 1 23.2419454469 -2.18327885030 -1.14424461781 1 23.6155189330 1.01555484106 -0.663326749229 6 10.4913649952 1.09295624704 -1.36656090135 8 9.63574908684 3.22390935997 -1.10529668512 7 9.16801166064 -0.764206510305 -2.50274977654 1 9.93546118641 -2.44582902745 -2.82792804056 6 6.57752127994 -0.303665749238 -3.38789268707 1 6.51903031968 1.54105374663 -4.26306789461 1 6.14310735722 -1.71711069845 -4.80129056636 6 4.64548715274 -0.408008321980 -1.22155256882 1 4.74877437287 -2.24262500055 -0.310278321539 1 5.15722580814 1.01799017637 0.154647286614 6 1.93810690142 7.135985398158E-02 -2.17182509407 1 1.44127945712 -1.34174421826 -3.57579700736 1 1.85954730813 1.90266503311 -3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 -1.83021062745 0.923376785869 1 -1.89573167271 0.347838378411 -0.695134146311 1 0.441627040364 1.42860412068 1.40142839635 ------------------------------------------------ 6 9.49515614095 1.986230634504E-17 0.330909318726 6 4.54766506655 -1.418482302241E-17 -1.41449070261 6 8.25938767444 2.26624765571 -7.914581718090E-02 6 8.25938767444 -2.26624765571 -7.914581718090E-02 6 5.80247435955 -2.25843288285 -0.956589914867 6 5.80247435955 2.25843288285 -0.956589914867 1 9.20891937494 4.00630432243 0.325801090800 1 9.20891937494 -4.00630432243 0.325801090800 1 4.84800788582 -4.01788928760 -1.27432519389 1 4.84800788582 4.01788928760 -1.27432519389 16 12.6215076530 4.047871219384E-17 1.37421975164 8 13.0597966465 -2.36964987132 2.60912294465 8 13.0597966465 2.36964987132 2.60912294465 7 14.3219760733 5.129921083899E-18 -1.14895839935 1 14.9723537348 1.62851785792 -1.84712919698 1 14.9723537348 -1.62851785792 -1.84712919698 6 1.82011448549 -3.162508651201E-17 -2.28845439361 1 1.46450096442 -1.65231782291 -3.44535547264 1 1.46450096442 1.65231782291 -3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 -1.65855864299 1.15861699465 1 0.312880607522 1.65855864299 1.15861699465 1 -1.95068478995 -1.250653597013E-17 -0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 17.9683881599 -0.297292077107 1.27536857331 6 13.1074956167 0.472207080671 -0.453228519305 6 16.4795229986 -2.34875635930 0.647864180363 6 17.0206311288 2.13415723988 1.11906109396 6 14.5917090576 2.50997045525 0.254800853982 6 14.0483817764 -1.95969349025 -0.221879028027 1 17.2064313178 -4.21995575715 0.891477750401 1 18.1611556206 3.69459587591 1.71498801728 1 13.7960455627 4.36328224970 0.132995603972 1 12.9022737548 -3.57153468866 -0.648336550217 16 21.0720806852 -0.788022958085 2.30216806175 8 21.7468110653 1.31897174983 3.85840867623 8 21.2227851157 -3.34246112332 3.18367143395 7 22.7709964146 -0.611425397042 -0.210357613229 1 23.2419454469 -2.18327885030 -1.14424461781 1 23.6155189330 1.01555484106 -0.663326749229 6 10.4913649952 1.09295624704 -1.36656090135 8 9.63574908684 3.22390935997 -1.10529668512 7 9.16801166064 -0.764206510305 -2.50274977654 1 9.93546118641 -2.44582902745 -2.82792804056 6 6.57752127994 -0.303665749238 -3.38789268707 1 6.51903031968 1.54105374663 -4.26306789461 1 6.14310735722 -1.71711069845 -4.80129056636 6 4.64548715274 -0.408008321980 -1.22155256882 1 4.74877437287 -2.24262500055 -0.310278321539 1 5.15722580814 1.01799017637 0.154647286614 6 1.93810690142 7.135985398158E-02 -2.17182509407 1 1.44127945712 -1.34174421826 -3.57579700736 1 1.85954730813 1.90266503311 -3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 -1.83021062745 0.923376785869 1 -1.89573167271 0.347838378411 -0.695134146311 1 0.441627040364 1.42860412068 1.40142839635 ------------------------------------------------ 6 12.3462848294 8.276065163872E-20 0.219629035968 6 7.27697590475 -1.666425406161E-18 -1.13352461031 6 11.0821729337 2.26629036351 -9.228879249722E-02 6 11.0821729337 -2.26629036351 -9.228879249722E-02 6 8.56408820998 -2.25853587292 -0.774654122839 6 8.56408820998 2.25853587292 -0.774654122839 1 12.0604999845 4.00629846428 0.237334526856 1 12.0604999845 -4.00629846428 0.237334526856 1 7.58747623906 -4.01782409206 -1.01660875510 1 7.58747623906 4.01782409206 -1.01660875510 16 15.5446672699 1.106855929460E-18 1.01482146618 8 16.0785895276 -2.36961755701 2.21160547802 8 16.0785895276 2.36961755701 2.21160547802 7 17.0423265084 -2.516184840979E-18 -1.63372129060 1 17.6356158799 1.62852220429 -2.38095755132 1 17.6356158799 -1.62852220429 -2.38095755132 6 4.48973225005 -2.504801715792E-18 -1.78668016231 1 4.03784923022 -1.65364233185 -2.91036104922 1 4.03784923022 1.65364233185 -2.91036104922 6 2.84178543494 8.061817684800E-19 0.630150435706 1 3.30689183592 -1.64977444070 1.75284818480 1 3.30689183592 1.64977444070 1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 -1.66081705451 -1.09295879416 1 -1.12447528227 2.345093436379E-18 1.71233470070 1 -0.500643208584 1.66081705451 -1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide ------------------------------------------------ 6 17.9683881599 -0.297292077107 1.27536857331 6 13.1074956167 0.472207080671 -0.453228519305 6 16.4795229986 -2.34875635930 0.647864180363 6 17.0206311288 2.13415723988 1.11906109396 6 14.5917090576 2.50997045525 0.254800853982 6 14.0483817764 -1.95969349025 -0.221879028027 1 17.2064313178 -4.21995575715 0.891477750401 1 18.1611556206 3.69459587591 1.71498801728 1 13.7960455627 4.36328224970 0.132995603972 1 12.9022737548 -3.57153468866 -0.648336550217 16 21.0720806852 -0.788022958085 2.30216806175 8 21.7468110653 1.31897174983 3.85840867623 8 21.2227851157 -3.34246112332 3.18367143395 7 22.7709964146 -0.611425397042 -0.210357613229 1 23.2419454469 -2.18327885030 -1.14424461781 1 23.6155189330 1.01555484106 -0.663326749229 6 10.4913649952 1.09295624704 -1.36656090135 8 9.63574908684 3.22390935997 -1.10529668512 7 9.16801166064 -0.764206510305 -2.50274977654 1 9.93546118641 -2.44582902745 -2.82792804056 6 6.57752127994 -0.303665749238 -3.38789268707 1 6.51903031968 1.54105374663 -4.26306789461 1 6.14310735722 -1.71711069845 -4.80129056636 6 4.64548715274 -0.408008321980 -1.22155256882 1 4.74877437287 -2.24262500055 -0.310278321539 1 5.15722580814 1.01799017637 0.154647286614 6 1.93810690142 7.135985398158E-02 -2.17182509407 1 1.44127945712 -1.34174421826 -3.57579700736 1 1.85954730813 1.90266503311 -3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 -1.83021062745 0.923376785869 1 -1.89573167271 0.347838378411 -0.695134146311 1 0.441627040364 1.42860412068 1.40142839635 ------------------------------------------------ 6 14.1238159113 -1.214503673567E-17 0.678437661017 6 9.44100667607 -7.329180195868E-17 -1.68836769331 6 12.9508759688 2.26624992338 0.112955994743 6 12.9508759688 -2.26624992338 0.112955994743 6 10.6269754875 -2.25848844080 -1.07270695836 6 10.6269754875 2.25848844080 -1.07270695836 1 13.8404298349 4.00630337757 0.636723693997 1 13.8404298349 -4.00630337757 0.636723693997 1 9.72086351835 -4.01774604637 -1.51016368205 1 9.72086351835 4.01774604637 -1.51016368205 16 17.0896510524 2.469474469544E-17 2.11542048055 8 17.3657436482 -2.36962001365 3.39654871916 8 17.3657436482 2.36962001365 3.39654871916 7 19.1011870389 -4.944166890890E-17 -0.167534197609 1 19.8356986120 1.62853921182 -0.776447021723 1 19.8356986120 -1.62853921182 -0.776447021723 6 6.84711615725 -1.041405701228E-16 -2.90008400935 1 6.63682781461 1.65387609096 -4.09248466188 1 6.63682781461 -1.65387609096 -4.09248466188 6 4.74105840551 -3.748430357849E-17 -0.870168924938 1 4.96583213621 1.65095665328 0.325145161310 1 4.96583213621 -1.65095665328 0.325145161310 6 2.07671001580 -6.693452376398E-17 -2.04129882743 1 1.86017810411 1.65244972578 -3.23844110052 1 1.86017810411 -1.65244972578 -3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 1.66008648645 1.19157111842 1 -1.86482588637 -2.150045959666E-17 -0.848869041688 1 0.161115980412 -1.66008648645 1.19157111842 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide --> 6-*- 6 (6)4-Am-Benzenesulfonamide ------------------------------------------------ 6 17.9683881599 -0.297292077107 1.27536857331 6 13.1074956167 0.472207080671 -0.453228519305 6 16.4795229986 -2.34875635930 0.647864180363 6 17.0206311288 2.13415723988 1.11906109396 6 14.5917090576 2.50997045525 0.254800853982 6 14.0483817764 -1.95969349025 -0.221879028027 1 17.2064313178 -4.21995575715 0.891477750401 1 18.1611556206 3.69459587591 1.71498801728 1 13.7960455627 4.36328224970 0.132995603972 1 12.9022737548 -3.57153468866 -0.648336550217 16 21.0720806852 -0.788022958085 2.30216806175 8 21.7468110653 1.31897174983 3.85840867623 8 21.2227851157 -3.34246112332 3.18367143395 7 22.7709964146 -0.611425397042 -0.210357613229 1 23.2419454469 -2.18327885030 -1.14424461781 1 23.6155189330 1.01555484106 -0.663326749229 6 10.4913649952 1.09295624704 -1.36656090135 8 9.63574908684 3.22390935997 -1.10529668512 7 9.16801166064 -0.764206510305 -2.50274977654 1 9.93546118641 -2.44582902745 -2.82792804056 6 6.57752127994 -0.303665749238 -3.38789268707 1 6.51903031968 1.54105374663 -4.26306789461 1 6.14310735722 -1.71711069845 -4.80129056636 6 4.64548715274 -0.408008321980 -1.22155256882 1 4.74877437287 -2.24262500055 -0.310278321539 1 5.15722580814 1.01799017637 0.154647286614 6 1.93810690142 7.135985398158E-02 -2.17182509407 1 1.44127945712 -1.34174421826 -3.57579700736 1 1.85954730813 1.90266503311 -3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 -1.83021062745 0.923376785869 1 -1.89573167271 0.347838378411 -0.695134146311 1 0.441627040364 1.42860412068 1.40142839635 ------------------------------------------------ 6 16.9068057473 -0.243177970445 1.059325119563E-16 6 12.0155875324 1.65600530852 7.874007219591E-16 6 15.7028346951 0.252939874960 2.26622819153 6 15.7028346951 0.252939874960 -2.26622819153 6 13.2672687790 1.18799231963 -2.25851621977 6 13.2672687790 1.18799231963 2.25851621977 1 16.6905927723 -4.935959543974E-02 4.00587781127 1 16.6905927723 -4.935959543974E-02 -4.00587781127 1 12.3418929399 1.58361797677 -4.01758126227 1 12.3418929399 1.58361797677 4.01758126227 16 19.9613139677 -1.48061075670 -3.396565444380E-16 8 21.0975033451 -0.827628604396 -2.36965497358 8 21.0975033451 -0.827628604396 2.36965497358 7 19.6140817394 -4.50363661503 -1.520890767875E-15 1 19.6563448244 -5.45686048237 1.62850009449 1 19.6563448244 -5.45686048237 -1.62850009449 6 9.31463490683 2.60509907624 1.124910972962E-15 1 8.98767928251 3.77103356608 1.65353820795 1 8.98767928251 3.77103356608 -1.65353820795 6 7.41754404250 0.378508099205 2.354035425308E-16 1 7.75886683358 -0.788097380015 1.65185162751 1 7.75886683358 -0.788097380015 -1.65185162751 6 4.65268631611 1.28701345345 5.563510498846E-16 1 4.32004736793 2.45842354097 1.65339251008 1 4.32004736793 2.45842354097 -1.65339251008 6 2.76072678768 -0.925807775628 -3.277337893163E-16 1 3.09073708924 -2.09665994535 1.65204135600 1 3.09073708924 -2.09665994535 -1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 1.14184653845 1.66034613480 1 -1.30590878374 -1.57901648689 -6.303379891292E-16 1 -0.377248445559 1.14184653845 -1.66034613480 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide ------------------------------------------------ 6 17.9683881599 -0.297292077107 1.27536857331 6 13.1074956167 0.472207080671 -0.453228519305 6 16.4795229986 -2.34875635930 0.647864180363 6 17.0206311288 2.13415723988 1.11906109396 6 14.5917090576 2.50997045525 0.254800853982 6 14.0483817764 -1.95969349025 -0.221879028027 1 17.2064313178 -4.21995575715 0.891477750401 1 18.1611556206 3.69459587591 1.71498801728 1 13.7960455627 4.36328224970 0.132995603972 1 12.9022737548 -3.57153468866 -0.648336550217 16 21.0720806852 -0.788022958085 2.30216806175 8 21.7468110653 1.31897174983 3.85840867623 8 21.2227851157 -3.34246112332 3.18367143395 7 22.7709964146 -0.611425397042 -0.210357613229 1 23.2419454469 -2.18327885030 -1.14424461781 1 23.6155189330 1.01555484106 -0.663326749229 6 10.4913649952 1.09295624704 -1.36656090135 8 9.63574908684 3.22390935997 -1.10529668512 7 9.16801166064 -0.764206510305 -2.50274977654 1 9.93546118641 -2.44582902745 -2.82792804056 6 6.57752127994 -0.303665749238 -3.38789268707 1 6.51903031968 1.54105374663 -4.26306789461 1 6.14310735722 -1.71711069845 -4.80129056636 6 4.64548715274 -0.408008321980 -1.22155256882 1 4.74877437287 -2.24262500055 -0.310278321539 1 5.15722580814 1.01799017637 0.154647286614 6 1.93810690142 7.135985398158E-02 -2.17182509407 1 1.44127945712 -1.34174421826 -3.57579700736 1 1.85954730813 1.90266503311 -3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 -1.83021062745 0.923376785869 1 -1.89573167271 0.347838378411 -0.695134146311 1 0.441627040364 1.42860412068 1.40142839635 ------------------------------------------------ 6 12.0127056291 -0.467319191248 0.111806432972 6 6.97352093600 0.759917308701 4.748266917407E-02 6 10.2217532895 -2.37079219426 0.152809003460 6 11.3033419938 2.04980757052 9.307700569057E-02 6 8.76972951282 2.66113662451 5.092383423729E-02 6 7.68607351310 -1.75397861179 0.112223563757 1 10.8183018721 -4.29997421278 0.259688127616 1 12.7207799808 3.49060386186 0.155267676093 1 8.15790328645 4.58878364063 3.776105769249E-02 1 6.26630294078 -3.18887845369 0.146456888627 16 15.2263520177 -1.25494370756 8.406950718910E-02 8 16.5763713396 0.857729096636 1.09992283794 8 15.4471228542 -3.74394477194 1.12115495093 7 15.9595091226 -1.44681230628 -2.85648386684 1 15.9368640683 -3.12142107712 -3.72820018659 1 16.7225609771 3.868535428217E-02 -3.73740008869 6 4.28110783217 1.51706821998 4.380793909740E-03 8 3.53735775286 3.67127241182 -4.627237069106E-02 8 2.70645115658 -0.479140449071 2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 1.08656629775 1.64022531142 1 -0.866069129495 -1.83937203385 2.906081667564E-02 1 -0.516390062658 1.02531407580 -1.68530034526 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide ------------------------------------------------ 6 17.9683881599 -0.297292077107 1.27536857331 6 13.1074956167 0.472207080671 -0.453228519305 6 16.4795229986 -2.34875635930 0.647864180363 6 17.0206311288 2.13415723988 1.11906109396 6 14.5917090576 2.50997045525 0.254800853982 6 14.0483817764 -1.95969349025 -0.221879028027 1 17.2064313178 -4.21995575715 0.891477750401 1 18.1611556206 3.69459587591 1.71498801728 1 13.7960455627 4.36328224970 0.132995603972 1 12.9022737548 -3.57153468866 -0.648336550217 16 21.0720806852 -0.788022958085 2.30216806175 8 21.7468110653 1.31897174983 3.85840867623 8 21.2227851157 -3.34246112332 3.18367143395 7 22.7709964146 -0.611425397042 -0.210357613229 1 23.2419454469 -2.18327885030 -1.14424461781 1 23.6155189330 1.01555484106 -0.663326749229 6 10.4913649952 1.09295624704 -1.36656090135 8 9.63574908684 3.22390935997 -1.10529668512 7 9.16801166064 -0.764206510305 -2.50274977654 1 9.93546118641 -2.44582902745 -2.82792804056 6 6.57752127994 -0.303665749238 -3.38789268707 1 6.51903031968 1.54105374663 -4.26306789461 1 6.14310735722 -1.71711069845 -4.80129056636 6 4.64548715274 -0.408008321980 -1.22155256882 1 4.74877437287 -2.24262500055 -0.310278321539 1 5.15722580814 1.01799017637 0.154647286614 6 1.93810690142 7.135985398158E-02 -2.17182509407 1 1.44127945712 -1.34174421826 -3.57579700736 1 1.85954730813 1.90266503311 -3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 -1.83021062745 0.923376785869 1 -1.89573167271 0.347838378411 -0.695134146311 1 0.441627040364 1.42860412068 1.40142839635 ------------------------------------------------ 6 9.25649635012 1.80846527957 9.292601243073E-02 6 4.49653007628 -0.252386364964 5.563329730033E-02 6 8.97661510100 -0.790299344150 0.119114341606 6 7.17209172246 3.38798511785 0.102169685012 6 4.78224687467 2.34735739516 7.329320901833E-02 6 6.58177520099 -1.82758693433 9.237860791359E-02 1 10.6170947155 -1.96958871556 0.204027651419 1 7.43391914542 5.39176377246 0.175377186833 1 3.13114524169 3.51529832560 8.157662744579E-02 1 6.31465409765 -3.82860234946 0.115984151186 16 12.2941652834 3.11903583590 4.829871274683E-02 8 12.1064542125 5.60990047425 1.08680327140 8 13.9812398042 1.25851015147 1.05437846650 7 12.9682120575 3.43319864541 -2.89600901229 1 13.9516579638 2.09107340260 -3.78830088073 1 12.6725674087 5.08557002470 -3.76041888038 6 1.89086902464 -1.27466774715 2.847109335790E-02 8 1.83775228380 -3.81438709360 3.668617006514E-02 6 -0.611334772331 -5.09553939230 2.759474634627E-02 1 -1.67193584771 -4.49484752416 1.66284241111 1 -1.63290597596 -4.54650767572 -1.65033477868 6 -2.628882640013E-02 -7.90958602311 7.826139859268E-02 1 1.04055063371 -8.37091267308 1.76016592182 1 1.08118978950 -8.42305482102 -1.56183569609 1 -1.76381943467 -8.99262746496 7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide ------------------------------------------------ 6 17.9683881599 -0.297292077107 1.27536857331 6 13.1074956167 0.472207080671 -0.453228519305 6 16.4795229986 -2.34875635930 0.647864180363 6 17.0206311288 2.13415723988 1.11906109396 6 14.5917090576 2.50997045525 0.254800853982 6 14.0483817764 -1.95969349025 -0.221879028027 1 17.2064313178 -4.21995575715 0.891477750401 1 18.1611556206 3.69459587591 1.71498801728 1 13.7960455627 4.36328224970 0.132995603972 1 12.9022737548 -3.57153468866 -0.648336550217 16 21.0720806852 -0.788022958085 2.30216806175 8 21.7468110653 1.31897174983 3.85840867623 8 21.2227851157 -3.34246112332 3.18367143395 7 22.7709964146 -0.611425397042 -0.210357613229 1 23.2419454469 -2.18327885030 -1.14424461781 1 23.6155189330 1.01555484106 -0.663326749229 6 10.4913649952 1.09295624704 -1.36656090135 8 9.63574908684 3.22390935997 -1.10529668512 7 9.16801166064 -0.764206510305 -2.50274977654 1 9.93546118641 -2.44582902745 -2.82792804056 6 6.57752127994 -0.303665749238 -3.38789268707 1 6.51903031968 1.54105374663 -4.26306789461 1 6.14310735722 -1.71711069845 -4.80129056636 6 4.64548715274 -0.408008321980 -1.22155256882 1 4.74877437287 -2.24262500055 -0.310278321539 1 5.15722580814 1.01799017637 0.154647286614 6 1.93810690142 7.135985398158E-02 -2.17182509407 1 1.44127945712 -1.34174421826 -3.57579700736 1 1.85954730813 1.90266503311 -3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 -1.83021062745 0.923376785869 1 -1.89573167271 0.347838378411 -0.695134146311 1 0.441627040364 1.42860412068 1.40142839635 ------------------------------------------------ 6 16.2691799750 -0.861123974289 0.131186883282 6 11.5121945621 1.20427204035 2.028457912686E-02 6 14.1804039648 -2.43212467262 0.170027955664 6 15.9979271981 1.73975638478 9.085209513991E-02 6 13.6053532164 2.77244247494 2.499575182470E-02 6 11.7868447762 -1.39343219905 0.106330752902 1 14.4397111888 -4.43379554927 0.293347888880 1 17.6391790059 2.91927288464 0.155077522013 1 13.3297352136 4.77580185192 -5.280276989638E-03 1 10.1431555114 -2.56525744119 0.138937307621 16 19.3020004227 -2.18348775204 0.134299477251 8 20.9842079738 -0.325733494236 1.15270139607 8 19.0886880558 -4.66812122535 1.18366001761 7 20.0154046741 -2.51391842666 -2.79896253743 1 19.7140075146 -4.16469009410 -3.66423830225 1 21.0264342221 -1.18451012097 -3.67951649332 6 8.98524438142 2.40710164988 -4.683800638368E-02 8 8.62404088094 4.65762117820 -0.119145313158 8 7.09521260910 0.710056286046 -2.027193485411E-02 6 4.48588899364 1.61442012240 -6.043557639931E-02 1 4.18402977757 2.83160191470 1.54997335048 1 4.18851510037 2.69852442655 -1.76429702456 6 2.81774658260 -0.727728392362 3.131445935321E-02 1 3.26511634385 -1.91346199534 -1.57535965464 1 3.26258594609 -1.78075553052 1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 -1.67378352623 6.601676572586E-02 1 -0.468128283684 1.03824231167 -1.70442814436 1 -0.470300494955 1.17038221894 1.61582801791 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide ------------------------------------------------ 6 17.9683881599 -0.297292077107 1.27536857331 6 13.1074956167 0.472207080671 -0.453228519305 6 16.4795229986 -2.34875635930 0.647864180363 6 17.0206311288 2.13415723988 1.11906109396 6 14.5917090576 2.50997045525 0.254800853982 6 14.0483817764 -1.95969349025 -0.221879028027 1 17.2064313178 -4.21995575715 0.891477750401 1 18.1611556206 3.69459587591 1.71498801728 1 13.7960455627 4.36328224970 0.132995603972 1 12.9022737548 -3.57153468866 -0.648336550217 16 21.0720806852 -0.788022958085 2.30216806175 8 21.7468110653 1.31897174983 3.85840867623 8 21.2227851157 -3.34246112332 3.18367143395 7 22.7709964146 -0.611425397042 -0.210357613229 1 23.2419454469 -2.18327885030 -1.14424461781 1 23.6155189330 1.01555484106 -0.663326749229 6 10.4913649952 1.09295624704 -1.36656090135 8 9.63574908684 3.22390935997 -1.10529668512 7 9.16801166064 -0.764206510305 -2.50274977654 1 9.93546118641 -2.44582902745 -2.82792804056 6 6.57752127994 -0.303665749238 -3.38789268707 1 6.51903031968 1.54105374663 -4.26306789461 1 6.14310735722 -1.71711069845 -4.80129056636 6 4.64548715274 -0.408008321980 -1.22155256882 1 4.74877437287 -2.24262500055 -0.310278321539 1 5.15722580814 1.01799017637 0.154647286614 6 1.93810690142 7.135985398158E-02 -2.17182509407 1 1.44127945712 -1.34174421826 -3.57579700736 1 1.85954730813 1.90266503311 -3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 -1.83021062745 0.923376785869 1 -1.89573167271 0.347838378411 -0.695134146311 1 0.441627040364 1.42860412068 1.40142839635 ------------------------------------------------ 6 17.9684279399 -1.54301176377 0.149693423226 6 13.6326730870 1.30132688262 2.138183749743E-02 6 15.6426740929 -2.73563073422 0.189786012449 6 18.1438750705 1.06604052147 9.962044033802E-02 6 15.9621451629 2.49057033907 2.523220981312E-02 6 13.4610204855 -1.30509459913 0.117287370756 1 15.5573431966 -4.75166639252 0.321088296824 1 19.9617870444 1.94922244854 0.163264253275 1 16.0314585342 4.51140907128 -1.239461845501E-02 1 11.6418341179 -2.17978662007 0.150641401029 16 20.7317846783 -3.36204210634 0.163987391502 8 22.7051478607 -1.81249173186 1.17548489088 8 20.0987699462 -5.76903704384 1.22508771415 7 21.3801516200 -3.82469400623 -2.76690153273 1 20.8048852121 -5.40607792939 -3.62309870587 1 22.6005200302 -2.68935847433 -3.65393602741 6 11.3472294671 2.91626214998 -5.651370344789E-02 8 9.19665552725 1.56522590120 -3.245613991045E-02 6 6.77856962350 2.90016097853 -8.749655544515E-02 1 6.67652246165 4.14495637472 1.52674105702 1 6.68550306343 4.02593032336 -1.78755983989 6 4.73704841955 0.874096953142 -1.969560988444E-02 1 4.98065500262 -0.246176556333 1.67702200013 1 4.98893864106 -0.366141886882 -1.62964287548 8 11.3745245833 5.19521098803 -0.135688264964 6 2.07271853085 2.04310727132 -6.880948422220E-02 1 1.85408721205 3.17805095775 -1.76397604453 1 1.84594669663 3.29720682002 1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 -1.24962477650 -1.61609500694 1 -1.86381093455 0.848750824383 -3.507941596838E-02 1 0.158113135931 -1.12952769314 1.70286806009 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide --> 11-*- 11 (11)4-COOAm-benzenesulfonamide ------------------------------------------------ 6 17.9683881599 -0.297292077107 1.27536857331 6 13.1074956167 0.472207080671 -0.453228519305 6 16.4795229986 -2.34875635930 0.647864180363 6 17.0206311288 2.13415723988 1.11906109396 6 14.5917090576 2.50997045525 0.254800853982 6 14.0483817764 -1.95969349025 -0.221879028027 1 17.2064313178 -4.21995575715 0.891477750401 1 18.1611556206 3.69459587591 1.71498801728 1 13.7960455627 4.36328224970 0.132995603972 1 12.9022737548 -3.57153468866 -0.648336550217 16 21.0720806852 -0.788022958085 2.30216806175 8 21.7468110653 1.31897174983 3.85840867623 8 21.2227851157 -3.34246112332 3.18367143395 7 22.7709964146 -0.611425397042 -0.210357613229 1 23.2419454469 -2.18327885030 -1.14424461781 1 23.6155189330 1.01555484106 -0.663326749229 6 10.4913649952 1.09295624704 -1.36656090135 8 9.63574908684 3.22390935997 -1.10529668512 7 9.16801166064 -0.764206510305 -2.50274977654 1 9.93546118641 -2.44582902745 -2.82792804056 6 6.57752127994 -0.303665749238 -3.38789268707 1 6.51903031968 1.54105374663 -4.26306789461 1 6.14310735722 -1.71711069845 -4.80129056636 6 4.64548715274 -0.408008321980 -1.22155256882 1 4.74877437287 -2.24262500055 -0.310278321539 1 5.15722580814 1.01799017637 0.154647286614 6 1.93810690142 7.135985398158E-02 -2.17182509407 1 1.44127945712 -1.34174421826 -3.57579700736 1 1.85954730813 1.90266503311 -3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 -1.83021062745 0.923376785869 1 -1.89573167271 0.347838378411 -0.695134146311 1 0.441627040364 1.42860412068 1.40142839635 ------------------------------------------------ 6 20.7940103927 -1.18292577645 0.135748344237 6 16.2553748543 1.32561650568 1.898358840442E-02 6 18.5653398548 -2.54782901355 0.185991958815 6 20.7714899222 1.43194635192 8.119491494154E-02 6 18.4881809521 2.68752983337 1.268047644927E-02 6 16.2816292072 -1.28621992460 0.119293218161 1 18.6330826801 -4.56430368467 0.320494210942 1 22.5176825572 2.45010794741 0.136961916771 1 18.4044365481 4.70774521966 -2.810073710092E-02 1 14.5338256999 -2.29576106594 0.160475355254 16 23.6871881374 -2.78742501086 0.142668366748 8 25.5411157417 -1.09148804236 1.14525598407 8 23.2417958312 -5.23383132605 1.20898679380 7 24.3589360690 -3.20370291968 -2.78991772878 1 23.9091509095 -4.82809819444 -3.64057141352 1 25.4806790933 -1.97605258766 -3.68426382740 6 13.8540126043 2.76296861394 -5.303453877654E-02 8 11.8120703378 1.25321399795 -2.008307004224E-02 6 9.29901118039 2.40045989565 -6.905102121977E-02 1 9.10783205313 3.63690786172 1.54345602431 1 9.11551718001 3.51245649883 -1.77073227684 6 7.41759711942 0.225163913710 8.381954772778E-03 1 7.75164296187 -0.869303738938 1.70652575015 1 7.75918159098 -0.994644284689 -1.60061304784 8 13.7086109469 5.03734953143 -0.135183415616 6 4.67345055952 1.19177646373 -3.443655708758E-02 1 4.36347393069 2.30467041402 -1.73186035831 1 4.35593551642 2.42824308851 1.57363269202 6 2.73979046465 -0.982603093803 4.252073111888E-02 1 3.05064854136 -2.21942573316 -1.56427419659 1 3.04356406783 -2.09606747732 1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 1.08637600396 -1.70287631133 1 -0.357289139629 1.20966193729 1.61602453331 1 -1.33734281519 -1.55130517970 5.488380719168E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide ------------------------------------------------ 6 17.9683881599 -0.297292077107 1.27536857331 6 13.1074956167 0.472207080671 -0.453228519305 6 16.4795229986 -2.34875635930 0.647864180363 6 17.0206311288 2.13415723988 1.11906109396 6 14.5917090576 2.50997045525 0.254800853982 6 14.0483817764 -1.95969349025 -0.221879028027 1 17.2064313178 -4.21995575715 0.891477750401 1 18.1611556206 3.69459587591 1.71498801728 1 13.7960455627 4.36328224970 0.132995603972 1 12.9022737548 -3.57153468866 -0.648336550217 16 21.0720806852 -0.788022958085 2.30216806175 8 21.7468110653 1.31897174983 3.85840867623 8 21.2227851157 -3.34246112332 3.18367143395 7 22.7709964146 -0.611425397042 -0.210357613229 1 23.2419454469 -2.18327885030 -1.14424461781 1 23.6155189330 1.01555484106 -0.663326749229 6 10.4913649952 1.09295624704 -1.36656090135 8 9.63574908684 3.22390935997 -1.10529668512 7 9.16801166064 -0.764206510305 -2.50274977654 1 9.93546118641 -2.44582902745 -2.82792804056 6 6.57752127994 -0.303665749238 -3.38789268707 1 6.51903031968 1.54105374663 -4.26306789461 1 6.14310735722 -1.71711069845 -4.80129056636 6 4.64548715274 -0.408008321980 -1.22155256882 1 4.74877437287 -2.24262500055 -0.310278321539 1 5.15722580814 1.01799017637 0.154647286614 6 1.93810690142 7.135985398158E-02 -2.17182509407 1 1.44127945712 -1.34174421826 -3.57579700736 1 1.85954730813 1.90266503311 -3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 -1.83021062745 0.923376785869 1 -1.89573167271 0.347838378411 -0.695134146311 1 0.441627040364 1.42860412068 1.40142839635 ------------------------------------------------ 6 22.6680723895 1.90654821224 -0.175233423843 6 18.4884955220 -1.16205594440 -2.429127256041E-02 6 20.2830274345 2.97597725977 -0.173664688758 6 22.9799650421 -0.690079737778 -0.155208703405 6 20.8766221032 -2.22748679265 -6.903817015508E-02 6 18.1799381157 1.43239889865 -8.995095951044E-02 1 20.0909835172 4.98607533718 -0.281845826277 1 24.8405388049 -1.47638787062 -0.250726882769 1 21.0517072441 -4.24227251958 -5.371272626672E-02 1 16.3172055949 2.21104024810 -9.170563306660E-02 16 25.3324936821 3.86769909134 -0.204282249485 8 27.3689282330 2.43608131514 -1.26337330774 8 24.5588648910 6.25073611663 -1.22544756910 7 25.9991456410 4.32704671165 2.72259774632 1 25.3514763748 5.86285263510 3.60932921947 1 27.2925393220 3.24838521296 3.57606690334 6 16.2916230451 -2.89540499983 6.179565244721E-02 8 14.0727663740 -1.65964926922 7.242285012777E-02 6 11.7286122162 -3.12131087053 0.129207796905 1 11.6916371367 -4.36862899705 -1.48585984781 1 11.6980732731 -4.25127283221 1.82879684924 6 9.58109439663 -1.20776499556 6.511610601119E-02 1 9.76756866224 -7.139861485579E-02 -1.62808855633 1 9.76377736159 3.875539761361E-02 1.67952200771 8 16.4397777482 -5.17051756224 0.117582340473 6 6.98540215161 -2.52323506137 0.105275847922 1 6.82580399210 -3.67429399210 1.79800400123 1 6.83170567671 -3.78372128405 -1.50810456154 6 4.78702881724 -0.616612023999 3.768403587990E-02 1 4.93145580826 0.642205670084 1.65293843334 1 4.94358499840 0.538158692436 -1.65236070615 6 2.18592326697 -1.92237034783 6.880796847135E-02 1 2.02940000857 -3.07742276656 1.75724206468 1 2.04230086267 -3.18049871305 -1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 1.24972460005 1.62283624211 1 -1.81555813970 -0.949604486281 2.171294654113E-02 1 0.101559387270 1.14661307089 -1.69643499199 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide ------------------------------------------------ 6 17.9683881599 -0.297292077107 1.27536857331 6 13.1074956167 0.472207080671 -0.453228519305 6 16.4795229986 -2.34875635930 0.647864180363 6 17.0206311288 2.13415723988 1.11906109396 6 14.5917090576 2.50997045525 0.254800853982 6 14.0483817764 -1.95969349025 -0.221879028027 1 17.2064313178 -4.21995575715 0.891477750401 1 18.1611556206 3.69459587591 1.71498801728 1 13.7960455627 4.36328224970 0.132995603972 1 12.9022737548 -3.57153468866 -0.648336550217 16 21.0720806852 -0.788022958085 2.30216806175 8 21.7468110653 1.31897174983 3.85840867623 8 21.2227851157 -3.34246112332 3.18367143395 7 22.7709964146 -0.611425397042 -0.210357613229 1 23.2419454469 -2.18327885030 -1.14424461781 1 23.6155189330 1.01555484106 -0.663326749229 6 10.4913649952 1.09295624704 -1.36656090135 8 9.63574908684 3.22390935997 -1.10529668512 7 9.16801166064 -0.764206510305 -2.50274977654 1 9.93546118641 -2.44582902745 -2.82792804056 6 6.57752127994 -0.303665749238 -3.38789268707 1 6.51903031968 1.54105374663 -4.26306789461 1 6.14310735722 -1.71711069845 -4.80129056636 6 4.64548715274 -0.408008321980 -1.22155256882 1 4.74877437287 -2.24262500055 -0.310278321539 1 5.15722580814 1.01799017637 0.154647286614 6 1.93810690142 7.135985398158E-02 -2.17182509407 1 1.44127945712 -1.34174421826 -3.57579700736 1 1.85954730813 1.90266503311 -3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 -1.83021062745 0.923376785869 1 -1.89573167271 0.347838378411 -0.695134146311 1 0.441627040364 1.42860412068 1.40142839635 ------------------------------------------------ 6 12.2734251286 -0.428907088210 3.130417300445E-02 6 7.16512558575 0.605433656762 0.183825719733 6 10.5713708299 -2.37495748345 0.399070980710 6 11.4474717344 2.04279012262 -0.176766780326 6 8.89344536670 2.55194533980 -9.586430260886E-02 6 8.01368059796 -1.85426065145 0.469957115655 1 11.2546633574 -4.25736622768 0.680203900338 1 12.7976479862 3.53900012680 -0.347716707934 1 8.19737481149 4.44495294702 -0.221953717805 1 6.71862383287 -3.36899815646 0.820375895056 16 15.5058925312 -1.09988548484 -0.139878058083 8 16.8322621021 1.12838754297 0.629587328980 8 15.8847585470 -3.49504260894 1.06180455980 7 16.0744500874 -1.48770706952 -3.09912365385 1 16.0632182407 -3.22273094432 -3.84357473139 1 16.7466970697 -5.130502478586E-02 -4.12393032748 6 4.42868586731 1.35626047301 0.252477484269 8 3.82938195486 3.56208325758 0.576406362775 7 2.71818896568 -0.506140006335 -9.280093005674E-02 1 3.27509805498 -2.22468116302 -0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 1.90115557994 0.684101664629 1 -0.922458262213 -1.31460329988 1.26745769935 1 -0.840700153890 -0.156106480461 -1.86072422508 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide ------------------------------------------------ 6 17.9683881599 -0.297292077107 1.27536857331 6 13.1074956167 0.472207080671 -0.453228519305 6 16.4795229986 -2.34875635930 0.647864180363 6 17.0206311288 2.13415723988 1.11906109396 6 14.5917090576 2.50997045525 0.254800853982 6 14.0483817764 -1.95969349025 -0.221879028027 1 17.2064313178 -4.21995575715 0.891477750401 1 18.1611556206 3.69459587591 1.71498801728 1 13.7960455627 4.36328224970 0.132995603972 1 12.9022737548 -3.57153468866 -0.648336550217 16 21.0720806852 -0.788022958085 2.30216806175 8 21.7468110653 1.31897174983 3.85840867623 8 21.2227851157 -3.34246112332 3.18367143395 7 22.7709964146 -0.611425397042 -0.210357613229 1 23.2419454469 -2.18327885030 -1.14424461781 1 23.6155189330 1.01555484106 -0.663326749229 6 10.4913649952 1.09295624704 -1.36656090135 8 9.63574908684 3.22390935997 -1.10529668512 7 9.16801166064 -0.764206510305 -2.50274977654 1 9.93546118641 -2.44582902745 -2.82792804056 6 6.57752127994 -0.303665749238 -3.38789268707 1 6.51903031968 1.54105374663 -4.26306789461 1 6.14310735722 -1.71711069845 -4.80129056636 6 4.64548715274 -0.408008321980 -1.22155256882 1 4.74877437287 -2.24262500055 -0.310278321539 1 5.15722580814 1.01799017637 0.154647286614 6 1.93810690142 7.135985398158E-02 -2.17182509407 1 1.44127945712 -1.34174421826 -3.57579700736 1 1.85954730813 1.90266503311 -3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 -1.83021062745 0.923376785869 1 -1.89573167271 0.347838378411 -0.695134146311 1 0.441627040364 1.42860412068 1.40142839635 ------------------------------------------------ 6 13.4991057155 0.357473590767 -0.713811663238 6 8.48076024177 -0.503164540210 0.416629781928 6 11.8631397624 2.37874757162 -0.473562136431 6 12.6300343135 -2.09621222127 -0.471550344568 6 10.1214739007 -2.51780523488 9.207153793854E-02 6 9.35258280198 1.94453974915 9.759660250163E-02 1 12.5459565012 4.25659611519 -0.784414249864 1 13.8986334476 -3.64265027953 -0.771481617840 1 9.38607236031 -4.39164092392 0.267910179188 1 8.09763925784 3.52677510687 0.221740185849 16 16.6935460046 0.912646421298 -1.35805736093 8 17.6544840841 -1.28364835574 -2.61076734769 8 16.8676643394 3.38662077444 -2.44146121239 7 18.0366372567 1.03700758771 1.36404066179 1 18.3163089429 2.70480564337 2.20359468998 1 18.8696549651 -0.501492704799 2.07432409737 6 5.78952802473 -1.16981982693 1.02631101775 8 5.04502030288 -3.34753860849 0.814795268017 7 4.26922563055 0.704156458501 1.84300557024 1 4.93783248921 2.42933031646 2.15895801923 6 1.59945609057 0.196996634022 2.41475962510 1 1.48860461593 -1.55437999117 3.45794673312 1 0.926691554047 1.71487444573 3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 1.73213272312 -1.08507996536 1 -1.96325947579 -0.346439546764 0.473696207925 1 0.684941159121 -1.55321650721 -1.13775889828 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide ------------------------------------------------ 6 17.9683881599 -0.297292077107 1.27536857331 6 13.1074956167 0.472207080671 -0.453228519305 6 16.4795229986 -2.34875635930 0.647864180363 6 17.0206311288 2.13415723988 1.11906109396 6 14.5917090576 2.50997045525 0.254800853982 6 14.0483817764 -1.95969349025 -0.221879028027 1 17.2064313178 -4.21995575715 0.891477750401 1 18.1611556206 3.69459587591 1.71498801728 1 13.7960455627 4.36328224970 0.132995603972 1 12.9022737548 -3.57153468866 -0.648336550217 16 21.0720806852 -0.788022958085 2.30216806175 8 21.7468110653 1.31897174983 3.85840867623 8 21.2227851157 -3.34246112332 3.18367143395 7 22.7709964146 -0.611425397042 -0.210357613229 1 23.2419454469 -2.18327885030 -1.14424461781 1 23.6155189330 1.01555484106 -0.663326749229 6 10.4913649952 1.09295624704 -1.36656090135 8 9.63574908684 3.22390935997 -1.10529668512 7 9.16801166064 -0.764206510305 -2.50274977654 1 9.93546118641 -2.44582902745 -2.82792804056 6 6.57752127994 -0.303665749238 -3.38789268707 1 6.51903031968 1.54105374663 -4.26306789461 1 6.14310735722 -1.71711069845 -4.80129056636 6 4.64548715274 -0.408008321980 -1.22155256882 1 4.74877437287 -2.24262500055 -0.310278321539 1 5.15722580814 1.01799017637 0.154647286614 6 1.93810690142 7.135985398158E-02 -2.17182509407 1 1.44127945712 -1.34174421826 -3.57579700736 1 1.85954730813 1.90266503311 -3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 -1.83021062745 0.923376785869 1 -1.89573167271 0.347838378411 -0.695134146311 1 0.441627040364 1.42860412068 1.40142839635 ------------------------------------------------ 6 16.3895792015 -0.240489114104 0.536193806704 6 11.2920888992 0.451096170868 -0.326090712247 6 14.8194157858 -2.31710236513 0.332180772567 6 15.4194231089 2.18266311147 0.390199489610 6 12.8721086867 2.51961306172 -4.014493484245E-02 6 12.2689440408 -1.96736827272 -0.104588496551 1 15.5860110543 -4.17358955286 0.566758904214 1 16.6431929451 3.77015985899 0.660657202547 1 12.0602052934 4.36724803133 -0.139997105688 1 11.0701659350 -3.59425419512 -0.203144347206 16 19.6304263353 -0.686794962887 1.01096050120 8 20.5702877543 1.51578267698 2.26860480338 8 19.9498684877 -3.17604514588 2.02400342944 7 20.8410111234 -0.697292062619 -1.77517976903 1 21.1380020961 -2.33317949807 -2.66979007743 1 21.5834993494 0.887153761337 -2.48491793384 6 8.55072081282 1.02933075625 -0.787372576289 8 7.74481307558 3.17762575485 -0.511396947249 7 7.05397038251 -0.888627903207 -1.54546896295 1 7.76234008752 -2.58922394741 -1.90477240945 6 4.34412151772 -0.471267660613 -1.97617977221 1 4.11567022133 1.31564616149 -2.93907082096 1 3.66918162500 -1.96785234101 -3.19655760703 6 2.83322401463 -0.431124044979 0.504279368481 1 3.11335731365 -2.20436047481 1.49304292078 1 3.57440415444 1.07510116992 1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 -1.49697720468 -1.17000519138 1 -0.298267921192 1.78626047228 -0.960482973300 1 -1.05317079190 4.110766263255E-02 1.75580559418 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 20.7991290262 -0.173784562617 0.967430943750 6 15.8208872142 0.493809018334 -0.438608973922 6 19.3262977014 -2.25396162951 0.398797961368 6 19.7814511456 2.23370706654 0.914828584962 6 17.2935652430 2.55864272562 0.212496983470 6 16.8360353316 -1.91574159282 -0.309779724471 1 20.1142731917 -4.10895290340 0.564237775091 1 20.9173363920 3.81385503923 1.46592508350 1 16.4442776257 4.39176179105 0.176203941180 1 15.7049640512 -3.54969525139 -0.689919799457 16 23.9730508168 -0.598035781202 1.78812191880 8 24.6931739735 1.50517256805 3.32907555178 8 24.2435498230 -3.15901002899 2.62060021432 7 25.5033852023 -0.345442345150 -0.824002123731 1 25.9537944258 -1.89269407830 -1.80776047178 1 26.2758209659 1.30859530159 -1.30662787836 6 13.1364605614 1.05636550436 -1.17304363784 8 12.2342106329 3.15067883783 -0.798066467619 7 11.8045299533 -0.811050923403 -2.28280920599 1 12.6074301426 -2.45211797021 -2.71333127911 6 9.14976160456 -0.415244685406 -2.99139374910 1 8.97576642824 1.45199356268 -3.80070440505 1 8.67465458601 -1.79959917137 -4.42036175613 6 7.36177114450 -0.653459671476 -0.714423221458 1 7.91441927685 0.744818521689 0.674421622847 1 7.58140029875 -2.51170351436 0.125580462120 6 4.58736232398 -0.234912622601 -1.48206692652 1 4.39235199539 1.62338779407 -2.33305194788 1 4.04706318167 -1.61793167812 -2.90215796291 6 2.76982943896 -0.437731877559 0.782841872202 1 3.30844365759 0.941827465806 2.20173367200 1 2.95663454185 -2.29447008586 1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 1.86570407362 -0.817672243790 1 -1.25343256978 -0.149457481471 1.61416779080 1 -0.583961285311 -1.38598079582 -1.39357136739 ------------------------------------------------ 6 5.04401540573 5.065785560124E-17 -8.565768416162E-02 6 9.27990108396 9.396277336371E-17 2.94283641892 6 6.11045552513 2.27247789332 0.644730598780 6 6.11045552513 -2.27247789332 0.644730598780 6 8.22908048709 -2.26870089799 2.17155776959 6 8.22908048709 2.26870089799 2.17155776959 1 5.30807717985 4.00751998316 -1.696942951703E-02 1 5.30807717985 -4.00751998316 -1.696942951703E-02 1 9.06580730279 -4.02284755065 2.73828333892 1 9.06580730279 4.02284755065 2.73828333892 1 10.9268739609 1.108006638944E-16 4.12165702328 16 2.32566022845 2.288454205577E-17 -1.95862643609 8 2.24799399215 -2.36940193927 -3.26556451771 8 2.24799399215 2.36940193927 -3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 1.62837329388 0.493096431600 1 -0.817594738155 -1.62837329388 0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 20.7991290262 -0.173784562617 0.967430943750 6 15.8208872142 0.493809018334 -0.438608973922 6 19.3262977014 -2.25396162951 0.398797961368 6 19.7814511456 2.23370706654 0.914828584962 6 17.2935652430 2.55864272562 0.212496983470 6 16.8360353316 -1.91574159282 -0.309779724471 1 20.1142731917 -4.10895290340 0.564237775091 1 20.9173363920 3.81385503923 1.46592508350 1 16.4442776257 4.39176179105 0.176203941180 1 15.7049640512 -3.54969525139 -0.689919799457 16 23.9730508168 -0.598035781202 1.78812191880 8 24.6931739735 1.50517256805 3.32907555178 8 24.2435498230 -3.15901002899 2.62060021432 7 25.5033852023 -0.345442345150 -0.824002123731 1 25.9537944258 -1.89269407830 -1.80776047178 1 26.2758209659 1.30859530159 -1.30662787836 6 13.1364605614 1.05636550436 -1.17304363784 8 12.2342106329 3.15067883783 -0.798066467619 7 11.8045299533 -0.811050923403 -2.28280920599 1 12.6074301426 -2.45211797021 -2.71333127911 6 9.14976160456 -0.415244685406 -2.99139374910 1 8.97576642824 1.45199356268 -3.80070440505 1 8.67465458601 -1.79959917137 -4.42036175613 6 7.36177114450 -0.653459671476 -0.714423221458 1 7.91441927685 0.744818521689 0.674421622847 1 7.58140029875 -2.51170351436 0.125580462120 6 4.58736232398 -0.234912622601 -1.48206692652 1 4.39235199539 1.62338779407 -2.33305194788 1 4.04706318167 -1.61793167812 -2.90215796291 6 2.76982943896 -0.437731877559 0.782841872202 1 3.30844365759 0.941827465806 2.20173367200 1 2.95663454185 -2.29447008586 1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 1.86570407362 -0.817672243790 1 -1.25343256978 -0.149457481471 1.61416779080 1 -0.583961285311 -1.38598079582 -1.39357136739 ------------------------------------------------ 6 8.11007909745 -8.556435899195E-18 -0.100897097935 6 2.86329951331 -2.922536611154E-18 -7.349736953064E-02 6 6.80777063774 -2.26567639154 -0.121232299609 6 6.80777063774 2.26567639154 -0.121232299609 6 4.19897121896 2.25839811190 -9.895828809266E-02 6 4.19897121896 -2.25839811190 -9.895828809266E-02 1 7.83682406515 -4.00573551491 -0.201208431763 1 7.83682406515 4.00573551491 -0.201208431763 1 3.19435364603 4.01778780932 -0.125815986880 1 3.19435364603 -4.01778780932 -0.125815986880 16 11.4059109298 -1.222287901647E-17 -6.903234852523E-02 8 12.2226557176 2.36966347735 -1.09351831769 8 12.2226557176 -2.36966347735 -1.09351831769 7 12.1903871090 -2.070990068685E-17 2.87084462677 1 12.5792272181 -1.62848573258 3.74230825804 1 12.5792272181 1.62848573258 3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 -4.336273740756E-18 1.94437378897 1 -0.758564487207 1.65923610975 -0.927043031519 1 -0.758564487207 -1.65923610975 -0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 20.7991290262 -0.173784562617 0.967430943750 6 15.8208872142 0.493809018334 -0.438608973922 6 19.3262977014 -2.25396162951 0.398797961368 6 19.7814511456 2.23370706654 0.914828584962 6 17.2935652430 2.55864272562 0.212496983470 6 16.8360353316 -1.91574159282 -0.309779724471 1 20.1142731917 -4.10895290340 0.564237775091 1 20.9173363920 3.81385503923 1.46592508350 1 16.4442776257 4.39176179105 0.176203941180 1 15.7049640512 -3.54969525139 -0.689919799457 16 23.9730508168 -0.598035781202 1.78812191880 8 24.6931739735 1.50517256805 3.32907555178 8 24.2435498230 -3.15901002899 2.62060021432 7 25.5033852023 -0.345442345150 -0.824002123731 1 25.9537944258 -1.89269407830 -1.80776047178 1 26.2758209659 1.30859530159 -1.30662787836 6 13.1364605614 1.05636550436 -1.17304363784 8 12.2342106329 3.15067883783 -0.798066467619 7 11.8045299533 -0.811050923403 -2.28280920599 1 12.6074301426 -2.45211797021 -2.71333127911 6 9.14976160456 -0.415244685406 -2.99139374910 1 8.97576642824 1.45199356268 -3.80070440505 1 8.67465458601 -1.79959917137 -4.42036175613 6 7.36177114450 -0.653459671476 -0.714423221458 1 7.91441927685 0.744818521689 0.674421622847 1 7.58140029875 -2.51170351436 0.125580462120 6 4.58736232398 -0.234912622601 -1.48206692652 1 4.39235199539 1.62338779407 -2.33305194788 1 4.04706318167 -1.61793167812 -2.90215796291 6 2.76982943896 -0.437731877559 0.782841872202 1 3.30844365759 0.941827465806 2.20173367200 1 2.95663454185 -2.29447008586 1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 1.86570407362 -0.817672243790 1 -1.25343256978 -0.149457481471 1.61416779080 1 -0.583961285311 -1.38598079582 -1.39357136739 ------------------------------------------------ 6 9.49515614095 1.986230634504E-17 0.330909318726 6 4.54766506655 -1.418482302241E-17 -1.41449070261 6 8.25938767444 2.26624765571 -7.914581718090E-02 6 8.25938767444 -2.26624765571 -7.914581718090E-02 6 5.80247435955 -2.25843288285 -0.956589914867 6 5.80247435955 2.25843288285 -0.956589914867 1 9.20891937494 4.00630432243 0.325801090800 1 9.20891937494 -4.00630432243 0.325801090800 1 4.84800788582 -4.01788928760 -1.27432519389 1 4.84800788582 4.01788928760 -1.27432519389 16 12.6215076530 4.047871219384E-17 1.37421975164 8 13.0597966465 -2.36964987132 2.60912294465 8 13.0597966465 2.36964987132 2.60912294465 7 14.3219760733 5.129921083899E-18 -1.14895839935 1 14.9723537348 1.62851785792 -1.84712919698 1 14.9723537348 -1.62851785792 -1.84712919698 6 1.82011448549 -3.162508651201E-17 -2.28845439361 1 1.46450096442 -1.65231782291 -3.44535547264 1 1.46450096442 1.65231782291 -3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 -1.65855864299 1.15861699465 1 0.312880607522 1.65855864299 1.15861699465 1 -1.95068478995 -1.250653597013E-17 -0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 20.7991290262 -0.173784562617 0.967430943750 6 15.8208872142 0.493809018334 -0.438608973922 6 19.3262977014 -2.25396162951 0.398797961368 6 19.7814511456 2.23370706654 0.914828584962 6 17.2935652430 2.55864272562 0.212496983470 6 16.8360353316 -1.91574159282 -0.309779724471 1 20.1142731917 -4.10895290340 0.564237775091 1 20.9173363920 3.81385503923 1.46592508350 1 16.4442776257 4.39176179105 0.176203941180 1 15.7049640512 -3.54969525139 -0.689919799457 16 23.9730508168 -0.598035781202 1.78812191880 8 24.6931739735 1.50517256805 3.32907555178 8 24.2435498230 -3.15901002899 2.62060021432 7 25.5033852023 -0.345442345150 -0.824002123731 1 25.9537944258 -1.89269407830 -1.80776047178 1 26.2758209659 1.30859530159 -1.30662787836 6 13.1364605614 1.05636550436 -1.17304363784 8 12.2342106329 3.15067883783 -0.798066467619 7 11.8045299533 -0.811050923403 -2.28280920599 1 12.6074301426 -2.45211797021 -2.71333127911 6 9.14976160456 -0.415244685406 -2.99139374910 1 8.97576642824 1.45199356268 -3.80070440505 1 8.67465458601 -1.79959917137 -4.42036175613 6 7.36177114450 -0.653459671476 -0.714423221458 1 7.91441927685 0.744818521689 0.674421622847 1 7.58140029875 -2.51170351436 0.125580462120 6 4.58736232398 -0.234912622601 -1.48206692652 1 4.39235199539 1.62338779407 -2.33305194788 1 4.04706318167 -1.61793167812 -2.90215796291 6 2.76982943896 -0.437731877559 0.782841872202 1 3.30844365759 0.941827465806 2.20173367200 1 2.95663454185 -2.29447008586 1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 1.86570407362 -0.817672243790 1 -1.25343256978 -0.149457481471 1.61416779080 1 -0.583961285311 -1.38598079582 -1.39357136739 ------------------------------------------------ 6 12.3462848294 8.276065163872E-20 0.219629035968 6 7.27697590475 -1.666425406161E-18 -1.13352461031 6 11.0821729337 2.26629036351 -9.228879249722E-02 6 11.0821729337 -2.26629036351 -9.228879249722E-02 6 8.56408820998 -2.25853587292 -0.774654122839 6 8.56408820998 2.25853587292 -0.774654122839 1 12.0604999845 4.00629846428 0.237334526856 1 12.0604999845 -4.00629846428 0.237334526856 1 7.58747623906 -4.01782409206 -1.01660875510 1 7.58747623906 4.01782409206 -1.01660875510 16 15.5446672699 1.106855929460E-18 1.01482146618 8 16.0785895276 -2.36961755701 2.21160547802 8 16.0785895276 2.36961755701 2.21160547802 7 17.0423265084 -2.516184840979E-18 -1.63372129060 1 17.6356158799 1.62852220429 -2.38095755132 1 17.6356158799 -1.62852220429 -2.38095755132 6 4.48973225005 -2.504801715792E-18 -1.78668016231 1 4.03784923022 -1.65364233185 -2.91036104922 1 4.03784923022 1.65364233185 -2.91036104922 6 2.84178543494 8.061817684800E-19 0.630150435706 1 3.30689183592 -1.64977444070 1.75284818480 1 3.30689183592 1.64977444070 1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 -1.66081705451 -1.09295879416 1 -1.12447528227 2.345093436379E-18 1.71233470070 1 -0.500643208584 1.66081705451 -1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide ------------------------------------------------ 6 20.7991290262 -0.173784562617 0.967430943750 6 15.8208872142 0.493809018334 -0.438608973922 6 19.3262977014 -2.25396162951 0.398797961368 6 19.7814511456 2.23370706654 0.914828584962 6 17.2935652430 2.55864272562 0.212496983470 6 16.8360353316 -1.91574159282 -0.309779724471 1 20.1142731917 -4.10895290340 0.564237775091 1 20.9173363920 3.81385503923 1.46592508350 1 16.4442776257 4.39176179105 0.176203941180 1 15.7049640512 -3.54969525139 -0.689919799457 16 23.9730508168 -0.598035781202 1.78812191880 8 24.6931739735 1.50517256805 3.32907555178 8 24.2435498230 -3.15901002899 2.62060021432 7 25.5033852023 -0.345442345150 -0.824002123731 1 25.9537944258 -1.89269407830 -1.80776047178 1 26.2758209659 1.30859530159 -1.30662787836 6 13.1364605614 1.05636550436 -1.17304363784 8 12.2342106329 3.15067883783 -0.798066467619 7 11.8045299533 -0.811050923403 -2.28280920599 1 12.6074301426 -2.45211797021 -2.71333127911 6 9.14976160456 -0.415244685406 -2.99139374910 1 8.97576642824 1.45199356268 -3.80070440505 1 8.67465458601 -1.79959917137 -4.42036175613 6 7.36177114450 -0.653459671476 -0.714423221458 1 7.91441927685 0.744818521689 0.674421622847 1 7.58140029875 -2.51170351436 0.125580462120 6 4.58736232398 -0.234912622601 -1.48206692652 1 4.39235199539 1.62338779407 -2.33305194788 1 4.04706318167 -1.61793167812 -2.90215796291 6 2.76982943896 -0.437731877559 0.782841872202 1 3.30844365759 0.941827465806 2.20173367200 1 2.95663454185 -2.29447008586 1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 1.86570407362 -0.817672243790 1 -1.25343256978 -0.149457481471 1.61416779080 1 -0.583961285311 -1.38598079582 -1.39357136739 ------------------------------------------------ 6 14.1238159113 -1.214503673567E-17 0.678437661017 6 9.44100667607 -7.329180195868E-17 -1.68836769331 6 12.9508759688 2.26624992338 0.112955994743 6 12.9508759688 -2.26624992338 0.112955994743 6 10.6269754875 -2.25848844080 -1.07270695836 6 10.6269754875 2.25848844080 -1.07270695836 1 13.8404298349 4.00630337757 0.636723693997 1 13.8404298349 -4.00630337757 0.636723693997 1 9.72086351835 -4.01774604637 -1.51016368205 1 9.72086351835 4.01774604637 -1.51016368205 16 17.0896510524 2.469474469544E-17 2.11542048055 8 17.3657436482 -2.36962001365 3.39654871916 8 17.3657436482 2.36962001365 3.39654871916 7 19.1011870389 -4.944166890890E-17 -0.167534197609 1 19.8356986120 1.62853921182 -0.776447021723 1 19.8356986120 -1.62853921182 -0.776447021723 6 6.84711615725 -1.041405701228E-16 -2.90008400935 1 6.63682781461 1.65387609096 -4.09248466188 1 6.63682781461 -1.65387609096 -4.09248466188 6 4.74105840551 -3.748430357849E-17 -0.870168924938 1 4.96583213621 1.65095665328 0.325145161310 1 4.96583213621 -1.65095665328 0.325145161310 6 2.07671001580 -6.693452376398E-17 -2.04129882743 1 1.86017810411 1.65244972578 -3.23844110052 1 1.86017810411 -1.65244972578 -3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 1.66008648645 1.19157111842 1 -1.86482588637 -2.150045959666E-17 -0.848869041688 1 0.161115980412 -1.66008648645 1.19157111842 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide --> 6-*- 6 (6)4-Am-Benzenesulfonamide ------------------------------------------------ 6 20.7991290262 -0.173784562617 0.967430943750 6 15.8208872142 0.493809018334 -0.438608973922 6 19.3262977014 -2.25396162951 0.398797961368 6 19.7814511456 2.23370706654 0.914828584962 6 17.2935652430 2.55864272562 0.212496983470 6 16.8360353316 -1.91574159282 -0.309779724471 1 20.1142731917 -4.10895290340 0.564237775091 1 20.9173363920 3.81385503923 1.46592508350 1 16.4442776257 4.39176179105 0.176203941180 1 15.7049640512 -3.54969525139 -0.689919799457 16 23.9730508168 -0.598035781202 1.78812191880 8 24.6931739735 1.50517256805 3.32907555178 8 24.2435498230 -3.15901002899 2.62060021432 7 25.5033852023 -0.345442345150 -0.824002123731 1 25.9537944258 -1.89269407830 -1.80776047178 1 26.2758209659 1.30859530159 -1.30662787836 6 13.1364605614 1.05636550436 -1.17304363784 8 12.2342106329 3.15067883783 -0.798066467619 7 11.8045299533 -0.811050923403 -2.28280920599 1 12.6074301426 -2.45211797021 -2.71333127911 6 9.14976160456 -0.415244685406 -2.99139374910 1 8.97576642824 1.45199356268 -3.80070440505 1 8.67465458601 -1.79959917137 -4.42036175613 6 7.36177114450 -0.653459671476 -0.714423221458 1 7.91441927685 0.744818521689 0.674421622847 1 7.58140029875 -2.51170351436 0.125580462120 6 4.58736232398 -0.234912622601 -1.48206692652 1 4.39235199539 1.62338779407 -2.33305194788 1 4.04706318167 -1.61793167812 -2.90215796291 6 2.76982943896 -0.437731877559 0.782841872202 1 3.30844365759 0.941827465806 2.20173367200 1 2.95663454185 -2.29447008586 1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 1.86570407362 -0.817672243790 1 -1.25343256978 -0.149457481471 1.61416779080 1 -0.583961285311 -1.38598079582 -1.39357136739 ------------------------------------------------ 6 16.9068057473 -0.243177970445 1.059325119563E-16 6 12.0155875324 1.65600530852 7.874007219591E-16 6 15.7028346951 0.252939874960 2.26622819153 6 15.7028346951 0.252939874960 -2.26622819153 6 13.2672687790 1.18799231963 -2.25851621977 6 13.2672687790 1.18799231963 2.25851621977 1 16.6905927723 -4.935959543974E-02 4.00587781127 1 16.6905927723 -4.935959543974E-02 -4.00587781127 1 12.3418929399 1.58361797677 -4.01758126227 1 12.3418929399 1.58361797677 4.01758126227 16 19.9613139677 -1.48061075670 -3.396565444380E-16 8 21.0975033451 -0.827628604396 -2.36965497358 8 21.0975033451 -0.827628604396 2.36965497358 7 19.6140817394 -4.50363661503 -1.520890767875E-15 1 19.6563448244 -5.45686048237 1.62850009449 1 19.6563448244 -5.45686048237 -1.62850009449 6 9.31463490683 2.60509907624 1.124910972962E-15 1 8.98767928251 3.77103356608 1.65353820795 1 8.98767928251 3.77103356608 -1.65353820795 6 7.41754404250 0.378508099205 2.354035425308E-16 1 7.75886683358 -0.788097380015 1.65185162751 1 7.75886683358 -0.788097380015 -1.65185162751 6 4.65268631611 1.28701345345 5.563510498846E-16 1 4.32004736793 2.45842354097 1.65339251008 1 4.32004736793 2.45842354097 -1.65339251008 6 2.76072678768 -0.925807775628 -3.277337893163E-16 1 3.09073708924 -2.09665994535 1.65204135600 1 3.09073708924 -2.09665994535 -1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 1.14184653845 1.66034613480 1 -1.30590878374 -1.57901648689 -6.303379891292E-16 1 -0.377248445559 1.14184653845 -1.66034613480 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide ------------------------------------------------ 6 20.7991290262 -0.173784562617 0.967430943750 6 15.8208872142 0.493809018334 -0.438608973922 6 19.3262977014 -2.25396162951 0.398797961368 6 19.7814511456 2.23370706654 0.914828584962 6 17.2935652430 2.55864272562 0.212496983470 6 16.8360353316 -1.91574159282 -0.309779724471 1 20.1142731917 -4.10895290340 0.564237775091 1 20.9173363920 3.81385503923 1.46592508350 1 16.4442776257 4.39176179105 0.176203941180 1 15.7049640512 -3.54969525139 -0.689919799457 16 23.9730508168 -0.598035781202 1.78812191880 8 24.6931739735 1.50517256805 3.32907555178 8 24.2435498230 -3.15901002899 2.62060021432 7 25.5033852023 -0.345442345150 -0.824002123731 1 25.9537944258 -1.89269407830 -1.80776047178 1 26.2758209659 1.30859530159 -1.30662787836 6 13.1364605614 1.05636550436 -1.17304363784 8 12.2342106329 3.15067883783 -0.798066467619 7 11.8045299533 -0.811050923403 -2.28280920599 1 12.6074301426 -2.45211797021 -2.71333127911 6 9.14976160456 -0.415244685406 -2.99139374910 1 8.97576642824 1.45199356268 -3.80070440505 1 8.67465458601 -1.79959917137 -4.42036175613 6 7.36177114450 -0.653459671476 -0.714423221458 1 7.91441927685 0.744818521689 0.674421622847 1 7.58140029875 -2.51170351436 0.125580462120 6 4.58736232398 -0.234912622601 -1.48206692652 1 4.39235199539 1.62338779407 -2.33305194788 1 4.04706318167 -1.61793167812 -2.90215796291 6 2.76982943896 -0.437731877559 0.782841872202 1 3.30844365759 0.941827465806 2.20173367200 1 2.95663454185 -2.29447008586 1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 1.86570407362 -0.817672243790 1 -1.25343256978 -0.149457481471 1.61416779080 1 -0.583961285311 -1.38598079582 -1.39357136739 ------------------------------------------------ 6 12.0127056291 -0.467319191248 0.111806432972 6 6.97352093600 0.759917308701 4.748266917407E-02 6 10.2217532895 -2.37079219426 0.152809003460 6 11.3033419938 2.04980757052 9.307700569057E-02 6 8.76972951282 2.66113662451 5.092383423729E-02 6 7.68607351310 -1.75397861179 0.112223563757 1 10.8183018721 -4.29997421278 0.259688127616 1 12.7207799808 3.49060386186 0.155267676093 1 8.15790328645 4.58878364063 3.776105769249E-02 1 6.26630294078 -3.18887845369 0.146456888627 16 15.2263520177 -1.25494370756 8.406950718910E-02 8 16.5763713396 0.857729096636 1.09992283794 8 15.4471228542 -3.74394477194 1.12115495093 7 15.9595091226 -1.44681230628 -2.85648386684 1 15.9368640683 -3.12142107712 -3.72820018659 1 16.7225609771 3.868535428217E-02 -3.73740008869 6 4.28110783217 1.51706821998 4.380793909740E-03 8 3.53735775286 3.67127241182 -4.627237069106E-02 8 2.70645115658 -0.479140449071 2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 1.08656629775 1.64022531142 1 -0.866069129495 -1.83937203385 2.906081667564E-02 1 -0.516390062658 1.02531407580 -1.68530034526 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide ------------------------------------------------ 6 20.7991290262 -0.173784562617 0.967430943750 6 15.8208872142 0.493809018334 -0.438608973922 6 19.3262977014 -2.25396162951 0.398797961368 6 19.7814511456 2.23370706654 0.914828584962 6 17.2935652430 2.55864272562 0.212496983470 6 16.8360353316 -1.91574159282 -0.309779724471 1 20.1142731917 -4.10895290340 0.564237775091 1 20.9173363920 3.81385503923 1.46592508350 1 16.4442776257 4.39176179105 0.176203941180 1 15.7049640512 -3.54969525139 -0.689919799457 16 23.9730508168 -0.598035781202 1.78812191880 8 24.6931739735 1.50517256805 3.32907555178 8 24.2435498230 -3.15901002899 2.62060021432 7 25.5033852023 -0.345442345150 -0.824002123731 1 25.9537944258 -1.89269407830 -1.80776047178 1 26.2758209659 1.30859530159 -1.30662787836 6 13.1364605614 1.05636550436 -1.17304363784 8 12.2342106329 3.15067883783 -0.798066467619 7 11.8045299533 -0.811050923403 -2.28280920599 1 12.6074301426 -2.45211797021 -2.71333127911 6 9.14976160456 -0.415244685406 -2.99139374910 1 8.97576642824 1.45199356268 -3.80070440505 1 8.67465458601 -1.79959917137 -4.42036175613 6 7.36177114450 -0.653459671476 -0.714423221458 1 7.91441927685 0.744818521689 0.674421622847 1 7.58140029875 -2.51170351436 0.125580462120 6 4.58736232398 -0.234912622601 -1.48206692652 1 4.39235199539 1.62338779407 -2.33305194788 1 4.04706318167 -1.61793167812 -2.90215796291 6 2.76982943896 -0.437731877559 0.782841872202 1 3.30844365759 0.941827465806 2.20173367200 1 2.95663454185 -2.29447008586 1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 1.86570407362 -0.817672243790 1 -1.25343256978 -0.149457481471 1.61416779080 1 -0.583961285311 -1.38598079582 -1.39357136739 ------------------------------------------------ 6 9.25649635012 1.80846527957 9.292601243073E-02 6 4.49653007628 -0.252386364964 5.563329730033E-02 6 8.97661510100 -0.790299344150 0.119114341606 6 7.17209172246 3.38798511785 0.102169685012 6 4.78224687467 2.34735739516 7.329320901833E-02 6 6.58177520099 -1.82758693433 9.237860791359E-02 1 10.6170947155 -1.96958871556 0.204027651419 1 7.43391914542 5.39176377246 0.175377186833 1 3.13114524169 3.51529832560 8.157662744579E-02 1 6.31465409765 -3.82860234946 0.115984151186 16 12.2941652834 3.11903583590 4.829871274683E-02 8 12.1064542125 5.60990047425 1.08680327140 8 13.9812398042 1.25851015147 1.05437846650 7 12.9682120575 3.43319864541 -2.89600901229 1 13.9516579638 2.09107340260 -3.78830088073 1 12.6725674087 5.08557002470 -3.76041888038 6 1.89086902464 -1.27466774715 2.847109335790E-02 8 1.83775228380 -3.81438709360 3.668617006514E-02 6 -0.611334772331 -5.09553939230 2.759474634627E-02 1 -1.67193584771 -4.49484752416 1.66284241111 1 -1.63290597596 -4.54650767572 -1.65033477868 6 -2.628882640013E-02 -7.90958602311 7.826139859268E-02 1 1.04055063371 -8.37091267308 1.76016592182 1 1.08118978950 -8.42305482102 -1.56183569609 1 -1.76381943467 -8.99262746496 7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide ------------------------------------------------ 6 20.7991290262 -0.173784562617 0.967430943750 6 15.8208872142 0.493809018334 -0.438608973922 6 19.3262977014 -2.25396162951 0.398797961368 6 19.7814511456 2.23370706654 0.914828584962 6 17.2935652430 2.55864272562 0.212496983470 6 16.8360353316 -1.91574159282 -0.309779724471 1 20.1142731917 -4.10895290340 0.564237775091 1 20.9173363920 3.81385503923 1.46592508350 1 16.4442776257 4.39176179105 0.176203941180 1 15.7049640512 -3.54969525139 -0.689919799457 16 23.9730508168 -0.598035781202 1.78812191880 8 24.6931739735 1.50517256805 3.32907555178 8 24.2435498230 -3.15901002899 2.62060021432 7 25.5033852023 -0.345442345150 -0.824002123731 1 25.9537944258 -1.89269407830 -1.80776047178 1 26.2758209659 1.30859530159 -1.30662787836 6 13.1364605614 1.05636550436 -1.17304363784 8 12.2342106329 3.15067883783 -0.798066467619 7 11.8045299533 -0.811050923403 -2.28280920599 1 12.6074301426 -2.45211797021 -2.71333127911 6 9.14976160456 -0.415244685406 -2.99139374910 1 8.97576642824 1.45199356268 -3.80070440505 1 8.67465458601 -1.79959917137 -4.42036175613 6 7.36177114450 -0.653459671476 -0.714423221458 1 7.91441927685 0.744818521689 0.674421622847 1 7.58140029875 -2.51170351436 0.125580462120 6 4.58736232398 -0.234912622601 -1.48206692652 1 4.39235199539 1.62338779407 -2.33305194788 1 4.04706318167 -1.61793167812 -2.90215796291 6 2.76982943896 -0.437731877559 0.782841872202 1 3.30844365759 0.941827465806 2.20173367200 1 2.95663454185 -2.29447008586 1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 1.86570407362 -0.817672243790 1 -1.25343256978 -0.149457481471 1.61416779080 1 -0.583961285311 -1.38598079582 -1.39357136739 ------------------------------------------------ 6 16.2691799750 -0.861123974289 0.131186883282 6 11.5121945621 1.20427204035 2.028457912686E-02 6 14.1804039648 -2.43212467262 0.170027955664 6 15.9979271981 1.73975638478 9.085209513991E-02 6 13.6053532164 2.77244247494 2.499575182470E-02 6 11.7868447762 -1.39343219905 0.106330752902 1 14.4397111888 -4.43379554927 0.293347888880 1 17.6391790059 2.91927288464 0.155077522013 1 13.3297352136 4.77580185192 -5.280276989638E-03 1 10.1431555114 -2.56525744119 0.138937307621 16 19.3020004227 -2.18348775204 0.134299477251 8 20.9842079738 -0.325733494236 1.15270139607 8 19.0886880558 -4.66812122535 1.18366001761 7 20.0154046741 -2.51391842666 -2.79896253743 1 19.7140075146 -4.16469009410 -3.66423830225 1 21.0264342221 -1.18451012097 -3.67951649332 6 8.98524438142 2.40710164988 -4.683800638368E-02 8 8.62404088094 4.65762117820 -0.119145313158 8 7.09521260910 0.710056286046 -2.027193485411E-02 6 4.48588899364 1.61442012240 -6.043557639931E-02 1 4.18402977757 2.83160191470 1.54997335048 1 4.18851510037 2.69852442655 -1.76429702456 6 2.81774658260 -0.727728392362 3.131445935321E-02 1 3.26511634385 -1.91346199534 -1.57535965464 1 3.26258594609 -1.78075553052 1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 -1.67378352623 6.601676572586E-02 1 -0.468128283684 1.03824231167 -1.70442814436 1 -0.470300494955 1.17038221894 1.61582801791 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide ------------------------------------------------ 6 20.7991290262 -0.173784562617 0.967430943750 6 15.8208872142 0.493809018334 -0.438608973922 6 19.3262977014 -2.25396162951 0.398797961368 6 19.7814511456 2.23370706654 0.914828584962 6 17.2935652430 2.55864272562 0.212496983470 6 16.8360353316 -1.91574159282 -0.309779724471 1 20.1142731917 -4.10895290340 0.564237775091 1 20.9173363920 3.81385503923 1.46592508350 1 16.4442776257 4.39176179105 0.176203941180 1 15.7049640512 -3.54969525139 -0.689919799457 16 23.9730508168 -0.598035781202 1.78812191880 8 24.6931739735 1.50517256805 3.32907555178 8 24.2435498230 -3.15901002899 2.62060021432 7 25.5033852023 -0.345442345150 -0.824002123731 1 25.9537944258 -1.89269407830 -1.80776047178 1 26.2758209659 1.30859530159 -1.30662787836 6 13.1364605614 1.05636550436 -1.17304363784 8 12.2342106329 3.15067883783 -0.798066467619 7 11.8045299533 -0.811050923403 -2.28280920599 1 12.6074301426 -2.45211797021 -2.71333127911 6 9.14976160456 -0.415244685406 -2.99139374910 1 8.97576642824 1.45199356268 -3.80070440505 1 8.67465458601 -1.79959917137 -4.42036175613 6 7.36177114450 -0.653459671476 -0.714423221458 1 7.91441927685 0.744818521689 0.674421622847 1 7.58140029875 -2.51170351436 0.125580462120 6 4.58736232398 -0.234912622601 -1.48206692652 1 4.39235199539 1.62338779407 -2.33305194788 1 4.04706318167 -1.61793167812 -2.90215796291 6 2.76982943896 -0.437731877559 0.782841872202 1 3.30844365759 0.941827465806 2.20173367200 1 2.95663454185 -2.29447008586 1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 1.86570407362 -0.817672243790 1 -1.25343256978 -0.149457481471 1.61416779080 1 -0.583961285311 -1.38598079582 -1.39357136739 ------------------------------------------------ 6 17.9684279399 1.54301176377 -0.149693423226 6 13.6326730870 -1.30132688262 -2.138183749743E-02 6 15.6426740929 2.73563073422 -0.189786012449 6 18.1438750705 -1.06604052147 -9.962044033802E-02 6 15.9621451629 -2.49057033907 -2.523220981312E-02 6 13.4610204855 1.30509459913 -0.117287370756 1 15.5573431966 4.75166639252 -0.321088296824 1 19.9617870444 -1.94922244854 -0.163264253275 1 16.0314585342 -4.51140907128 1.239461845501E-02 1 11.6418341179 2.17978662007 -0.150641401029 16 20.7317846783 3.36204210634 -0.163987391502 8 22.7051478607 1.81249173186 -1.17548489088 8 20.0987699462 5.76903704384 -1.22508771415 7 21.3801516200 3.82469400623 2.76690153273 1 20.8048852121 5.40607792939 3.62309870587 1 22.6005200302 2.68935847433 3.65393602741 6 11.3472294671 -2.91626214998 5.651370344789E-02 8 9.19665552725 -1.56522590120 3.245613991045E-02 6 6.77856962350 -2.90016097853 8.749655544515E-02 1 6.67652246165 -4.14495637472 -1.52674105702 1 6.68550306343 -4.02593032336 1.78755983989 6 4.73704841955 -0.874096953142 1.969560988444E-02 1 4.98065500262 0.246176556333 -1.67702200013 1 4.98893864106 0.366141886882 1.62964287548 8 11.3745245833 -5.19521098803 0.135688264964 6 2.07271853085 -2.04310727132 6.880948422220E-02 1 1.85408721205 -3.17805095775 1.76397604453 1 1.84594669663 -3.29720682002 -1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 1.24962477650 1.61609500694 1 -1.86381093455 -0.848750824383 3.507941596838E-02 1 0.158113135931 1.12952769314 -1.70286806009 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide --> 11-*- 11 (11)4-COOAm-benzenesulfonamide ------------------------------------------------ 6 20.7991290262 -0.173784562617 0.967430943750 6 15.8208872142 0.493809018334 -0.438608973922 6 19.3262977014 -2.25396162951 0.398797961368 6 19.7814511456 2.23370706654 0.914828584962 6 17.2935652430 2.55864272562 0.212496983470 6 16.8360353316 -1.91574159282 -0.309779724471 1 20.1142731917 -4.10895290340 0.564237775091 1 20.9173363920 3.81385503923 1.46592508350 1 16.4442776257 4.39176179105 0.176203941180 1 15.7049640512 -3.54969525139 -0.689919799457 16 23.9730508168 -0.598035781202 1.78812191880 8 24.6931739735 1.50517256805 3.32907555178 8 24.2435498230 -3.15901002899 2.62060021432 7 25.5033852023 -0.345442345150 -0.824002123731 1 25.9537944258 -1.89269407830 -1.80776047178 1 26.2758209659 1.30859530159 -1.30662787836 6 13.1364605614 1.05636550436 -1.17304363784 8 12.2342106329 3.15067883783 -0.798066467619 7 11.8045299533 -0.811050923403 -2.28280920599 1 12.6074301426 -2.45211797021 -2.71333127911 6 9.14976160456 -0.415244685406 -2.99139374910 1 8.97576642824 1.45199356268 -3.80070440505 1 8.67465458601 -1.79959917137 -4.42036175613 6 7.36177114450 -0.653459671476 -0.714423221458 1 7.91441927685 0.744818521689 0.674421622847 1 7.58140029875 -2.51170351436 0.125580462120 6 4.58736232398 -0.234912622601 -1.48206692652 1 4.39235199539 1.62338779407 -2.33305194788 1 4.04706318167 -1.61793167812 -2.90215796291 6 2.76982943896 -0.437731877559 0.782841872202 1 3.30844365759 0.941827465806 2.20173367200 1 2.95663454185 -2.29447008586 1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 1.86570407362 -0.817672243790 1 -1.25343256978 -0.149457481471 1.61416779080 1 -0.583961285311 -1.38598079582 -1.39357136739 ------------------------------------------------ 6 20.7940103927 -1.18292577645 0.135748344237 6 16.2553748543 1.32561650568 1.898358840442E-02 6 18.5653398548 -2.54782901355 0.185991958815 6 20.7714899222 1.43194635192 8.119491494154E-02 6 18.4881809521 2.68752983337 1.268047644927E-02 6 16.2816292072 -1.28621992460 0.119293218161 1 18.6330826801 -4.56430368467 0.320494210942 1 22.5176825572 2.45010794741 0.136961916771 1 18.4044365481 4.70774521966 -2.810073710092E-02 1 14.5338256999 -2.29576106594 0.160475355254 16 23.6871881374 -2.78742501086 0.142668366748 8 25.5411157417 -1.09148804236 1.14525598407 8 23.2417958312 -5.23383132605 1.20898679380 7 24.3589360690 -3.20370291968 -2.78991772878 1 23.9091509095 -4.82809819444 -3.64057141352 1 25.4806790933 -1.97605258766 -3.68426382740 6 13.8540126043 2.76296861394 -5.303453877654E-02 8 11.8120703378 1.25321399795 -2.008307004224E-02 6 9.29901118039 2.40045989565 -6.905102121977E-02 1 9.10783205313 3.63690786172 1.54345602431 1 9.11551718001 3.51245649883 -1.77073227684 6 7.41759711942 0.225163913710 8.381954772778E-03 1 7.75164296187 -0.869303738938 1.70652575015 1 7.75918159098 -0.994644284689 -1.60061304784 8 13.7086109469 5.03734953143 -0.135183415616 6 4.67345055952 1.19177646373 -3.443655708758E-02 1 4.36347393069 2.30467041402 -1.73186035831 1 4.35593551642 2.42824308851 1.57363269202 6 2.73979046465 -0.982603093803 4.252073111888E-02 1 3.05064854136 -2.21942573316 -1.56427419659 1 3.04356406783 -2.09606747732 1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 1.08637600396 -1.70287631133 1 -0.357289139629 1.20966193729 1.61602453331 1 -1.33734281519 -1.55130517970 5.488380719168E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide ------------------------------------------------ 6 20.7991290262 -0.173784562617 0.967430943750 6 15.8208872142 0.493809018334 -0.438608973922 6 19.3262977014 -2.25396162951 0.398797961368 6 19.7814511456 2.23370706654 0.914828584962 6 17.2935652430 2.55864272562 0.212496983470 6 16.8360353316 -1.91574159282 -0.309779724471 1 20.1142731917 -4.10895290340 0.564237775091 1 20.9173363920 3.81385503923 1.46592508350 1 16.4442776257 4.39176179105 0.176203941180 1 15.7049640512 -3.54969525139 -0.689919799457 16 23.9730508168 -0.598035781202 1.78812191880 8 24.6931739735 1.50517256805 3.32907555178 8 24.2435498230 -3.15901002899 2.62060021432 7 25.5033852023 -0.345442345150 -0.824002123731 1 25.9537944258 -1.89269407830 -1.80776047178 1 26.2758209659 1.30859530159 -1.30662787836 6 13.1364605614 1.05636550436 -1.17304363784 8 12.2342106329 3.15067883783 -0.798066467619 7 11.8045299533 -0.811050923403 -2.28280920599 1 12.6074301426 -2.45211797021 -2.71333127911 6 9.14976160456 -0.415244685406 -2.99139374910 1 8.97576642824 1.45199356268 -3.80070440505 1 8.67465458601 -1.79959917137 -4.42036175613 6 7.36177114450 -0.653459671476 -0.714423221458 1 7.91441927685 0.744818521689 0.674421622847 1 7.58140029875 -2.51170351436 0.125580462120 6 4.58736232398 -0.234912622601 -1.48206692652 1 4.39235199539 1.62338779407 -2.33305194788 1 4.04706318167 -1.61793167812 -2.90215796291 6 2.76982943896 -0.437731877559 0.782841872202 1 3.30844365759 0.941827465806 2.20173367200 1 2.95663454185 -2.29447008586 1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 1.86570407362 -0.817672243790 1 -1.25343256978 -0.149457481471 1.61416779080 1 -0.583961285311 -1.38598079582 -1.39357136739 ------------------------------------------------ 6 22.6680723895 -1.90654821224 0.175233423843 6 18.4884955220 1.16205594440 2.429127256041E-02 6 20.2830274345 -2.97597725977 0.173664688758 6 22.9799650421 0.690079737778 0.155208703405 6 20.8766221032 2.22748679265 6.903817015508E-02 6 18.1799381157 -1.43239889865 8.995095951044E-02 1 20.0909835172 -4.98607533718 0.281845826277 1 24.8405388049 1.47638787062 0.250726882769 1 21.0517072441 4.24227251958 5.371272626672E-02 1 16.3172055949 -2.21104024810 9.170563306660E-02 16 25.3324936821 -3.86769909134 0.204282249485 8 27.3689282330 -2.43608131514 1.26337330774 8 24.5588648910 -6.25073611663 1.22544756910 7 25.9991456410 -4.32704671165 -2.72259774632 1 25.3514763748 -5.86285263510 -3.60932921947 1 27.2925393220 -3.24838521296 -3.57606690334 6 16.2916230451 2.89540499983 -6.179565244721E-02 8 14.0727663740 1.65964926922 -7.242285012777E-02 6 11.7286122162 3.12131087053 -0.129207796905 1 11.6916371367 4.36862899705 1.48585984781 1 11.6980732731 4.25127283221 -1.82879684924 6 9.58109439663 1.20776499556 -6.511610601119E-02 1 9.76756866224 7.139861485579E-02 1.62808855633 1 9.76377736159 -3.875539761361E-02 -1.67952200771 8 16.4397777482 5.17051756224 -0.117582340473 6 6.98540215161 2.52323506137 -0.105275847922 1 6.82580399210 3.67429399210 -1.79800400123 1 6.83170567671 3.78372128405 1.50810456154 6 4.78702881724 0.616612023999 -3.768403587990E-02 1 4.93145580826 -0.642205670084 -1.65293843334 1 4.94358499840 -0.538158692436 1.65236070615 6 2.18592326697 1.92237034783 -6.880796847135E-02 1 2.02940000857 3.07742276656 -1.75724206468 1 2.04230086267 3.18049871305 1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 -1.24972460005 -1.62283624211 1 -1.81555813970 0.949604486281 -2.171294654113E-02 1 0.101559387270 -1.14661307089 1.69643499199 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide ------------------------------------------------ 6 20.7991290262 -0.173784562617 0.967430943750 6 15.8208872142 0.493809018334 -0.438608973922 6 19.3262977014 -2.25396162951 0.398797961368 6 19.7814511456 2.23370706654 0.914828584962 6 17.2935652430 2.55864272562 0.212496983470 6 16.8360353316 -1.91574159282 -0.309779724471 1 20.1142731917 -4.10895290340 0.564237775091 1 20.9173363920 3.81385503923 1.46592508350 1 16.4442776257 4.39176179105 0.176203941180 1 15.7049640512 -3.54969525139 -0.689919799457 16 23.9730508168 -0.598035781202 1.78812191880 8 24.6931739735 1.50517256805 3.32907555178 8 24.2435498230 -3.15901002899 2.62060021432 7 25.5033852023 -0.345442345150 -0.824002123731 1 25.9537944258 -1.89269407830 -1.80776047178 1 26.2758209659 1.30859530159 -1.30662787836 6 13.1364605614 1.05636550436 -1.17304363784 8 12.2342106329 3.15067883783 -0.798066467619 7 11.8045299533 -0.811050923403 -2.28280920599 1 12.6074301426 -2.45211797021 -2.71333127911 6 9.14976160456 -0.415244685406 -2.99139374910 1 8.97576642824 1.45199356268 -3.80070440505 1 8.67465458601 -1.79959917137 -4.42036175613 6 7.36177114450 -0.653459671476 -0.714423221458 1 7.91441927685 0.744818521689 0.674421622847 1 7.58140029875 -2.51170351436 0.125580462120 6 4.58736232398 -0.234912622601 -1.48206692652 1 4.39235199539 1.62338779407 -2.33305194788 1 4.04706318167 -1.61793167812 -2.90215796291 6 2.76982943896 -0.437731877559 0.782841872202 1 3.30844365759 0.941827465806 2.20173367200 1 2.95663454185 -2.29447008586 1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 1.86570407362 -0.817672243790 1 -1.25343256978 -0.149457481471 1.61416779080 1 -0.583961285311 -1.38598079582 -1.39357136739 ------------------------------------------------ 6 12.2734251286 -0.428907088210 3.130417300445E-02 6 7.16512558575 0.605433656762 0.183825719733 6 10.5713708299 -2.37495748345 0.399070980710 6 11.4474717344 2.04279012262 -0.176766780326 6 8.89344536670 2.55194533980 -9.586430260886E-02 6 8.01368059796 -1.85426065145 0.469957115655 1 11.2546633574 -4.25736622768 0.680203900338 1 12.7976479862 3.53900012680 -0.347716707934 1 8.19737481149 4.44495294702 -0.221953717805 1 6.71862383287 -3.36899815646 0.820375895056 16 15.5058925312 -1.09988548484 -0.139878058083 8 16.8322621021 1.12838754297 0.629587328980 8 15.8847585470 -3.49504260894 1.06180455980 7 16.0744500874 -1.48770706952 -3.09912365385 1 16.0632182407 -3.22273094432 -3.84357473139 1 16.7466970697 -5.130502478586E-02 -4.12393032748 6 4.42868586731 1.35626047301 0.252477484269 8 3.82938195486 3.56208325758 0.576406362775 7 2.71818896568 -0.506140006335 -9.280093005674E-02 1 3.27509805498 -2.22468116302 -0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 1.90115557994 0.684101664629 1 -0.922458262213 -1.31460329988 1.26745769935 1 -0.840700153890 -0.156106480461 -1.86072422508 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide ------------------------------------------------ 6 20.7991290262 -0.173784562617 0.967430943750 6 15.8208872142 0.493809018334 -0.438608973922 6 19.3262977014 -2.25396162951 0.398797961368 6 19.7814511456 2.23370706654 0.914828584962 6 17.2935652430 2.55864272562 0.212496983470 6 16.8360353316 -1.91574159282 -0.309779724471 1 20.1142731917 -4.10895290340 0.564237775091 1 20.9173363920 3.81385503923 1.46592508350 1 16.4442776257 4.39176179105 0.176203941180 1 15.7049640512 -3.54969525139 -0.689919799457 16 23.9730508168 -0.598035781202 1.78812191880 8 24.6931739735 1.50517256805 3.32907555178 8 24.2435498230 -3.15901002899 2.62060021432 7 25.5033852023 -0.345442345150 -0.824002123731 1 25.9537944258 -1.89269407830 -1.80776047178 1 26.2758209659 1.30859530159 -1.30662787836 6 13.1364605614 1.05636550436 -1.17304363784 8 12.2342106329 3.15067883783 -0.798066467619 7 11.8045299533 -0.811050923403 -2.28280920599 1 12.6074301426 -2.45211797021 -2.71333127911 6 9.14976160456 -0.415244685406 -2.99139374910 1 8.97576642824 1.45199356268 -3.80070440505 1 8.67465458601 -1.79959917137 -4.42036175613 6 7.36177114450 -0.653459671476 -0.714423221458 1 7.91441927685 0.744818521689 0.674421622847 1 7.58140029875 -2.51170351436 0.125580462120 6 4.58736232398 -0.234912622601 -1.48206692652 1 4.39235199539 1.62338779407 -2.33305194788 1 4.04706318167 -1.61793167812 -2.90215796291 6 2.76982943896 -0.437731877559 0.782841872202 1 3.30844365759 0.941827465806 2.20173367200 1 2.95663454185 -2.29447008586 1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 1.86570407362 -0.817672243790 1 -1.25343256978 -0.149457481471 1.61416779080 1 -0.583961285311 -1.38598079582 -1.39357136739 ------------------------------------------------ 6 13.4991057155 -0.357473590767 0.713811663238 6 8.48076024177 0.503164540210 -0.416629781928 6 11.8631397624 -2.37874757162 0.473562136431 6 12.6300343135 2.09621222127 0.471550344568 6 10.1214739007 2.51780523488 -9.207153793854E-02 6 9.35258280198 -1.94453974915 -9.759660250163E-02 1 12.5459565012 -4.25659611519 0.784414249864 1 13.8986334476 3.64265027953 0.771481617840 1 9.38607236031 4.39164092392 -0.267910179188 1 8.09763925784 -3.52677510687 -0.221740185849 16 16.6935460046 -0.912646421298 1.35805736093 8 17.6544840841 1.28364835574 2.61076734769 8 16.8676643394 -3.38662077444 2.44146121239 7 18.0366372567 -1.03700758771 -1.36404066179 1 18.3163089429 -2.70480564337 -2.20359468998 1 18.8696549651 0.501492704799 -2.07432409737 6 5.78952802473 1.16981982693 -1.02631101775 8 5.04502030288 3.34753860849 -0.814795268017 7 4.26922563055 -0.704156458501 -1.84300557024 1 4.93783248921 -2.42933031646 -2.15895801923 6 1.59945609057 -0.196996634022 -2.41475962510 1 1.48860461593 1.55437999117 -3.45794673312 1 0.926691554047 -1.71487444573 -3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 -1.73213272312 1.08507996536 1 -1.96325947579 0.346439546764 -0.473696207925 1 0.684941159121 1.55321650721 1.13775889828 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide ------------------------------------------------ 6 20.7991290262 -0.173784562617 0.967430943750 6 15.8208872142 0.493809018334 -0.438608973922 6 19.3262977014 -2.25396162951 0.398797961368 6 19.7814511456 2.23370706654 0.914828584962 6 17.2935652430 2.55864272562 0.212496983470 6 16.8360353316 -1.91574159282 -0.309779724471 1 20.1142731917 -4.10895290340 0.564237775091 1 20.9173363920 3.81385503923 1.46592508350 1 16.4442776257 4.39176179105 0.176203941180 1 15.7049640512 -3.54969525139 -0.689919799457 16 23.9730508168 -0.598035781202 1.78812191880 8 24.6931739735 1.50517256805 3.32907555178 8 24.2435498230 -3.15901002899 2.62060021432 7 25.5033852023 -0.345442345150 -0.824002123731 1 25.9537944258 -1.89269407830 -1.80776047178 1 26.2758209659 1.30859530159 -1.30662787836 6 13.1364605614 1.05636550436 -1.17304363784 8 12.2342106329 3.15067883783 -0.798066467619 7 11.8045299533 -0.811050923403 -2.28280920599 1 12.6074301426 -2.45211797021 -2.71333127911 6 9.14976160456 -0.415244685406 -2.99139374910 1 8.97576642824 1.45199356268 -3.80070440505 1 8.67465458601 -1.79959917137 -4.42036175613 6 7.36177114450 -0.653459671476 -0.714423221458 1 7.91441927685 0.744818521689 0.674421622847 1 7.58140029875 -2.51170351436 0.125580462120 6 4.58736232398 -0.234912622601 -1.48206692652 1 4.39235199539 1.62338779407 -2.33305194788 1 4.04706318167 -1.61793167812 -2.90215796291 6 2.76982943896 -0.437731877559 0.782841872202 1 3.30844365759 0.941827465806 2.20173367200 1 2.95663454185 -2.29447008586 1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 1.86570407362 -0.817672243790 1 -1.25343256978 -0.149457481471 1.61416779080 1 -0.583961285311 -1.38598079582 -1.39357136739 ------------------------------------------------ 6 16.3895792015 0.240489114104 -0.536193806704 6 11.2920888992 -0.451096170868 0.326090712247 6 14.8194157858 2.31710236513 -0.332180772567 6 15.4194231089 -2.18266311147 -0.390199489610 6 12.8721086867 -2.51961306172 4.014493484245E-02 6 12.2689440408 1.96736827272 0.104588496551 1 15.5860110543 4.17358955286 -0.566758904214 1 16.6431929451 -3.77015985899 -0.660657202547 1 12.0602052934 -4.36724803133 0.139997105688 1 11.0701659350 3.59425419512 0.203144347206 16 19.6304263353 0.686794962887 -1.01096050120 8 20.5702877543 -1.51578267698 -2.26860480338 8 19.9498684877 3.17604514588 -2.02400342944 7 20.8410111234 0.697292062619 1.77517976903 1 21.1380020961 2.33317949807 2.66979007743 1 21.5834993494 -0.887153761337 2.48491793384 6 8.55072081282 -1.02933075625 0.787372576289 8 7.74481307558 -3.17762575485 0.511396947249 7 7.05397038251 0.888627903207 1.54546896295 1 7.76234008752 2.58922394741 1.90477240945 6 4.34412151772 0.471267660613 1.97617977221 1 4.11567022133 -1.31564616149 2.93907082096 1 3.66918162500 1.96785234101 3.19655760703 6 2.83322401463 0.431124044979 -0.504279368481 1 3.11335731365 2.20436047481 -1.49304292078 1 3.57440415444 -1.07510116992 -1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 1.49697720468 1.17000519138 1 -0.298267921192 -1.78626047228 0.960482973300 1 -1.05317079190 -4.110766263255E-02 -1.75580559418 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide ------------------------------------------------ 6 20.7991290262 -0.173784562617 0.967430943750 6 15.8208872142 0.493809018334 -0.438608973922 6 19.3262977014 -2.25396162951 0.398797961368 6 19.7814511456 2.23370706654 0.914828584962 6 17.2935652430 2.55864272562 0.212496983470 6 16.8360353316 -1.91574159282 -0.309779724471 1 20.1142731917 -4.10895290340 0.564237775091 1 20.9173363920 3.81385503923 1.46592508350 1 16.4442776257 4.39176179105 0.176203941180 1 15.7049640512 -3.54969525139 -0.689919799457 16 23.9730508168 -0.598035781202 1.78812191880 8 24.6931739735 1.50517256805 3.32907555178 8 24.2435498230 -3.15901002899 2.62060021432 7 25.5033852023 -0.345442345150 -0.824002123731 1 25.9537944258 -1.89269407830 -1.80776047178 1 26.2758209659 1.30859530159 -1.30662787836 6 13.1364605614 1.05636550436 -1.17304363784 8 12.2342106329 3.15067883783 -0.798066467619 7 11.8045299533 -0.811050923403 -2.28280920599 1 12.6074301426 -2.45211797021 -2.71333127911 6 9.14976160456 -0.415244685406 -2.99139374910 1 8.97576642824 1.45199356268 -3.80070440505 1 8.67465458601 -1.79959917137 -4.42036175613 6 7.36177114450 -0.653459671476 -0.714423221458 1 7.91441927685 0.744818521689 0.674421622847 1 7.58140029875 -2.51170351436 0.125580462120 6 4.58736232398 -0.234912622601 -1.48206692652 1 4.39235199539 1.62338779407 -2.33305194788 1 4.04706318167 -1.61793167812 -2.90215796291 6 2.76982943896 -0.437731877559 0.782841872202 1 3.30844365759 0.941827465806 2.20173367200 1 2.95663454185 -2.29447008586 1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 1.86570407362 -0.817672243790 1 -1.25343256978 -0.149457481471 1.61416779080 1 -0.583961285311 -1.38598079582 -1.39357136739 ------------------------------------------------ 6 17.9683881599 -0.297292077107 1.27536857331 6 13.1074956167 0.472207080671 -0.453228519305 6 16.4795229986 -2.34875635930 0.647864180363 6 17.0206311288 2.13415723988 1.11906109396 6 14.5917090576 2.50997045525 0.254800853982 6 14.0483817764 -1.95969349025 -0.221879028027 1 17.2064313178 -4.21995575715 0.891477750401 1 18.1611556206 3.69459587591 1.71498801728 1 13.7960455627 4.36328224970 0.132995603972 1 12.9022737548 -3.57153468866 -0.648336550217 16 21.0720806852 -0.788022958085 2.30216806175 8 21.7468110653 1.31897174983 3.85840867623 8 21.2227851157 -3.34246112332 3.18367143395 7 22.7709964146 -0.611425397042 -0.210357613229 1 23.2419454469 -2.18327885030 -1.14424461781 1 23.6155189330 1.01555484106 -0.663326749229 6 10.4913649952 1.09295624704 -1.36656090135 8 9.63574908684 3.22390935997 -1.10529668512 7 9.16801166064 -0.764206510305 -2.50274977654 1 9.93546118641 -2.44582902745 -2.82792804056 6 6.57752127994 -0.303665749238 -3.38789268707 1 6.51903031968 1.54105374663 -4.26306789461 1 6.14310735722 -1.71711069845 -4.80129056636 6 4.64548715274 -0.408008321980 -1.22155256882 1 4.74877437287 -2.24262500055 -0.310278321539 1 5.15722580814 1.01799017637 0.154647286614 6 1.93810690142 7.135985398158E-02 -2.17182509407 1 1.44127945712 -1.34174421826 -3.57579700736 1 1.85954730813 1.90266503311 -3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 -1.83021062745 0.923376785869 1 -1.89573167271 0.347838378411 -0.695134146311 1 0.441627040364 1.42860412068 1.40142839635 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 22.5771469666 -1.15315062242 1.33850011954 6 17.8425169573 0.576156120662 -2.234632623383E-03 6 21.1633719312 -2.48100690435 -0.409962720559 6 21.6107089723 0.989908679563 2.48228696960 6 19.2440933876 1.84630992232 1.80831765324 6 18.7957098516 -1.60947522179 -1.08290543351 1 21.8946454585 -4.19945910018 -1.18536236676 1 22.6855831307 1.93339152381 3.91236744583 1 18.4339240240 3.48182972505 2.67523222275 1 17.7008464917 -2.68987866802 -2.39737300535 16 25.6065323789 -2.21318301591 2.12963917739 8 26.1459122384 -1.31654885736 4.62396311682 8 25.7256214254 -4.83779591130 1.48007485887 7 27.4751893457 -0.743706108843 0.237803865057 1 28.0301701289 -1.56579060238 -1.36866835464 1 28.3270991466 0.844667304544 0.800499116961 6 15.2894950371 1.66650661716 -0.597501874580 8 14.3687896107 3.29889550467 0.754640571509 7 14.1000853631 0.805668522375 -2.68023465397 1 14.9377893462 -0.404137958512 -3.84561620167 6 11.5717591707 1.74173503480 -3.34228248627 1 11.5333026393 3.75907383560 -3.02446283844 1 11.2783293185 1.38337013554 -5.33468474421 6 9.48677589010 0.474256852886 -1.76614598946 1 9.86157341390 0.860340863107 0.208498546579 1 9.56627349941 -1.55562313317 -2.04857411438 6 6.84855323045 1.47113086062 -2.48064608058 1 6.79648913596 3.50501120231 -2.20511689137 1 6.49229173351 1.11341496630 -4.47217285833 6 4.73751179529 0.241051054790 -0.898179482966 1 5.09253015610 0.596968801207 1.09184063865 1 4.78211518922 -1.79347499883 -1.17152183930 6 2.09502690272 1.24324747214 -1.59513297750 1 2.05024617966 3.27578983933 -1.31947880152 1 1.74096952081 0.890659058047 -3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 -2.03079721447 -0.281447018883 1 -1.84622701379 0.726603423243 -0.512706719913 1 0.300397382099 0.366813160548 1.99443311341 ------------------------------------------------ 6 5.04401540573 -5.065785560124E-17 8.565768416162E-02 6 9.27990108396 -9.396277336371E-17 -2.94283641892 6 6.11045552513 -2.27247789332 -0.644730598780 6 6.11045552513 2.27247789332 -0.644730598780 6 8.22908048709 2.26870089799 -2.17155776959 6 8.22908048709 -2.26870089799 -2.17155776959 1 5.30807717985 -4.00751998316 1.696942951703E-02 1 5.30807717985 4.00751998316 1.696942951703E-02 1 9.06580730279 4.02284755065 -2.73828333892 1 9.06580730279 -4.02284755065 -2.73828333892 1 10.9268739609 -1.108006638944E-16 -4.12165702328 16 2.32566022845 -2.288454205577E-17 1.95862643609 8 2.24799399215 2.36940193927 3.26556451771 8 2.24799399215 -2.36940193927 3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 -1.62837329388 -0.493096431600 1 -0.817594738155 1.62837329388 -0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 22.5771469666 -1.15315062242 1.33850011954 6 17.8425169573 0.576156120662 -2.234632623383E-03 6 21.1633719312 -2.48100690435 -0.409962720559 6 21.6107089723 0.989908679563 2.48228696960 6 19.2440933876 1.84630992232 1.80831765324 6 18.7957098516 -1.60947522179 -1.08290543351 1 21.8946454585 -4.19945910018 -1.18536236676 1 22.6855831307 1.93339152381 3.91236744583 1 18.4339240240 3.48182972505 2.67523222275 1 17.7008464917 -2.68987866802 -2.39737300535 16 25.6065323789 -2.21318301591 2.12963917739 8 26.1459122384 -1.31654885736 4.62396311682 8 25.7256214254 -4.83779591130 1.48007485887 7 27.4751893457 -0.743706108843 0.237803865057 1 28.0301701289 -1.56579060238 -1.36866835464 1 28.3270991466 0.844667304544 0.800499116961 6 15.2894950371 1.66650661716 -0.597501874580 8 14.3687896107 3.29889550467 0.754640571509 7 14.1000853631 0.805668522375 -2.68023465397 1 14.9377893462 -0.404137958512 -3.84561620167 6 11.5717591707 1.74173503480 -3.34228248627 1 11.5333026393 3.75907383560 -3.02446283844 1 11.2783293185 1.38337013554 -5.33468474421 6 9.48677589010 0.474256852886 -1.76614598946 1 9.86157341390 0.860340863107 0.208498546579 1 9.56627349941 -1.55562313317 -2.04857411438 6 6.84855323045 1.47113086062 -2.48064608058 1 6.79648913596 3.50501120231 -2.20511689137 1 6.49229173351 1.11341496630 -4.47217285833 6 4.73751179529 0.241051054790 -0.898179482966 1 5.09253015610 0.596968801207 1.09184063865 1 4.78211518922 -1.79347499883 -1.17152183930 6 2.09502690272 1.24324747214 -1.59513297750 1 2.05024617966 3.27578983933 -1.31947880152 1 1.74096952081 0.890659058047 -3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 -2.03079721447 -0.281447018883 1 -1.84622701379 0.726603423243 -0.512706719913 1 0.300397382099 0.366813160548 1.99443311341 ------------------------------------------------ 6 8.11007909745 -8.556435899195E-18 -0.100897097935 6 2.86329951331 -2.922536611154E-18 -7.349736953064E-02 6 6.80777063774 -2.26567639154 -0.121232299609 6 6.80777063774 2.26567639154 -0.121232299609 6 4.19897121896 2.25839811190 -9.895828809266E-02 6 4.19897121896 -2.25839811190 -9.895828809266E-02 1 7.83682406515 -4.00573551491 -0.201208431763 1 7.83682406515 4.00573551491 -0.201208431763 1 3.19435364603 4.01778780932 -0.125815986880 1 3.19435364603 -4.01778780932 -0.125815986880 16 11.4059109298 -1.222287901647E-17 -6.903234852523E-02 8 12.2226557176 2.36966347735 -1.09351831769 8 12.2226557176 -2.36966347735 -1.09351831769 7 12.1903871090 -2.070990068685E-17 2.87084462677 1 12.5792272181 -1.62848573258 3.74230825804 1 12.5792272181 1.62848573258 3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 -4.336273740756E-18 1.94437378897 1 -0.758564487207 1.65923610975 -0.927043031519 1 -0.758564487207 -1.65923610975 -0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 22.5771469666 -1.15315062242 1.33850011954 6 17.8425169573 0.576156120662 -2.234632623383E-03 6 21.1633719312 -2.48100690435 -0.409962720559 6 21.6107089723 0.989908679563 2.48228696960 6 19.2440933876 1.84630992232 1.80831765324 6 18.7957098516 -1.60947522179 -1.08290543351 1 21.8946454585 -4.19945910018 -1.18536236676 1 22.6855831307 1.93339152381 3.91236744583 1 18.4339240240 3.48182972505 2.67523222275 1 17.7008464917 -2.68987866802 -2.39737300535 16 25.6065323789 -2.21318301591 2.12963917739 8 26.1459122384 -1.31654885736 4.62396311682 8 25.7256214254 -4.83779591130 1.48007485887 7 27.4751893457 -0.743706108843 0.237803865057 1 28.0301701289 -1.56579060238 -1.36866835464 1 28.3270991466 0.844667304544 0.800499116961 6 15.2894950371 1.66650661716 -0.597501874580 8 14.3687896107 3.29889550467 0.754640571509 7 14.1000853631 0.805668522375 -2.68023465397 1 14.9377893462 -0.404137958512 -3.84561620167 6 11.5717591707 1.74173503480 -3.34228248627 1 11.5333026393 3.75907383560 -3.02446283844 1 11.2783293185 1.38337013554 -5.33468474421 6 9.48677589010 0.474256852886 -1.76614598946 1 9.86157341390 0.860340863107 0.208498546579 1 9.56627349941 -1.55562313317 -2.04857411438 6 6.84855323045 1.47113086062 -2.48064608058 1 6.79648913596 3.50501120231 -2.20511689137 1 6.49229173351 1.11341496630 -4.47217285833 6 4.73751179529 0.241051054790 -0.898179482966 1 5.09253015610 0.596968801207 1.09184063865 1 4.78211518922 -1.79347499883 -1.17152183930 6 2.09502690272 1.24324747214 -1.59513297750 1 2.05024617966 3.27578983933 -1.31947880152 1 1.74096952081 0.890659058047 -3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 -2.03079721447 -0.281447018883 1 -1.84622701379 0.726603423243 -0.512706719913 1 0.300397382099 0.366813160548 1.99443311341 ------------------------------------------------ 6 9.49515614095 1.986230634504E-17 0.330909318726 6 4.54766506655 -1.418482302241E-17 -1.41449070261 6 8.25938767444 2.26624765571 -7.914581718090E-02 6 8.25938767444 -2.26624765571 -7.914581718090E-02 6 5.80247435955 -2.25843288285 -0.956589914867 6 5.80247435955 2.25843288285 -0.956589914867 1 9.20891937494 4.00630432243 0.325801090800 1 9.20891937494 -4.00630432243 0.325801090800 1 4.84800788582 -4.01788928760 -1.27432519389 1 4.84800788582 4.01788928760 -1.27432519389 16 12.6215076530 4.047871219384E-17 1.37421975164 8 13.0597966465 -2.36964987132 2.60912294465 8 13.0597966465 2.36964987132 2.60912294465 7 14.3219760733 5.129921083899E-18 -1.14895839935 1 14.9723537348 1.62851785792 -1.84712919698 1 14.9723537348 -1.62851785792 -1.84712919698 6 1.82011448549 -3.162508651201E-17 -2.28845439361 1 1.46450096442 -1.65231782291 -3.44535547264 1 1.46450096442 1.65231782291 -3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 -1.65855864299 1.15861699465 1 0.312880607522 1.65855864299 1.15861699465 1 -1.95068478995 -1.250653597013E-17 -0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 22.5771469666 -1.15315062242 1.33850011954 6 17.8425169573 0.576156120662 -2.234632623383E-03 6 21.1633719312 -2.48100690435 -0.409962720559 6 21.6107089723 0.989908679563 2.48228696960 6 19.2440933876 1.84630992232 1.80831765324 6 18.7957098516 -1.60947522179 -1.08290543351 1 21.8946454585 -4.19945910018 -1.18536236676 1 22.6855831307 1.93339152381 3.91236744583 1 18.4339240240 3.48182972505 2.67523222275 1 17.7008464917 -2.68987866802 -2.39737300535 16 25.6065323789 -2.21318301591 2.12963917739 8 26.1459122384 -1.31654885736 4.62396311682 8 25.7256214254 -4.83779591130 1.48007485887 7 27.4751893457 -0.743706108843 0.237803865057 1 28.0301701289 -1.56579060238 -1.36866835464 1 28.3270991466 0.844667304544 0.800499116961 6 15.2894950371 1.66650661716 -0.597501874580 8 14.3687896107 3.29889550467 0.754640571509 7 14.1000853631 0.805668522375 -2.68023465397 1 14.9377893462 -0.404137958512 -3.84561620167 6 11.5717591707 1.74173503480 -3.34228248627 1 11.5333026393 3.75907383560 -3.02446283844 1 11.2783293185 1.38337013554 -5.33468474421 6 9.48677589010 0.474256852886 -1.76614598946 1 9.86157341390 0.860340863107 0.208498546579 1 9.56627349941 -1.55562313317 -2.04857411438 6 6.84855323045 1.47113086062 -2.48064608058 1 6.79648913596 3.50501120231 -2.20511689137 1 6.49229173351 1.11341496630 -4.47217285833 6 4.73751179529 0.241051054790 -0.898179482966 1 5.09253015610 0.596968801207 1.09184063865 1 4.78211518922 -1.79347499883 -1.17152183930 6 2.09502690272 1.24324747214 -1.59513297750 1 2.05024617966 3.27578983933 -1.31947880152 1 1.74096952081 0.890659058047 -3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 -2.03079721447 -0.281447018883 1 -1.84622701379 0.726603423243 -0.512706719913 1 0.300397382099 0.366813160548 1.99443311341 ------------------------------------------------ 6 12.3462848294 -8.276065163872E-20 -0.219629035968 6 7.27697590475 1.666425406161E-18 1.13352461031 6 11.0821729337 -2.26629036351 9.228879249722E-02 6 11.0821729337 2.26629036351 9.228879249722E-02 6 8.56408820998 2.25853587292 0.774654122839 6 8.56408820998 -2.25853587292 0.774654122839 1 12.0604999845 -4.00629846428 -0.237334526856 1 12.0604999845 4.00629846428 -0.237334526856 1 7.58747623906 4.01782409206 1.01660875510 1 7.58747623906 -4.01782409206 1.01660875510 16 15.5446672699 -1.106855929460E-18 -1.01482146618 8 16.0785895276 2.36961755701 -2.21160547802 8 16.0785895276 -2.36961755701 -2.21160547802 7 17.0423265084 2.516184840979E-18 1.63372129060 1 17.6356158799 -1.62852220429 2.38095755132 1 17.6356158799 1.62852220429 2.38095755132 6 4.48973225005 2.504801715792E-18 1.78668016231 1 4.03784923022 1.65364233185 2.91036104922 1 4.03784923022 -1.65364233185 2.91036104922 6 2.84178543494 -8.061817684800E-19 -0.630150435706 1 3.30689183592 1.64977444070 -1.75284818480 1 3.30689183592 -1.64977444070 -1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 1.66081705451 1.09295879416 1 -1.12447528227 -2.345093436379E-18 -1.71233470070 1 -0.500643208584 -1.66081705451 1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide ------------------------------------------------ 6 22.5771469666 -1.15315062242 1.33850011954 6 17.8425169573 0.576156120662 -2.234632623383E-03 6 21.1633719312 -2.48100690435 -0.409962720559 6 21.6107089723 0.989908679563 2.48228696960 6 19.2440933876 1.84630992232 1.80831765324 6 18.7957098516 -1.60947522179 -1.08290543351 1 21.8946454585 -4.19945910018 -1.18536236676 1 22.6855831307 1.93339152381 3.91236744583 1 18.4339240240 3.48182972505 2.67523222275 1 17.7008464917 -2.68987866802 -2.39737300535 16 25.6065323789 -2.21318301591 2.12963917739 8 26.1459122384 -1.31654885736 4.62396311682 8 25.7256214254 -4.83779591130 1.48007485887 7 27.4751893457 -0.743706108843 0.237803865057 1 28.0301701289 -1.56579060238 -1.36866835464 1 28.3270991466 0.844667304544 0.800499116961 6 15.2894950371 1.66650661716 -0.597501874580 8 14.3687896107 3.29889550467 0.754640571509 7 14.1000853631 0.805668522375 -2.68023465397 1 14.9377893462 -0.404137958512 -3.84561620167 6 11.5717591707 1.74173503480 -3.34228248627 1 11.5333026393 3.75907383560 -3.02446283844 1 11.2783293185 1.38337013554 -5.33468474421 6 9.48677589010 0.474256852886 -1.76614598946 1 9.86157341390 0.860340863107 0.208498546579 1 9.56627349941 -1.55562313317 -2.04857411438 6 6.84855323045 1.47113086062 -2.48064608058 1 6.79648913596 3.50501120231 -2.20511689137 1 6.49229173351 1.11341496630 -4.47217285833 6 4.73751179529 0.241051054790 -0.898179482966 1 5.09253015610 0.596968801207 1.09184063865 1 4.78211518922 -1.79347499883 -1.17152183930 6 2.09502690272 1.24324747214 -1.59513297750 1 2.05024617966 3.27578983933 -1.31947880152 1 1.74096952081 0.890659058047 -3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 -2.03079721447 -0.281447018883 1 -1.84622701379 0.726603423243 -0.512706719913 1 0.300397382099 0.366813160548 1.99443311341 ------------------------------------------------ 6 14.1238159113 -1.214503673567E-17 0.678437661017 6 9.44100667607 -7.329180195868E-17 -1.68836769331 6 12.9508759688 2.26624992338 0.112955994743 6 12.9508759688 -2.26624992338 0.112955994743 6 10.6269754875 -2.25848844080 -1.07270695836 6 10.6269754875 2.25848844080 -1.07270695836 1 13.8404298349 4.00630337757 0.636723693997 1 13.8404298349 -4.00630337757 0.636723693997 1 9.72086351835 -4.01774604637 -1.51016368205 1 9.72086351835 4.01774604637 -1.51016368205 16 17.0896510524 2.469474469544E-17 2.11542048055 8 17.3657436482 -2.36962001365 3.39654871916 8 17.3657436482 2.36962001365 3.39654871916 7 19.1011870389 -4.944166890890E-17 -0.167534197609 1 19.8356986120 1.62853921182 -0.776447021723 1 19.8356986120 -1.62853921182 -0.776447021723 6 6.84711615725 -1.041405701228E-16 -2.90008400935 1 6.63682781461 1.65387609096 -4.09248466188 1 6.63682781461 -1.65387609096 -4.09248466188 6 4.74105840551 -3.748430357849E-17 -0.870168924938 1 4.96583213621 1.65095665328 0.325145161310 1 4.96583213621 -1.65095665328 0.325145161310 6 2.07671001580 -6.693452376398E-17 -2.04129882743 1 1.86017810411 1.65244972578 -3.23844110052 1 1.86017810411 -1.65244972578 -3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 1.66008648645 1.19157111842 1 -1.86482588637 -2.150045959666E-17 -0.848869041688 1 0.161115980412 -1.66008648645 1.19157111842 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide --> 6-*- 6 (6)4-Am-Benzenesulfonamide ------------------------------------------------ 6 22.5771469666 -1.15315062242 1.33850011954 6 17.8425169573 0.576156120662 -2.234632623383E-03 6 21.1633719312 -2.48100690435 -0.409962720559 6 21.6107089723 0.989908679563 2.48228696960 6 19.2440933876 1.84630992232 1.80831765324 6 18.7957098516 -1.60947522179 -1.08290543351 1 21.8946454585 -4.19945910018 -1.18536236676 1 22.6855831307 1.93339152381 3.91236744583 1 18.4339240240 3.48182972505 2.67523222275 1 17.7008464917 -2.68987866802 -2.39737300535 16 25.6065323789 -2.21318301591 2.12963917739 8 26.1459122384 -1.31654885736 4.62396311682 8 25.7256214254 -4.83779591130 1.48007485887 7 27.4751893457 -0.743706108843 0.237803865057 1 28.0301701289 -1.56579060238 -1.36866835464 1 28.3270991466 0.844667304544 0.800499116961 6 15.2894950371 1.66650661716 -0.597501874580 8 14.3687896107 3.29889550467 0.754640571509 7 14.1000853631 0.805668522375 -2.68023465397 1 14.9377893462 -0.404137958512 -3.84561620167 6 11.5717591707 1.74173503480 -3.34228248627 1 11.5333026393 3.75907383560 -3.02446283844 1 11.2783293185 1.38337013554 -5.33468474421 6 9.48677589010 0.474256852886 -1.76614598946 1 9.86157341390 0.860340863107 0.208498546579 1 9.56627349941 -1.55562313317 -2.04857411438 6 6.84855323045 1.47113086062 -2.48064608058 1 6.79648913596 3.50501120231 -2.20511689137 1 6.49229173351 1.11341496630 -4.47217285833 6 4.73751179529 0.241051054790 -0.898179482966 1 5.09253015610 0.596968801207 1.09184063865 1 4.78211518922 -1.79347499883 -1.17152183930 6 2.09502690272 1.24324747214 -1.59513297750 1 2.05024617966 3.27578983933 -1.31947880152 1 1.74096952081 0.890659058047 -3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 -2.03079721447 -0.281447018883 1 -1.84622701379 0.726603423243 -0.512706719913 1 0.300397382099 0.366813160548 1.99443311341 ------------------------------------------------ 6 16.9068057473 0.243177970445 -1.059325119563E-16 6 12.0155875324 -1.65600530852 -7.874007219591E-16 6 15.7028346951 -0.252939874960 -2.26622819153 6 15.7028346951 -0.252939874960 2.26622819153 6 13.2672687790 -1.18799231963 2.25851621977 6 13.2672687790 -1.18799231963 -2.25851621977 1 16.6905927723 4.935959543974E-02 -4.00587781127 1 16.6905927723 4.935959543974E-02 4.00587781127 1 12.3418929399 -1.58361797677 4.01758126227 1 12.3418929399 -1.58361797677 -4.01758126227 16 19.9613139677 1.48061075670 3.396565444380E-16 8 21.0975033451 0.827628604396 2.36965497358 8 21.0975033451 0.827628604396 -2.36965497358 7 19.6140817394 4.50363661503 1.520890767875E-15 1 19.6563448244 5.45686048237 -1.62850009449 1 19.6563448244 5.45686048237 1.62850009449 6 9.31463490683 -2.60509907624 -1.124910972962E-15 1 8.98767928251 -3.77103356608 -1.65353820795 1 8.98767928251 -3.77103356608 1.65353820795 6 7.41754404250 -0.378508099205 -2.354035425308E-16 1 7.75886683358 0.788097380015 -1.65185162751 1 7.75886683358 0.788097380015 1.65185162751 6 4.65268631611 -1.28701345345 -5.563510498846E-16 1 4.32004736793 -2.45842354097 -1.65339251008 1 4.32004736793 -2.45842354097 1.65339251008 6 2.76072678768 0.925807775628 3.277337893163E-16 1 3.09073708924 2.09665994535 -1.65204135600 1 3.09073708924 2.09665994535 1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 -1.14184653845 -1.66034613480 1 -1.30590878374 1.57901648689 6.303379891292E-16 1 -0.377248445559 -1.14184653845 1.66034613480 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide ------------------------------------------------ 6 22.5771469666 -1.15315062242 1.33850011954 6 17.8425169573 0.576156120662 -2.234632623383E-03 6 21.1633719312 -2.48100690435 -0.409962720559 6 21.6107089723 0.989908679563 2.48228696960 6 19.2440933876 1.84630992232 1.80831765324 6 18.7957098516 -1.60947522179 -1.08290543351 1 21.8946454585 -4.19945910018 -1.18536236676 1 22.6855831307 1.93339152381 3.91236744583 1 18.4339240240 3.48182972505 2.67523222275 1 17.7008464917 -2.68987866802 -2.39737300535 16 25.6065323789 -2.21318301591 2.12963917739 8 26.1459122384 -1.31654885736 4.62396311682 8 25.7256214254 -4.83779591130 1.48007485887 7 27.4751893457 -0.743706108843 0.237803865057 1 28.0301701289 -1.56579060238 -1.36866835464 1 28.3270991466 0.844667304544 0.800499116961 6 15.2894950371 1.66650661716 -0.597501874580 8 14.3687896107 3.29889550467 0.754640571509 7 14.1000853631 0.805668522375 -2.68023465397 1 14.9377893462 -0.404137958512 -3.84561620167 6 11.5717591707 1.74173503480 -3.34228248627 1 11.5333026393 3.75907383560 -3.02446283844 1 11.2783293185 1.38337013554 -5.33468474421 6 9.48677589010 0.474256852886 -1.76614598946 1 9.86157341390 0.860340863107 0.208498546579 1 9.56627349941 -1.55562313317 -2.04857411438 6 6.84855323045 1.47113086062 -2.48064608058 1 6.79648913596 3.50501120231 -2.20511689137 1 6.49229173351 1.11341496630 -4.47217285833 6 4.73751179529 0.241051054790 -0.898179482966 1 5.09253015610 0.596968801207 1.09184063865 1 4.78211518922 -1.79347499883 -1.17152183930 6 2.09502690272 1.24324747214 -1.59513297750 1 2.05024617966 3.27578983933 -1.31947880152 1 1.74096952081 0.890659058047 -3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 -2.03079721447 -0.281447018883 1 -1.84622701379 0.726603423243 -0.512706719913 1 0.300397382099 0.366813160548 1.99443311341 ------------------------------------------------ 6 12.0127056291 0.467319191248 -0.111806432972 6 6.97352093600 -0.759917308701 -4.748266917407E-02 6 10.2217532895 2.37079219426 -0.152809003460 6 11.3033419938 -2.04980757052 -9.307700569057E-02 6 8.76972951282 -2.66113662451 -5.092383423729E-02 6 7.68607351310 1.75397861179 -0.112223563757 1 10.8183018721 4.29997421278 -0.259688127616 1 12.7207799808 -3.49060386186 -0.155267676093 1 8.15790328645 -4.58878364063 -3.776105769249E-02 1 6.26630294078 3.18887845369 -0.146456888627 16 15.2263520177 1.25494370756 -8.406950718910E-02 8 16.5763713396 -0.857729096636 -1.09992283794 8 15.4471228542 3.74394477194 -1.12115495093 7 15.9595091226 1.44681230628 2.85648386684 1 15.9368640683 3.12142107712 3.72820018659 1 16.7225609771 -3.868535428217E-02 3.73740008869 6 4.28110783217 -1.51706821998 -4.380793909740E-03 8 3.53735775286 -3.67127241182 4.627237069106E-02 8 2.70645115658 0.479140449071 -2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 -1.08656629775 -1.64022531142 1 -0.866069129495 1.83937203385 -2.906081667564E-02 1 -0.516390062658 -1.02531407580 1.68530034526 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide ------------------------------------------------ 6 22.5771469666 -1.15315062242 1.33850011954 6 17.8425169573 0.576156120662 -2.234632623383E-03 6 21.1633719312 -2.48100690435 -0.409962720559 6 21.6107089723 0.989908679563 2.48228696960 6 19.2440933876 1.84630992232 1.80831765324 6 18.7957098516 -1.60947522179 -1.08290543351 1 21.8946454585 -4.19945910018 -1.18536236676 1 22.6855831307 1.93339152381 3.91236744583 1 18.4339240240 3.48182972505 2.67523222275 1 17.7008464917 -2.68987866802 -2.39737300535 16 25.6065323789 -2.21318301591 2.12963917739 8 26.1459122384 -1.31654885736 4.62396311682 8 25.7256214254 -4.83779591130 1.48007485887 7 27.4751893457 -0.743706108843 0.237803865057 1 28.0301701289 -1.56579060238 -1.36866835464 1 28.3270991466 0.844667304544 0.800499116961 6 15.2894950371 1.66650661716 -0.597501874580 8 14.3687896107 3.29889550467 0.754640571509 7 14.1000853631 0.805668522375 -2.68023465397 1 14.9377893462 -0.404137958512 -3.84561620167 6 11.5717591707 1.74173503480 -3.34228248627 1 11.5333026393 3.75907383560 -3.02446283844 1 11.2783293185 1.38337013554 -5.33468474421 6 9.48677589010 0.474256852886 -1.76614598946 1 9.86157341390 0.860340863107 0.208498546579 1 9.56627349941 -1.55562313317 -2.04857411438 6 6.84855323045 1.47113086062 -2.48064608058 1 6.79648913596 3.50501120231 -2.20511689137 1 6.49229173351 1.11341496630 -4.47217285833 6 4.73751179529 0.241051054790 -0.898179482966 1 5.09253015610 0.596968801207 1.09184063865 1 4.78211518922 -1.79347499883 -1.17152183930 6 2.09502690272 1.24324747214 -1.59513297750 1 2.05024617966 3.27578983933 -1.31947880152 1 1.74096952081 0.890659058047 -3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 -2.03079721447 -0.281447018883 1 -1.84622701379 0.726603423243 -0.512706719913 1 0.300397382099 0.366813160548 1.99443311341 ------------------------------------------------ 6 9.25649635012 1.80846527957 9.292601243073E-02 6 4.49653007628 -0.252386364964 5.563329730033E-02 6 8.97661510100 -0.790299344150 0.119114341606 6 7.17209172246 3.38798511785 0.102169685012 6 4.78224687467 2.34735739516 7.329320901833E-02 6 6.58177520099 -1.82758693433 9.237860791359E-02 1 10.6170947155 -1.96958871556 0.204027651419 1 7.43391914542 5.39176377246 0.175377186833 1 3.13114524169 3.51529832560 8.157662744579E-02 1 6.31465409765 -3.82860234946 0.115984151186 16 12.2941652834 3.11903583590 4.829871274683E-02 8 12.1064542125 5.60990047425 1.08680327140 8 13.9812398042 1.25851015147 1.05437846650 7 12.9682120575 3.43319864541 -2.89600901229 1 13.9516579638 2.09107340260 -3.78830088073 1 12.6725674087 5.08557002470 -3.76041888038 6 1.89086902464 -1.27466774715 2.847109335790E-02 8 1.83775228380 -3.81438709360 3.668617006514E-02 6 -0.611334772331 -5.09553939230 2.759474634627E-02 1 -1.67193584771 -4.49484752416 1.66284241111 1 -1.63290597596 -4.54650767572 -1.65033477868 6 -2.628882640013E-02 -7.90958602311 7.826139859268E-02 1 1.04055063371 -8.37091267308 1.76016592182 1 1.08118978950 -8.42305482102 -1.56183569609 1 -1.76381943467 -8.99262746496 7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide ------------------------------------------------ 6 22.5771469666 -1.15315062242 1.33850011954 6 17.8425169573 0.576156120662 -2.234632623383E-03 6 21.1633719312 -2.48100690435 -0.409962720559 6 21.6107089723 0.989908679563 2.48228696960 6 19.2440933876 1.84630992232 1.80831765324 6 18.7957098516 -1.60947522179 -1.08290543351 1 21.8946454585 -4.19945910018 -1.18536236676 1 22.6855831307 1.93339152381 3.91236744583 1 18.4339240240 3.48182972505 2.67523222275 1 17.7008464917 -2.68987866802 -2.39737300535 16 25.6065323789 -2.21318301591 2.12963917739 8 26.1459122384 -1.31654885736 4.62396311682 8 25.7256214254 -4.83779591130 1.48007485887 7 27.4751893457 -0.743706108843 0.237803865057 1 28.0301701289 -1.56579060238 -1.36866835464 1 28.3270991466 0.844667304544 0.800499116961 6 15.2894950371 1.66650661716 -0.597501874580 8 14.3687896107 3.29889550467 0.754640571509 7 14.1000853631 0.805668522375 -2.68023465397 1 14.9377893462 -0.404137958512 -3.84561620167 6 11.5717591707 1.74173503480 -3.34228248627 1 11.5333026393 3.75907383560 -3.02446283844 1 11.2783293185 1.38337013554 -5.33468474421 6 9.48677589010 0.474256852886 -1.76614598946 1 9.86157341390 0.860340863107 0.208498546579 1 9.56627349941 -1.55562313317 -2.04857411438 6 6.84855323045 1.47113086062 -2.48064608058 1 6.79648913596 3.50501120231 -2.20511689137 1 6.49229173351 1.11341496630 -4.47217285833 6 4.73751179529 0.241051054790 -0.898179482966 1 5.09253015610 0.596968801207 1.09184063865 1 4.78211518922 -1.79347499883 -1.17152183930 6 2.09502690272 1.24324747214 -1.59513297750 1 2.05024617966 3.27578983933 -1.31947880152 1 1.74096952081 0.890659058047 -3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 -2.03079721447 -0.281447018883 1 -1.84622701379 0.726603423243 -0.512706719913 1 0.300397382099 0.366813160548 1.99443311341 ------------------------------------------------ 6 16.2691799750 0.861123974289 -0.131186883282 6 11.5121945621 -1.20427204035 -2.028457912686E-02 6 14.1804039648 2.43212467262 -0.170027955664 6 15.9979271981 -1.73975638478 -9.085209513991E-02 6 13.6053532164 -2.77244247494 -2.499575182470E-02 6 11.7868447762 1.39343219905 -0.106330752902 1 14.4397111888 4.43379554927 -0.293347888880 1 17.6391790059 -2.91927288464 -0.155077522013 1 13.3297352136 -4.77580185192 5.280276989638E-03 1 10.1431555114 2.56525744119 -0.138937307621 16 19.3020004227 2.18348775204 -0.134299477251 8 20.9842079738 0.325733494236 -1.15270139607 8 19.0886880558 4.66812122535 -1.18366001761 7 20.0154046741 2.51391842666 2.79896253743 1 19.7140075146 4.16469009410 3.66423830225 1 21.0264342221 1.18451012097 3.67951649332 6 8.98524438142 -2.40710164988 4.683800638368E-02 8 8.62404088094 -4.65762117820 0.119145313158 8 7.09521260910 -0.710056286046 2.027193485411E-02 6 4.48588899364 -1.61442012240 6.043557639931E-02 1 4.18402977757 -2.83160191470 -1.54997335048 1 4.18851510037 -2.69852442655 1.76429702456 6 2.81774658260 0.727728392362 -3.131445935321E-02 1 3.26511634385 1.91346199534 1.57535965464 1 3.26258594609 1.78075553052 -1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 1.67378352623 -6.601676572586E-02 1 -0.468128283684 -1.03824231167 1.70442814436 1 -0.470300494955 -1.17038221894 -1.61582801791 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide ------------------------------------------------ 6 22.5771469666 -1.15315062242 1.33850011954 6 17.8425169573 0.576156120662 -2.234632623383E-03 6 21.1633719312 -2.48100690435 -0.409962720559 6 21.6107089723 0.989908679563 2.48228696960 6 19.2440933876 1.84630992232 1.80831765324 6 18.7957098516 -1.60947522179 -1.08290543351 1 21.8946454585 -4.19945910018 -1.18536236676 1 22.6855831307 1.93339152381 3.91236744583 1 18.4339240240 3.48182972505 2.67523222275 1 17.7008464917 -2.68987866802 -2.39737300535 16 25.6065323789 -2.21318301591 2.12963917739 8 26.1459122384 -1.31654885736 4.62396311682 8 25.7256214254 -4.83779591130 1.48007485887 7 27.4751893457 -0.743706108843 0.237803865057 1 28.0301701289 -1.56579060238 -1.36866835464 1 28.3270991466 0.844667304544 0.800499116961 6 15.2894950371 1.66650661716 -0.597501874580 8 14.3687896107 3.29889550467 0.754640571509 7 14.1000853631 0.805668522375 -2.68023465397 1 14.9377893462 -0.404137958512 -3.84561620167 6 11.5717591707 1.74173503480 -3.34228248627 1 11.5333026393 3.75907383560 -3.02446283844 1 11.2783293185 1.38337013554 -5.33468474421 6 9.48677589010 0.474256852886 -1.76614598946 1 9.86157341390 0.860340863107 0.208498546579 1 9.56627349941 -1.55562313317 -2.04857411438 6 6.84855323045 1.47113086062 -2.48064608058 1 6.79648913596 3.50501120231 -2.20511689137 1 6.49229173351 1.11341496630 -4.47217285833 6 4.73751179529 0.241051054790 -0.898179482966 1 5.09253015610 0.596968801207 1.09184063865 1 4.78211518922 -1.79347499883 -1.17152183930 6 2.09502690272 1.24324747214 -1.59513297750 1 2.05024617966 3.27578983933 -1.31947880152 1 1.74096952081 0.890659058047 -3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 -2.03079721447 -0.281447018883 1 -1.84622701379 0.726603423243 -0.512706719913 1 0.300397382099 0.366813160548 1.99443311341 ------------------------------------------------ 6 17.9684279399 1.54301176377 -0.149693423226 6 13.6326730870 -1.30132688262 -2.138183749743E-02 6 15.6426740929 2.73563073422 -0.189786012449 6 18.1438750705 -1.06604052147 -9.962044033802E-02 6 15.9621451629 -2.49057033907 -2.523220981312E-02 6 13.4610204855 1.30509459913 -0.117287370756 1 15.5573431966 4.75166639252 -0.321088296824 1 19.9617870444 -1.94922244854 -0.163264253275 1 16.0314585342 -4.51140907128 1.239461845501E-02 1 11.6418341179 2.17978662007 -0.150641401029 16 20.7317846783 3.36204210634 -0.163987391502 8 22.7051478607 1.81249173186 -1.17548489088 8 20.0987699462 5.76903704384 -1.22508771415 7 21.3801516200 3.82469400623 2.76690153273 1 20.8048852121 5.40607792939 3.62309870587 1 22.6005200302 2.68935847433 3.65393602741 6 11.3472294671 -2.91626214998 5.651370344789E-02 8 9.19665552725 -1.56522590120 3.245613991045E-02 6 6.77856962350 -2.90016097853 8.749655544515E-02 1 6.67652246165 -4.14495637472 -1.52674105702 1 6.68550306343 -4.02593032336 1.78755983989 6 4.73704841955 -0.874096953142 1.969560988444E-02 1 4.98065500262 0.246176556333 -1.67702200013 1 4.98893864106 0.366141886882 1.62964287548 8 11.3745245833 -5.19521098803 0.135688264964 6 2.07271853085 -2.04310727132 6.880948422220E-02 1 1.85408721205 -3.17805095775 1.76397604453 1 1.84594669663 -3.29720682002 -1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 1.24962477650 1.61609500694 1 -1.86381093455 -0.848750824383 3.507941596838E-02 1 0.158113135931 1.12952769314 -1.70286806009 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide --> 11-*- 11 (11)4-COOAm-benzenesulfonamide ------------------------------------------------ 6 22.5771469666 -1.15315062242 1.33850011954 6 17.8425169573 0.576156120662 -2.234632623383E-03 6 21.1633719312 -2.48100690435 -0.409962720559 6 21.6107089723 0.989908679563 2.48228696960 6 19.2440933876 1.84630992232 1.80831765324 6 18.7957098516 -1.60947522179 -1.08290543351 1 21.8946454585 -4.19945910018 -1.18536236676 1 22.6855831307 1.93339152381 3.91236744583 1 18.4339240240 3.48182972505 2.67523222275 1 17.7008464917 -2.68987866802 -2.39737300535 16 25.6065323789 -2.21318301591 2.12963917739 8 26.1459122384 -1.31654885736 4.62396311682 8 25.7256214254 -4.83779591130 1.48007485887 7 27.4751893457 -0.743706108843 0.237803865057 1 28.0301701289 -1.56579060238 -1.36866835464 1 28.3270991466 0.844667304544 0.800499116961 6 15.2894950371 1.66650661716 -0.597501874580 8 14.3687896107 3.29889550467 0.754640571509 7 14.1000853631 0.805668522375 -2.68023465397 1 14.9377893462 -0.404137958512 -3.84561620167 6 11.5717591707 1.74173503480 -3.34228248627 1 11.5333026393 3.75907383560 -3.02446283844 1 11.2783293185 1.38337013554 -5.33468474421 6 9.48677589010 0.474256852886 -1.76614598946 1 9.86157341390 0.860340863107 0.208498546579 1 9.56627349941 -1.55562313317 -2.04857411438 6 6.84855323045 1.47113086062 -2.48064608058 1 6.79648913596 3.50501120231 -2.20511689137 1 6.49229173351 1.11341496630 -4.47217285833 6 4.73751179529 0.241051054790 -0.898179482966 1 5.09253015610 0.596968801207 1.09184063865 1 4.78211518922 -1.79347499883 -1.17152183930 6 2.09502690272 1.24324747214 -1.59513297750 1 2.05024617966 3.27578983933 -1.31947880152 1 1.74096952081 0.890659058047 -3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 -2.03079721447 -0.281447018883 1 -1.84622701379 0.726603423243 -0.512706719913 1 0.300397382099 0.366813160548 1.99443311341 ------------------------------------------------ 6 20.7940103927 -1.18292577645 0.135748344237 6 16.2553748543 1.32561650568 1.898358840442E-02 6 18.5653398548 -2.54782901355 0.185991958815 6 20.7714899222 1.43194635192 8.119491494154E-02 6 18.4881809521 2.68752983337 1.268047644927E-02 6 16.2816292072 -1.28621992460 0.119293218161 1 18.6330826801 -4.56430368467 0.320494210942 1 22.5176825572 2.45010794741 0.136961916771 1 18.4044365481 4.70774521966 -2.810073710092E-02 1 14.5338256999 -2.29576106594 0.160475355254 16 23.6871881374 -2.78742501086 0.142668366748 8 25.5411157417 -1.09148804236 1.14525598407 8 23.2417958312 -5.23383132605 1.20898679380 7 24.3589360690 -3.20370291968 -2.78991772878 1 23.9091509095 -4.82809819444 -3.64057141352 1 25.4806790933 -1.97605258766 -3.68426382740 6 13.8540126043 2.76296861394 -5.303453877654E-02 8 11.8120703378 1.25321399795 -2.008307004224E-02 6 9.29901118039 2.40045989565 -6.905102121977E-02 1 9.10783205313 3.63690786172 1.54345602431 1 9.11551718001 3.51245649883 -1.77073227684 6 7.41759711942 0.225163913710 8.381954772778E-03 1 7.75164296187 -0.869303738938 1.70652575015 1 7.75918159098 -0.994644284689 -1.60061304784 8 13.7086109469 5.03734953143 -0.135183415616 6 4.67345055952 1.19177646373 -3.443655708758E-02 1 4.36347393069 2.30467041402 -1.73186035831 1 4.35593551642 2.42824308851 1.57363269202 6 2.73979046465 -0.982603093803 4.252073111888E-02 1 3.05064854136 -2.21942573316 -1.56427419659 1 3.04356406783 -2.09606747732 1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 1.08637600396 -1.70287631133 1 -0.357289139629 1.20966193729 1.61602453331 1 -1.33734281519 -1.55130517970 5.488380719168E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide ------------------------------------------------ 6 22.5771469666 -1.15315062242 1.33850011954 6 17.8425169573 0.576156120662 -2.234632623383E-03 6 21.1633719312 -2.48100690435 -0.409962720559 6 21.6107089723 0.989908679563 2.48228696960 6 19.2440933876 1.84630992232 1.80831765324 6 18.7957098516 -1.60947522179 -1.08290543351 1 21.8946454585 -4.19945910018 -1.18536236676 1 22.6855831307 1.93339152381 3.91236744583 1 18.4339240240 3.48182972505 2.67523222275 1 17.7008464917 -2.68987866802 -2.39737300535 16 25.6065323789 -2.21318301591 2.12963917739 8 26.1459122384 -1.31654885736 4.62396311682 8 25.7256214254 -4.83779591130 1.48007485887 7 27.4751893457 -0.743706108843 0.237803865057 1 28.0301701289 -1.56579060238 -1.36866835464 1 28.3270991466 0.844667304544 0.800499116961 6 15.2894950371 1.66650661716 -0.597501874580 8 14.3687896107 3.29889550467 0.754640571509 7 14.1000853631 0.805668522375 -2.68023465397 1 14.9377893462 -0.404137958512 -3.84561620167 6 11.5717591707 1.74173503480 -3.34228248627 1 11.5333026393 3.75907383560 -3.02446283844 1 11.2783293185 1.38337013554 -5.33468474421 6 9.48677589010 0.474256852886 -1.76614598946 1 9.86157341390 0.860340863107 0.208498546579 1 9.56627349941 -1.55562313317 -2.04857411438 6 6.84855323045 1.47113086062 -2.48064608058 1 6.79648913596 3.50501120231 -2.20511689137 1 6.49229173351 1.11341496630 -4.47217285833 6 4.73751179529 0.241051054790 -0.898179482966 1 5.09253015610 0.596968801207 1.09184063865 1 4.78211518922 -1.79347499883 -1.17152183930 6 2.09502690272 1.24324747214 -1.59513297750 1 2.05024617966 3.27578983933 -1.31947880152 1 1.74096952081 0.890659058047 -3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 -2.03079721447 -0.281447018883 1 -1.84622701379 0.726603423243 -0.512706719913 1 0.300397382099 0.366813160548 1.99443311341 ------------------------------------------------ 6 22.6680723895 -1.90654821224 0.175233423843 6 18.4884955220 1.16205594440 2.429127256041E-02 6 20.2830274345 -2.97597725977 0.173664688758 6 22.9799650421 0.690079737778 0.155208703405 6 20.8766221032 2.22748679265 6.903817015508E-02 6 18.1799381157 -1.43239889865 8.995095951044E-02 1 20.0909835172 -4.98607533718 0.281845826277 1 24.8405388049 1.47638787062 0.250726882769 1 21.0517072441 4.24227251958 5.371272626672E-02 1 16.3172055949 -2.21104024810 9.170563306660E-02 16 25.3324936821 -3.86769909134 0.204282249485 8 27.3689282330 -2.43608131514 1.26337330774 8 24.5588648910 -6.25073611663 1.22544756910 7 25.9991456410 -4.32704671165 -2.72259774632 1 25.3514763748 -5.86285263510 -3.60932921947 1 27.2925393220 -3.24838521296 -3.57606690334 6 16.2916230451 2.89540499983 -6.179565244721E-02 8 14.0727663740 1.65964926922 -7.242285012777E-02 6 11.7286122162 3.12131087053 -0.129207796905 1 11.6916371367 4.36862899705 1.48585984781 1 11.6980732731 4.25127283221 -1.82879684924 6 9.58109439663 1.20776499556 -6.511610601119E-02 1 9.76756866224 7.139861485579E-02 1.62808855633 1 9.76377736159 -3.875539761361E-02 -1.67952200771 8 16.4397777482 5.17051756224 -0.117582340473 6 6.98540215161 2.52323506137 -0.105275847922 1 6.82580399210 3.67429399210 -1.79800400123 1 6.83170567671 3.78372128405 1.50810456154 6 4.78702881724 0.616612023999 -3.768403587990E-02 1 4.93145580826 -0.642205670084 -1.65293843334 1 4.94358499840 -0.538158692436 1.65236070615 6 2.18592326697 1.92237034783 -6.880796847135E-02 1 2.02940000857 3.07742276656 -1.75724206468 1 2.04230086267 3.18049871305 1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 -1.24972460005 -1.62283624211 1 -1.81555813970 0.949604486281 -2.171294654113E-02 1 0.101559387270 -1.14661307089 1.69643499199 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide ------------------------------------------------ 6 22.5771469666 -1.15315062242 1.33850011954 6 17.8425169573 0.576156120662 -2.234632623383E-03 6 21.1633719312 -2.48100690435 -0.409962720559 6 21.6107089723 0.989908679563 2.48228696960 6 19.2440933876 1.84630992232 1.80831765324 6 18.7957098516 -1.60947522179 -1.08290543351 1 21.8946454585 -4.19945910018 -1.18536236676 1 22.6855831307 1.93339152381 3.91236744583 1 18.4339240240 3.48182972505 2.67523222275 1 17.7008464917 -2.68987866802 -2.39737300535 16 25.6065323789 -2.21318301591 2.12963917739 8 26.1459122384 -1.31654885736 4.62396311682 8 25.7256214254 -4.83779591130 1.48007485887 7 27.4751893457 -0.743706108843 0.237803865057 1 28.0301701289 -1.56579060238 -1.36866835464 1 28.3270991466 0.844667304544 0.800499116961 6 15.2894950371 1.66650661716 -0.597501874580 8 14.3687896107 3.29889550467 0.754640571509 7 14.1000853631 0.805668522375 -2.68023465397 1 14.9377893462 -0.404137958512 -3.84561620167 6 11.5717591707 1.74173503480 -3.34228248627 1 11.5333026393 3.75907383560 -3.02446283844 1 11.2783293185 1.38337013554 -5.33468474421 6 9.48677589010 0.474256852886 -1.76614598946 1 9.86157341390 0.860340863107 0.208498546579 1 9.56627349941 -1.55562313317 -2.04857411438 6 6.84855323045 1.47113086062 -2.48064608058 1 6.79648913596 3.50501120231 -2.20511689137 1 6.49229173351 1.11341496630 -4.47217285833 6 4.73751179529 0.241051054790 -0.898179482966 1 5.09253015610 0.596968801207 1.09184063865 1 4.78211518922 -1.79347499883 -1.17152183930 6 2.09502690272 1.24324747214 -1.59513297750 1 2.05024617966 3.27578983933 -1.31947880152 1 1.74096952081 0.890659058047 -3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 -2.03079721447 -0.281447018883 1 -1.84622701379 0.726603423243 -0.512706719913 1 0.300397382099 0.366813160548 1.99443311341 ------------------------------------------------ 6 12.2734251286 0.428907088210 -3.130417300445E-02 6 7.16512558575 -0.605433656762 -0.183825719733 6 10.5713708299 2.37495748345 -0.399070980710 6 11.4474717344 -2.04279012262 0.176766780326 6 8.89344536670 -2.55194533980 9.586430260886E-02 6 8.01368059796 1.85426065145 -0.469957115655 1 11.2546633574 4.25736622768 -0.680203900338 1 12.7976479862 -3.53900012680 0.347716707934 1 8.19737481149 -4.44495294702 0.221953717805 1 6.71862383287 3.36899815646 -0.820375895056 16 15.5058925312 1.09988548484 0.139878058083 8 16.8322621021 -1.12838754297 -0.629587328980 8 15.8847585470 3.49504260894 -1.06180455980 7 16.0744500874 1.48770706952 3.09912365385 1 16.0632182407 3.22273094432 3.84357473139 1 16.7466970697 5.130502478586E-02 4.12393032748 6 4.42868586731 -1.35626047301 -0.252477484269 8 3.82938195486 -3.56208325758 -0.576406362775 7 2.71818896568 0.506140006335 9.280093005674E-02 1 3.27509805498 2.22468116302 0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 -1.90115557994 -0.684101664629 1 -0.922458262213 1.31460329988 -1.26745769935 1 -0.840700153890 0.156106480461 1.86072422508 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide ------------------------------------------------ 6 22.5771469666 -1.15315062242 1.33850011954 6 17.8425169573 0.576156120662 -2.234632623383E-03 6 21.1633719312 -2.48100690435 -0.409962720559 6 21.6107089723 0.989908679563 2.48228696960 6 19.2440933876 1.84630992232 1.80831765324 6 18.7957098516 -1.60947522179 -1.08290543351 1 21.8946454585 -4.19945910018 -1.18536236676 1 22.6855831307 1.93339152381 3.91236744583 1 18.4339240240 3.48182972505 2.67523222275 1 17.7008464917 -2.68987866802 -2.39737300535 16 25.6065323789 -2.21318301591 2.12963917739 8 26.1459122384 -1.31654885736 4.62396311682 8 25.7256214254 -4.83779591130 1.48007485887 7 27.4751893457 -0.743706108843 0.237803865057 1 28.0301701289 -1.56579060238 -1.36866835464 1 28.3270991466 0.844667304544 0.800499116961 6 15.2894950371 1.66650661716 -0.597501874580 8 14.3687896107 3.29889550467 0.754640571509 7 14.1000853631 0.805668522375 -2.68023465397 1 14.9377893462 -0.404137958512 -3.84561620167 6 11.5717591707 1.74173503480 -3.34228248627 1 11.5333026393 3.75907383560 -3.02446283844 1 11.2783293185 1.38337013554 -5.33468474421 6 9.48677589010 0.474256852886 -1.76614598946 1 9.86157341390 0.860340863107 0.208498546579 1 9.56627349941 -1.55562313317 -2.04857411438 6 6.84855323045 1.47113086062 -2.48064608058 1 6.79648913596 3.50501120231 -2.20511689137 1 6.49229173351 1.11341496630 -4.47217285833 6 4.73751179529 0.241051054790 -0.898179482966 1 5.09253015610 0.596968801207 1.09184063865 1 4.78211518922 -1.79347499883 -1.17152183930 6 2.09502690272 1.24324747214 -1.59513297750 1 2.05024617966 3.27578983933 -1.31947880152 1 1.74096952081 0.890659058047 -3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 -2.03079721447 -0.281447018883 1 -1.84622701379 0.726603423243 -0.512706719913 1 0.300397382099 0.366813160548 1.99443311341 ------------------------------------------------ 6 13.4991057155 -0.357473590767 0.713811663238 6 8.48076024177 0.503164540210 -0.416629781928 6 11.8631397624 -2.37874757162 0.473562136431 6 12.6300343135 2.09621222127 0.471550344568 6 10.1214739007 2.51780523488 -9.207153793854E-02 6 9.35258280198 -1.94453974915 -9.759660250163E-02 1 12.5459565012 -4.25659611519 0.784414249864 1 13.8986334476 3.64265027953 0.771481617840 1 9.38607236031 4.39164092392 -0.267910179188 1 8.09763925784 -3.52677510687 -0.221740185849 16 16.6935460046 -0.912646421298 1.35805736093 8 17.6544840841 1.28364835574 2.61076734769 8 16.8676643394 -3.38662077444 2.44146121239 7 18.0366372567 -1.03700758771 -1.36404066179 1 18.3163089429 -2.70480564337 -2.20359468998 1 18.8696549651 0.501492704799 -2.07432409737 6 5.78952802473 1.16981982693 -1.02631101775 8 5.04502030288 3.34753860849 -0.814795268017 7 4.26922563055 -0.704156458501 -1.84300557024 1 4.93783248921 -2.42933031646 -2.15895801923 6 1.59945609057 -0.196996634022 -2.41475962510 1 1.48860461593 1.55437999117 -3.45794673312 1 0.926691554047 -1.71487444573 -3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 -1.73213272312 1.08507996536 1 -1.96325947579 0.346439546764 -0.473696207925 1 0.684941159121 1.55321650721 1.13775889828 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide ------------------------------------------------ 6 22.5771469666 -1.15315062242 1.33850011954 6 17.8425169573 0.576156120662 -2.234632623383E-03 6 21.1633719312 -2.48100690435 -0.409962720559 6 21.6107089723 0.989908679563 2.48228696960 6 19.2440933876 1.84630992232 1.80831765324 6 18.7957098516 -1.60947522179 -1.08290543351 1 21.8946454585 -4.19945910018 -1.18536236676 1 22.6855831307 1.93339152381 3.91236744583 1 18.4339240240 3.48182972505 2.67523222275 1 17.7008464917 -2.68987866802 -2.39737300535 16 25.6065323789 -2.21318301591 2.12963917739 8 26.1459122384 -1.31654885736 4.62396311682 8 25.7256214254 -4.83779591130 1.48007485887 7 27.4751893457 -0.743706108843 0.237803865057 1 28.0301701289 -1.56579060238 -1.36866835464 1 28.3270991466 0.844667304544 0.800499116961 6 15.2894950371 1.66650661716 -0.597501874580 8 14.3687896107 3.29889550467 0.754640571509 7 14.1000853631 0.805668522375 -2.68023465397 1 14.9377893462 -0.404137958512 -3.84561620167 6 11.5717591707 1.74173503480 -3.34228248627 1 11.5333026393 3.75907383560 -3.02446283844 1 11.2783293185 1.38337013554 -5.33468474421 6 9.48677589010 0.474256852886 -1.76614598946 1 9.86157341390 0.860340863107 0.208498546579 1 9.56627349941 -1.55562313317 -2.04857411438 6 6.84855323045 1.47113086062 -2.48064608058 1 6.79648913596 3.50501120231 -2.20511689137 1 6.49229173351 1.11341496630 -4.47217285833 6 4.73751179529 0.241051054790 -0.898179482966 1 5.09253015610 0.596968801207 1.09184063865 1 4.78211518922 -1.79347499883 -1.17152183930 6 2.09502690272 1.24324747214 -1.59513297750 1 2.05024617966 3.27578983933 -1.31947880152 1 1.74096952081 0.890659058047 -3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 -2.03079721447 -0.281447018883 1 -1.84622701379 0.726603423243 -0.512706719913 1 0.300397382099 0.366813160548 1.99443311341 ------------------------------------------------ 6 16.3895792015 0.240489114104 -0.536193806704 6 11.2920888992 -0.451096170868 0.326090712247 6 14.8194157858 2.31710236513 -0.332180772567 6 15.4194231089 -2.18266311147 -0.390199489610 6 12.8721086867 -2.51961306172 4.014493484245E-02 6 12.2689440408 1.96736827272 0.104588496551 1 15.5860110543 4.17358955286 -0.566758904214 1 16.6431929451 -3.77015985899 -0.660657202547 1 12.0602052934 -4.36724803133 0.139997105688 1 11.0701659350 3.59425419512 0.203144347206 16 19.6304263353 0.686794962887 -1.01096050120 8 20.5702877543 -1.51578267698 -2.26860480338 8 19.9498684877 3.17604514588 -2.02400342944 7 20.8410111234 0.697292062619 1.77517976903 1 21.1380020961 2.33317949807 2.66979007743 1 21.5834993494 -0.887153761337 2.48491793384 6 8.55072081282 -1.02933075625 0.787372576289 8 7.74481307558 -3.17762575485 0.511396947249 7 7.05397038251 0.888627903207 1.54546896295 1 7.76234008752 2.58922394741 1.90477240945 6 4.34412151772 0.471267660613 1.97617977221 1 4.11567022133 -1.31564616149 2.93907082096 1 3.66918162500 1.96785234101 3.19655760703 6 2.83322401463 0.431124044979 -0.504279368481 1 3.11335731365 2.20436047481 -1.49304292078 1 3.57440415444 -1.07510116992 -1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 1.49697720468 1.17000519138 1 -0.298267921192 -1.78626047228 0.960482973300 1 -1.05317079190 -4.110766263255E-02 -1.75580559418 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide ------------------------------------------------ 6 22.5771469666 -1.15315062242 1.33850011954 6 17.8425169573 0.576156120662 -2.234632623383E-03 6 21.1633719312 -2.48100690435 -0.409962720559 6 21.6107089723 0.989908679563 2.48228696960 6 19.2440933876 1.84630992232 1.80831765324 6 18.7957098516 -1.60947522179 -1.08290543351 1 21.8946454585 -4.19945910018 -1.18536236676 1 22.6855831307 1.93339152381 3.91236744583 1 18.4339240240 3.48182972505 2.67523222275 1 17.7008464917 -2.68987866802 -2.39737300535 16 25.6065323789 -2.21318301591 2.12963917739 8 26.1459122384 -1.31654885736 4.62396311682 8 25.7256214254 -4.83779591130 1.48007485887 7 27.4751893457 -0.743706108843 0.237803865057 1 28.0301701289 -1.56579060238 -1.36866835464 1 28.3270991466 0.844667304544 0.800499116961 6 15.2894950371 1.66650661716 -0.597501874580 8 14.3687896107 3.29889550467 0.754640571509 7 14.1000853631 0.805668522375 -2.68023465397 1 14.9377893462 -0.404137958512 -3.84561620167 6 11.5717591707 1.74173503480 -3.34228248627 1 11.5333026393 3.75907383560 -3.02446283844 1 11.2783293185 1.38337013554 -5.33468474421 6 9.48677589010 0.474256852886 -1.76614598946 1 9.86157341390 0.860340863107 0.208498546579 1 9.56627349941 -1.55562313317 -2.04857411438 6 6.84855323045 1.47113086062 -2.48064608058 1 6.79648913596 3.50501120231 -2.20511689137 1 6.49229173351 1.11341496630 -4.47217285833 6 4.73751179529 0.241051054790 -0.898179482966 1 5.09253015610 0.596968801207 1.09184063865 1 4.78211518922 -1.79347499883 -1.17152183930 6 2.09502690272 1.24324747214 -1.59513297750 1 2.05024617966 3.27578983933 -1.31947880152 1 1.74096952081 0.890659058047 -3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 -2.03079721447 -0.281447018883 1 -1.84622701379 0.726603423243 -0.512706719913 1 0.300397382099 0.366813160548 1.99443311341 ------------------------------------------------ 6 17.9683881599 -0.297292077107 1.27536857331 6 13.1074956167 0.472207080671 -0.453228519305 6 16.4795229986 -2.34875635930 0.647864180363 6 17.0206311288 2.13415723988 1.11906109396 6 14.5917090576 2.50997045525 0.254800853982 6 14.0483817764 -1.95969349025 -0.221879028027 1 17.2064313178 -4.21995575715 0.891477750401 1 18.1611556206 3.69459587591 1.71498801728 1 13.7960455627 4.36328224970 0.132995603972 1 12.9022737548 -3.57153468866 -0.648336550217 16 21.0720806852 -0.788022958085 2.30216806175 8 21.7468110653 1.31897174983 3.85840867623 8 21.2227851157 -3.34246112332 3.18367143395 7 22.7709964146 -0.611425397042 -0.210357613229 1 23.2419454469 -2.18327885030 -1.14424461781 1 23.6155189330 1.01555484106 -0.663326749229 6 10.4913649952 1.09295624704 -1.36656090135 8 9.63574908684 3.22390935997 -1.10529668512 7 9.16801166064 -0.764206510305 -2.50274977654 1 9.93546118641 -2.44582902745 -2.82792804056 6 6.57752127994 -0.303665749238 -3.38789268707 1 6.51903031968 1.54105374663 -4.26306789461 1 6.14310735722 -1.71711069845 -4.80129056636 6 4.64548715274 -0.408008321980 -1.22155256882 1 4.74877437287 -2.24262500055 -0.310278321539 1 5.15722580814 1.01799017637 0.154647286614 6 1.93810690142 7.135985398158E-02 -2.17182509407 1 1.44127945712 -1.34174421826 -3.57579700736 1 1.85954730813 1.90266503311 -3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 -1.83021062745 0.923376785869 1 -1.89573167271 0.347838378411 -0.695134146311 1 0.441627040364 1.42860412068 1.40142839635 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide ------------------------------------------------ 6 22.5771469666 -1.15315062242 1.33850011954 6 17.8425169573 0.576156120662 -2.234632623383E-03 6 21.1633719312 -2.48100690435 -0.409962720559 6 21.6107089723 0.989908679563 2.48228696960 6 19.2440933876 1.84630992232 1.80831765324 6 18.7957098516 -1.60947522179 -1.08290543351 1 21.8946454585 -4.19945910018 -1.18536236676 1 22.6855831307 1.93339152381 3.91236744583 1 18.4339240240 3.48182972505 2.67523222275 1 17.7008464917 -2.68987866802 -2.39737300535 16 25.6065323789 -2.21318301591 2.12963917739 8 26.1459122384 -1.31654885736 4.62396311682 8 25.7256214254 -4.83779591130 1.48007485887 7 27.4751893457 -0.743706108843 0.237803865057 1 28.0301701289 -1.56579060238 -1.36866835464 1 28.3270991466 0.844667304544 0.800499116961 6 15.2894950371 1.66650661716 -0.597501874580 8 14.3687896107 3.29889550467 0.754640571509 7 14.1000853631 0.805668522375 -2.68023465397 1 14.9377893462 -0.404137958512 -3.84561620167 6 11.5717591707 1.74173503480 -3.34228248627 1 11.5333026393 3.75907383560 -3.02446283844 1 11.2783293185 1.38337013554 -5.33468474421 6 9.48677589010 0.474256852886 -1.76614598946 1 9.86157341390 0.860340863107 0.208498546579 1 9.56627349941 -1.55562313317 -2.04857411438 6 6.84855323045 1.47113086062 -2.48064608058 1 6.79648913596 3.50501120231 -2.20511689137 1 6.49229173351 1.11341496630 -4.47217285833 6 4.73751179529 0.241051054790 -0.898179482966 1 5.09253015610 0.596968801207 1.09184063865 1 4.78211518922 -1.79347499883 -1.17152183930 6 2.09502690272 1.24324747214 -1.59513297750 1 2.05024617966 3.27578983933 -1.31947880152 1 1.74096952081 0.890659058047 -3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 -2.03079721447 -0.281447018883 1 -1.84622701379 0.726603423243 -0.512706719913 1 0.300397382099 0.366813160548 1.99443311341 ------------------------------------------------ 6 20.7991290262 -0.173784562617 0.967430943750 6 15.8208872142 0.493809018334 -0.438608973922 6 19.3262977014 -2.25396162951 0.398797961368 6 19.7814511456 2.23370706654 0.914828584962 6 17.2935652430 2.55864272562 0.212496983470 6 16.8360353316 -1.91574159282 -0.309779724471 1 20.1142731917 -4.10895290340 0.564237775091 1 20.9173363920 3.81385503923 1.46592508350 1 16.4442776257 4.39176179105 0.176203941180 1 15.7049640512 -3.54969525139 -0.689919799457 16 23.9730508168 -0.598035781202 1.78812191880 8 24.6931739735 1.50517256805 3.32907555178 8 24.2435498230 -3.15901002899 2.62060021432 7 25.5033852023 -0.345442345150 -0.824002123731 1 25.9537944258 -1.89269407830 -1.80776047178 1 26.2758209659 1.30859530159 -1.30662787836 6 13.1364605614 1.05636550436 -1.17304363784 8 12.2342106329 3.15067883783 -0.798066467619 7 11.8045299533 -0.811050923403 -2.28280920599 1 12.6074301426 -2.45211797021 -2.71333127911 6 9.14976160456 -0.415244685406 -2.99139374910 1 8.97576642824 1.45199356268 -3.80070440505 1 8.67465458601 -1.79959917137 -4.42036175613 6 7.36177114450 -0.653459671476 -0.714423221458 1 7.91441927685 0.744818521689 0.674421622847 1 7.58140029875 -2.51170351436 0.125580462120 6 4.58736232398 -0.234912622601 -1.48206692652 1 4.39235199539 1.62338779407 -2.33305194788 1 4.04706318167 -1.61793167812 -2.90215796291 6 2.76982943896 -0.437731877559 0.782841872202 1 3.30844365759 0.941827465806 2.20173367200 1 2.95663454185 -2.29447008586 1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 1.86570407362 -0.817672243790 1 -1.25343256978 -0.149457481471 1.61416779080 1 -0.583961285311 -1.38598079582 -1.39357136739 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 25.3713425036 -1.29078949634 0.355162756323 6 20.4999091352 0.573560077356 0.364133120434 6 23.9743069632 -1.31357807398 -1.85095938988 6 24.3252994282 -0.415369237348 2.58530943683 6 21.8910263201 0.513406735149 2.58161342663 6 21.5377263326 -0.374782138985 -1.84407022859 1 24.7750487130 -2.10650345747 -3.53005203392 1 25.3946688774 -0.512004923803 4.29936626465 1 21.0202154713 1.18149772339 4.27815360199 1 20.4612990421 -0.457447519092 -3.55525533127 16 28.4826686810 -2.40691226463 0.326907266351 8 29.0575208275 -3.24882881774 2.83235788148 8 28.7292616886 -4.02045594705 -1.83191149933 7 30.1958247445 4.659798221744E-02 -0.196814783951 1 30.7416402004 0.458650792246 -1.95662063897 1 30.9742895925 0.978036517171 1.24950605113 6 17.8685695062 1.62069402182 0.569037022625 8 16.9121337151 1.98640308405 2.64084945189 7 16.6475838091 2.16728923214 -1.59968433242 1 17.5026399508 2.00396757565 -3.26264024246 6 14.0471178299 3.13731508438 -1.54317890412 1 13.9081475080 4.50575166986 -3.317958501066E-02 1 13.6971642834 4.08287469466 -3.32301791741 6 12.0992929940 1.02487542427 -1.11703967027 1 12.5281848996 0.117796579141 0.666940159516 1 12.2815924673 -0.373262443907 -2.60660342009 6 9.38368726187 2.06734240350 -1.06370511801 1 9.22904530181 3.47641655650 0.421514153709 1 8.97012908132 3.00584669183 -2.84391203155 6 7.40761134032 -2.081885259197E-02 -0.604515659145 1 7.82188979387 -0.959523171789 1.17316216804 1 7.55506462234 -1.43154567156 -2.08911482546 6 4.68976064388 1.01856155618 -0.532987082800 1 4.54337076001 2.42907817719 0.951893386632 1 4.27548433984 1.96002534321 -2.31043907566 6 2.70945778986 -1.06451077238 -7.050369403612E-02 1 2.85286386444 -2.47488702954 -1.55389920638 1 3.12196207310 -2.00541446888 1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 0.913671943654 -1.77644025194 1 -0.190421763470 1.38528862659 1.49931725663 1 -1.36920746468 -1.48906274881 0.327953965063 ------------------------------------------------ 6 5.04401540573 -5.065785560124E-17 8.565768416162E-02 6 9.27990108396 -9.396277336371E-17 -2.94283641892 6 6.11045552513 -2.27247789332 -0.644730598780 6 6.11045552513 2.27247789332 -0.644730598780 6 8.22908048709 2.26870089799 -2.17155776959 6 8.22908048709 -2.26870089799 -2.17155776959 1 5.30807717985 -4.00751998316 1.696942951703E-02 1 5.30807717985 4.00751998316 1.696942951703E-02 1 9.06580730279 4.02284755065 -2.73828333892 1 9.06580730279 -4.02284755065 -2.73828333892 1 10.9268739609 -1.108006638944E-16 -4.12165702328 16 2.32566022845 -2.288454205577E-17 1.95862643609 8 2.24799399215 2.36940193927 3.26556451771 8 2.24799399215 -2.36940193927 3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 -1.62837329388 -0.493096431600 1 -0.817594738155 1.62837329388 -0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 25.3713425036 -1.29078949634 0.355162756323 6 20.4999091352 0.573560077356 0.364133120434 6 23.9743069632 -1.31357807398 -1.85095938988 6 24.3252994282 -0.415369237348 2.58530943683 6 21.8910263201 0.513406735149 2.58161342663 6 21.5377263326 -0.374782138985 -1.84407022859 1 24.7750487130 -2.10650345747 -3.53005203392 1 25.3946688774 -0.512004923803 4.29936626465 1 21.0202154713 1.18149772339 4.27815360199 1 20.4612990421 -0.457447519092 -3.55525533127 16 28.4826686810 -2.40691226463 0.326907266351 8 29.0575208275 -3.24882881774 2.83235788148 8 28.7292616886 -4.02045594705 -1.83191149933 7 30.1958247445 4.659798221744E-02 -0.196814783951 1 30.7416402004 0.458650792246 -1.95662063897 1 30.9742895925 0.978036517171 1.24950605113 6 17.8685695062 1.62069402182 0.569037022625 8 16.9121337151 1.98640308405 2.64084945189 7 16.6475838091 2.16728923214 -1.59968433242 1 17.5026399508 2.00396757565 -3.26264024246 6 14.0471178299 3.13731508438 -1.54317890412 1 13.9081475080 4.50575166986 -3.317958501066E-02 1 13.6971642834 4.08287469466 -3.32301791741 6 12.0992929940 1.02487542427 -1.11703967027 1 12.5281848996 0.117796579141 0.666940159516 1 12.2815924673 -0.373262443907 -2.60660342009 6 9.38368726187 2.06734240350 -1.06370511801 1 9.22904530181 3.47641655650 0.421514153709 1 8.97012908132 3.00584669183 -2.84391203155 6 7.40761134032 -2.081885259197E-02 -0.604515659145 1 7.82188979387 -0.959523171789 1.17316216804 1 7.55506462234 -1.43154567156 -2.08911482546 6 4.68976064388 1.01856155618 -0.532987082800 1 4.54337076001 2.42907817719 0.951893386632 1 4.27548433984 1.96002534321 -2.31043907566 6 2.70945778986 -1.06451077238 -7.050369403612E-02 1 2.85286386444 -2.47488702954 -1.55389920638 1 3.12196207310 -2.00541446888 1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 0.913671943654 -1.77644025194 1 -0.190421763470 1.38528862659 1.49931725663 1 -1.36920746468 -1.48906274881 0.327953965063 ------------------------------------------------ 6 8.11007909745 -8.556435899195E-18 -0.100897097935 6 2.86329951331 -2.922536611154E-18 -7.349736953064E-02 6 6.80777063774 -2.26567639154 -0.121232299609 6 6.80777063774 2.26567639154 -0.121232299609 6 4.19897121896 2.25839811190 -9.895828809266E-02 6 4.19897121896 -2.25839811190 -9.895828809266E-02 1 7.83682406515 -4.00573551491 -0.201208431763 1 7.83682406515 4.00573551491 -0.201208431763 1 3.19435364603 4.01778780932 -0.125815986880 1 3.19435364603 -4.01778780932 -0.125815986880 16 11.4059109298 -1.222287901647E-17 -6.903234852523E-02 8 12.2226557176 2.36966347735 -1.09351831769 8 12.2226557176 -2.36966347735 -1.09351831769 7 12.1903871090 -2.070990068685E-17 2.87084462677 1 12.5792272181 -1.62848573258 3.74230825804 1 12.5792272181 1.62848573258 3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 -4.336273740756E-18 1.94437378897 1 -0.758564487207 1.65923610975 -0.927043031519 1 -0.758564487207 -1.65923610975 -0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 25.3713425036 -1.29078949634 0.355162756323 6 20.4999091352 0.573560077356 0.364133120434 6 23.9743069632 -1.31357807398 -1.85095938988 6 24.3252994282 -0.415369237348 2.58530943683 6 21.8910263201 0.513406735149 2.58161342663 6 21.5377263326 -0.374782138985 -1.84407022859 1 24.7750487130 -2.10650345747 -3.53005203392 1 25.3946688774 -0.512004923803 4.29936626465 1 21.0202154713 1.18149772339 4.27815360199 1 20.4612990421 -0.457447519092 -3.55525533127 16 28.4826686810 -2.40691226463 0.326907266351 8 29.0575208275 -3.24882881774 2.83235788148 8 28.7292616886 -4.02045594705 -1.83191149933 7 30.1958247445 4.659798221744E-02 -0.196814783951 1 30.7416402004 0.458650792246 -1.95662063897 1 30.9742895925 0.978036517171 1.24950605113 6 17.8685695062 1.62069402182 0.569037022625 8 16.9121337151 1.98640308405 2.64084945189 7 16.6475838091 2.16728923214 -1.59968433242 1 17.5026399508 2.00396757565 -3.26264024246 6 14.0471178299 3.13731508438 -1.54317890412 1 13.9081475080 4.50575166986 -3.317958501066E-02 1 13.6971642834 4.08287469466 -3.32301791741 6 12.0992929940 1.02487542427 -1.11703967027 1 12.5281848996 0.117796579141 0.666940159516 1 12.2815924673 -0.373262443907 -2.60660342009 6 9.38368726187 2.06734240350 -1.06370511801 1 9.22904530181 3.47641655650 0.421514153709 1 8.97012908132 3.00584669183 -2.84391203155 6 7.40761134032 -2.081885259197E-02 -0.604515659145 1 7.82188979387 -0.959523171789 1.17316216804 1 7.55506462234 -1.43154567156 -2.08911482546 6 4.68976064388 1.01856155618 -0.532987082800 1 4.54337076001 2.42907817719 0.951893386632 1 4.27548433984 1.96002534321 -2.31043907566 6 2.70945778986 -1.06451077238 -7.050369403612E-02 1 2.85286386444 -2.47488702954 -1.55389920638 1 3.12196207310 -2.00541446888 1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 0.913671943654 -1.77644025194 1 -0.190421763470 1.38528862659 1.49931725663 1 -1.36920746468 -1.48906274881 0.327953965063 ------------------------------------------------ 6 9.49515614095 -1.986230634504E-17 -0.330909318726 6 4.54766506655 1.418482302241E-17 1.41449070261 6 8.25938767444 -2.26624765571 7.914581718090E-02 6 8.25938767444 2.26624765571 7.914581718090E-02 6 5.80247435955 2.25843288285 0.956589914867 6 5.80247435955 -2.25843288285 0.956589914867 1 9.20891937494 -4.00630432243 -0.325801090800 1 9.20891937494 4.00630432243 -0.325801090800 1 4.84800788582 4.01788928760 1.27432519389 1 4.84800788582 -4.01788928760 1.27432519389 16 12.6215076530 -4.047871219384E-17 -1.37421975164 8 13.0597966465 2.36964987132 -2.60912294465 8 13.0597966465 -2.36964987132 -2.60912294465 7 14.3219760733 -5.129921083899E-18 1.14895839935 1 14.9723537348 -1.62851785792 1.84712919698 1 14.9723537348 1.62851785792 1.84712919698 6 1.82011448549 3.162508651201E-17 2.28845439361 1 1.46450096442 1.65231782291 3.44535547264 1 1.46450096442 -1.65231782291 3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 1.65855864299 -1.15861699465 1 0.312880607522 -1.65855864299 -1.15861699465 1 -1.95068478995 1.250653597013E-17 0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 25.3713425036 -1.29078949634 0.355162756323 6 20.4999091352 0.573560077356 0.364133120434 6 23.9743069632 -1.31357807398 -1.85095938988 6 24.3252994282 -0.415369237348 2.58530943683 6 21.8910263201 0.513406735149 2.58161342663 6 21.5377263326 -0.374782138985 -1.84407022859 1 24.7750487130 -2.10650345747 -3.53005203392 1 25.3946688774 -0.512004923803 4.29936626465 1 21.0202154713 1.18149772339 4.27815360199 1 20.4612990421 -0.457447519092 -3.55525533127 16 28.4826686810 -2.40691226463 0.326907266351 8 29.0575208275 -3.24882881774 2.83235788148 8 28.7292616886 -4.02045594705 -1.83191149933 7 30.1958247445 4.659798221744E-02 -0.196814783951 1 30.7416402004 0.458650792246 -1.95662063897 1 30.9742895925 0.978036517171 1.24950605113 6 17.8685695062 1.62069402182 0.569037022625 8 16.9121337151 1.98640308405 2.64084945189 7 16.6475838091 2.16728923214 -1.59968433242 1 17.5026399508 2.00396757565 -3.26264024246 6 14.0471178299 3.13731508438 -1.54317890412 1 13.9081475080 4.50575166986 -3.317958501066E-02 1 13.6971642834 4.08287469466 -3.32301791741 6 12.0992929940 1.02487542427 -1.11703967027 1 12.5281848996 0.117796579141 0.666940159516 1 12.2815924673 -0.373262443907 -2.60660342009 6 9.38368726187 2.06734240350 -1.06370511801 1 9.22904530181 3.47641655650 0.421514153709 1 8.97012908132 3.00584669183 -2.84391203155 6 7.40761134032 -2.081885259197E-02 -0.604515659145 1 7.82188979387 -0.959523171789 1.17316216804 1 7.55506462234 -1.43154567156 -2.08911482546 6 4.68976064388 1.01856155618 -0.532987082800 1 4.54337076001 2.42907817719 0.951893386632 1 4.27548433984 1.96002534321 -2.31043907566 6 2.70945778986 -1.06451077238 -7.050369403612E-02 1 2.85286386444 -2.47488702954 -1.55389920638 1 3.12196207310 -2.00541446888 1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 0.913671943654 -1.77644025194 1 -0.190421763470 1.38528862659 1.49931725663 1 -1.36920746468 -1.48906274881 0.327953965063 ------------------------------------------------ 6 12.3462848294 -8.276065163872E-20 -0.219629035968 6 7.27697590475 1.666425406161E-18 1.13352461031 6 11.0821729337 -2.26629036351 9.228879249722E-02 6 11.0821729337 2.26629036351 9.228879249722E-02 6 8.56408820998 2.25853587292 0.774654122839 6 8.56408820998 -2.25853587292 0.774654122839 1 12.0604999845 -4.00629846428 -0.237334526856 1 12.0604999845 4.00629846428 -0.237334526856 1 7.58747623906 4.01782409206 1.01660875510 1 7.58747623906 -4.01782409206 1.01660875510 16 15.5446672699 -1.106855929460E-18 -1.01482146618 8 16.0785895276 2.36961755701 -2.21160547802 8 16.0785895276 -2.36961755701 -2.21160547802 7 17.0423265084 2.516184840979E-18 1.63372129060 1 17.6356158799 -1.62852220429 2.38095755132 1 17.6356158799 1.62852220429 2.38095755132 6 4.48973225005 2.504801715792E-18 1.78668016231 1 4.03784923022 1.65364233185 2.91036104922 1 4.03784923022 -1.65364233185 2.91036104922 6 2.84178543494 -8.061817684800E-19 -0.630150435706 1 3.30689183592 1.64977444070 -1.75284818480 1 3.30689183592 -1.64977444070 -1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 1.66081705451 1.09295879416 1 -1.12447528227 -2.345093436379E-18 -1.71233470070 1 -0.500643208584 -1.66081705451 1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide ------------------------------------------------ 6 25.3713425036 -1.29078949634 0.355162756323 6 20.4999091352 0.573560077356 0.364133120434 6 23.9743069632 -1.31357807398 -1.85095938988 6 24.3252994282 -0.415369237348 2.58530943683 6 21.8910263201 0.513406735149 2.58161342663 6 21.5377263326 -0.374782138985 -1.84407022859 1 24.7750487130 -2.10650345747 -3.53005203392 1 25.3946688774 -0.512004923803 4.29936626465 1 21.0202154713 1.18149772339 4.27815360199 1 20.4612990421 -0.457447519092 -3.55525533127 16 28.4826686810 -2.40691226463 0.326907266351 8 29.0575208275 -3.24882881774 2.83235788148 8 28.7292616886 -4.02045594705 -1.83191149933 7 30.1958247445 4.659798221744E-02 -0.196814783951 1 30.7416402004 0.458650792246 -1.95662063897 1 30.9742895925 0.978036517171 1.24950605113 6 17.8685695062 1.62069402182 0.569037022625 8 16.9121337151 1.98640308405 2.64084945189 7 16.6475838091 2.16728923214 -1.59968433242 1 17.5026399508 2.00396757565 -3.26264024246 6 14.0471178299 3.13731508438 -1.54317890412 1 13.9081475080 4.50575166986 -3.317958501066E-02 1 13.6971642834 4.08287469466 -3.32301791741 6 12.0992929940 1.02487542427 -1.11703967027 1 12.5281848996 0.117796579141 0.666940159516 1 12.2815924673 -0.373262443907 -2.60660342009 6 9.38368726187 2.06734240350 -1.06370511801 1 9.22904530181 3.47641655650 0.421514153709 1 8.97012908132 3.00584669183 -2.84391203155 6 7.40761134032 -2.081885259197E-02 -0.604515659145 1 7.82188979387 -0.959523171789 1.17316216804 1 7.55506462234 -1.43154567156 -2.08911482546 6 4.68976064388 1.01856155618 -0.532987082800 1 4.54337076001 2.42907817719 0.951893386632 1 4.27548433984 1.96002534321 -2.31043907566 6 2.70945778986 -1.06451077238 -7.050369403612E-02 1 2.85286386444 -2.47488702954 -1.55389920638 1 3.12196207310 -2.00541446888 1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 0.913671943654 -1.77644025194 1 -0.190421763470 1.38528862659 1.49931725663 1 -1.36920746468 -1.48906274881 0.327953965063 ------------------------------------------------ 6 14.1238159113 1.214503673567E-17 -0.678437661017 6 9.44100667607 7.329180195868E-17 1.68836769331 6 12.9508759688 -2.26624992338 -0.112955994743 6 12.9508759688 2.26624992338 -0.112955994743 6 10.6269754875 2.25848844080 1.07270695836 6 10.6269754875 -2.25848844080 1.07270695836 1 13.8404298349 -4.00630337757 -0.636723693997 1 13.8404298349 4.00630337757 -0.636723693997 1 9.72086351835 4.01774604637 1.51016368205 1 9.72086351835 -4.01774604637 1.51016368205 16 17.0896510524 -2.469474469544E-17 -2.11542048055 8 17.3657436482 2.36962001365 -3.39654871916 8 17.3657436482 -2.36962001365 -3.39654871916 7 19.1011870389 4.944166890890E-17 0.167534197609 1 19.8356986120 -1.62853921182 0.776447021723 1 19.8356986120 1.62853921182 0.776447021723 6 6.84711615725 1.041405701228E-16 2.90008400935 1 6.63682781461 -1.65387609096 4.09248466188 1 6.63682781461 1.65387609096 4.09248466188 6 4.74105840551 3.748430357849E-17 0.870168924938 1 4.96583213621 -1.65095665328 -0.325145161310 1 4.96583213621 1.65095665328 -0.325145161310 6 2.07671001580 6.693452376398E-17 2.04129882743 1 1.86017810411 -1.65244972578 3.23844110052 1 1.86017810411 1.65244972578 3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 -1.66008648645 -1.19157111842 1 -1.86482588637 2.150045959666E-17 0.848869041688 1 0.161115980412 1.66008648645 -1.19157111842 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide --> 6-*- 6 (6)4-Am-Benzenesulfonamide ------------------------------------------------ 6 25.3713425036 -1.29078949634 0.355162756323 6 20.4999091352 0.573560077356 0.364133120434 6 23.9743069632 -1.31357807398 -1.85095938988 6 24.3252994282 -0.415369237348 2.58530943683 6 21.8910263201 0.513406735149 2.58161342663 6 21.5377263326 -0.374782138985 -1.84407022859 1 24.7750487130 -2.10650345747 -3.53005203392 1 25.3946688774 -0.512004923803 4.29936626465 1 21.0202154713 1.18149772339 4.27815360199 1 20.4612990421 -0.457447519092 -3.55525533127 16 28.4826686810 -2.40691226463 0.326907266351 8 29.0575208275 -3.24882881774 2.83235788148 8 28.7292616886 -4.02045594705 -1.83191149933 7 30.1958247445 4.659798221744E-02 -0.196814783951 1 30.7416402004 0.458650792246 -1.95662063897 1 30.9742895925 0.978036517171 1.24950605113 6 17.8685695062 1.62069402182 0.569037022625 8 16.9121337151 1.98640308405 2.64084945189 7 16.6475838091 2.16728923214 -1.59968433242 1 17.5026399508 2.00396757565 -3.26264024246 6 14.0471178299 3.13731508438 -1.54317890412 1 13.9081475080 4.50575166986 -3.317958501066E-02 1 13.6971642834 4.08287469466 -3.32301791741 6 12.0992929940 1.02487542427 -1.11703967027 1 12.5281848996 0.117796579141 0.666940159516 1 12.2815924673 -0.373262443907 -2.60660342009 6 9.38368726187 2.06734240350 -1.06370511801 1 9.22904530181 3.47641655650 0.421514153709 1 8.97012908132 3.00584669183 -2.84391203155 6 7.40761134032 -2.081885259197E-02 -0.604515659145 1 7.82188979387 -0.959523171789 1.17316216804 1 7.55506462234 -1.43154567156 -2.08911482546 6 4.68976064388 1.01856155618 -0.532987082800 1 4.54337076001 2.42907817719 0.951893386632 1 4.27548433984 1.96002534321 -2.31043907566 6 2.70945778986 -1.06451077238 -7.050369403612E-02 1 2.85286386444 -2.47488702954 -1.55389920638 1 3.12196207310 -2.00541446888 1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 0.913671943654 -1.77644025194 1 -0.190421763470 1.38528862659 1.49931725663 1 -1.36920746468 -1.48906274881 0.327953965063 ------------------------------------------------ 6 16.9068057473 -0.243177970445 1.059325119563E-16 6 12.0155875324 1.65600530852 7.874007219591E-16 6 15.7028346951 0.252939874960 2.26622819153 6 15.7028346951 0.252939874960 -2.26622819153 6 13.2672687790 1.18799231963 -2.25851621977 6 13.2672687790 1.18799231963 2.25851621977 1 16.6905927723 -4.935959543974E-02 4.00587781127 1 16.6905927723 -4.935959543974E-02 -4.00587781127 1 12.3418929399 1.58361797677 -4.01758126227 1 12.3418929399 1.58361797677 4.01758126227 16 19.9613139677 -1.48061075670 -3.396565444380E-16 8 21.0975033451 -0.827628604396 -2.36965497358 8 21.0975033451 -0.827628604396 2.36965497358 7 19.6140817394 -4.50363661503 -1.520890767875E-15 1 19.6563448244 -5.45686048237 1.62850009449 1 19.6563448244 -5.45686048237 -1.62850009449 6 9.31463490683 2.60509907624 1.124910972962E-15 1 8.98767928251 3.77103356608 1.65353820795 1 8.98767928251 3.77103356608 -1.65353820795 6 7.41754404250 0.378508099205 2.354035425308E-16 1 7.75886683358 -0.788097380015 1.65185162751 1 7.75886683358 -0.788097380015 -1.65185162751 6 4.65268631611 1.28701345345 5.563510498846E-16 1 4.32004736793 2.45842354097 1.65339251008 1 4.32004736793 2.45842354097 -1.65339251008 6 2.76072678768 -0.925807775628 -3.277337893163E-16 1 3.09073708924 -2.09665994535 1.65204135600 1 3.09073708924 -2.09665994535 -1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 1.14184653845 1.66034613480 1 -1.30590878374 -1.57901648689 -6.303379891292E-16 1 -0.377248445559 1.14184653845 -1.66034613480 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide ------------------------------------------------ 6 25.3713425036 -1.29078949634 0.355162756323 6 20.4999091352 0.573560077356 0.364133120434 6 23.9743069632 -1.31357807398 -1.85095938988 6 24.3252994282 -0.415369237348 2.58530943683 6 21.8910263201 0.513406735149 2.58161342663 6 21.5377263326 -0.374782138985 -1.84407022859 1 24.7750487130 -2.10650345747 -3.53005203392 1 25.3946688774 -0.512004923803 4.29936626465 1 21.0202154713 1.18149772339 4.27815360199 1 20.4612990421 -0.457447519092 -3.55525533127 16 28.4826686810 -2.40691226463 0.326907266351 8 29.0575208275 -3.24882881774 2.83235788148 8 28.7292616886 -4.02045594705 -1.83191149933 7 30.1958247445 4.659798221744E-02 -0.196814783951 1 30.7416402004 0.458650792246 -1.95662063897 1 30.9742895925 0.978036517171 1.24950605113 6 17.8685695062 1.62069402182 0.569037022625 8 16.9121337151 1.98640308405 2.64084945189 7 16.6475838091 2.16728923214 -1.59968433242 1 17.5026399508 2.00396757565 -3.26264024246 6 14.0471178299 3.13731508438 -1.54317890412 1 13.9081475080 4.50575166986 -3.317958501066E-02 1 13.6971642834 4.08287469466 -3.32301791741 6 12.0992929940 1.02487542427 -1.11703967027 1 12.5281848996 0.117796579141 0.666940159516 1 12.2815924673 -0.373262443907 -2.60660342009 6 9.38368726187 2.06734240350 -1.06370511801 1 9.22904530181 3.47641655650 0.421514153709 1 8.97012908132 3.00584669183 -2.84391203155 6 7.40761134032 -2.081885259197E-02 -0.604515659145 1 7.82188979387 -0.959523171789 1.17316216804 1 7.55506462234 -1.43154567156 -2.08911482546 6 4.68976064388 1.01856155618 -0.532987082800 1 4.54337076001 2.42907817719 0.951893386632 1 4.27548433984 1.96002534321 -2.31043907566 6 2.70945778986 -1.06451077238 -7.050369403612E-02 1 2.85286386444 -2.47488702954 -1.55389920638 1 3.12196207310 -2.00541446888 1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 0.913671943654 -1.77644025194 1 -0.190421763470 1.38528862659 1.49931725663 1 -1.36920746468 -1.48906274881 0.327953965063 ------------------------------------------------ 6 12.0127056291 0.467319191248 -0.111806432972 6 6.97352093600 -0.759917308701 -4.748266917407E-02 6 10.2217532895 2.37079219426 -0.152809003460 6 11.3033419938 -2.04980757052 -9.307700569057E-02 6 8.76972951282 -2.66113662451 -5.092383423729E-02 6 7.68607351310 1.75397861179 -0.112223563757 1 10.8183018721 4.29997421278 -0.259688127616 1 12.7207799808 -3.49060386186 -0.155267676093 1 8.15790328645 -4.58878364063 -3.776105769249E-02 1 6.26630294078 3.18887845369 -0.146456888627 16 15.2263520177 1.25494370756 -8.406950718910E-02 8 16.5763713396 -0.857729096636 -1.09992283794 8 15.4471228542 3.74394477194 -1.12115495093 7 15.9595091226 1.44681230628 2.85648386684 1 15.9368640683 3.12142107712 3.72820018659 1 16.7225609771 -3.868535428217E-02 3.73740008869 6 4.28110783217 -1.51706821998 -4.380793909740E-03 8 3.53735775286 -3.67127241182 4.627237069106E-02 8 2.70645115658 0.479140449071 -2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 -1.08656629775 -1.64022531142 1 -0.866069129495 1.83937203385 -2.906081667564E-02 1 -0.516390062658 -1.02531407580 1.68530034526 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide ------------------------------------------------ 6 25.3713425036 -1.29078949634 0.355162756323 6 20.4999091352 0.573560077356 0.364133120434 6 23.9743069632 -1.31357807398 -1.85095938988 6 24.3252994282 -0.415369237348 2.58530943683 6 21.8910263201 0.513406735149 2.58161342663 6 21.5377263326 -0.374782138985 -1.84407022859 1 24.7750487130 -2.10650345747 -3.53005203392 1 25.3946688774 -0.512004923803 4.29936626465 1 21.0202154713 1.18149772339 4.27815360199 1 20.4612990421 -0.457447519092 -3.55525533127 16 28.4826686810 -2.40691226463 0.326907266351 8 29.0575208275 -3.24882881774 2.83235788148 8 28.7292616886 -4.02045594705 -1.83191149933 7 30.1958247445 4.659798221744E-02 -0.196814783951 1 30.7416402004 0.458650792246 -1.95662063897 1 30.9742895925 0.978036517171 1.24950605113 6 17.8685695062 1.62069402182 0.569037022625 8 16.9121337151 1.98640308405 2.64084945189 7 16.6475838091 2.16728923214 -1.59968433242 1 17.5026399508 2.00396757565 -3.26264024246 6 14.0471178299 3.13731508438 -1.54317890412 1 13.9081475080 4.50575166986 -3.317958501066E-02 1 13.6971642834 4.08287469466 -3.32301791741 6 12.0992929940 1.02487542427 -1.11703967027 1 12.5281848996 0.117796579141 0.666940159516 1 12.2815924673 -0.373262443907 -2.60660342009 6 9.38368726187 2.06734240350 -1.06370511801 1 9.22904530181 3.47641655650 0.421514153709 1 8.97012908132 3.00584669183 -2.84391203155 6 7.40761134032 -2.081885259197E-02 -0.604515659145 1 7.82188979387 -0.959523171789 1.17316216804 1 7.55506462234 -1.43154567156 -2.08911482546 6 4.68976064388 1.01856155618 -0.532987082800 1 4.54337076001 2.42907817719 0.951893386632 1 4.27548433984 1.96002534321 -2.31043907566 6 2.70945778986 -1.06451077238 -7.050369403612E-02 1 2.85286386444 -2.47488702954 -1.55389920638 1 3.12196207310 -2.00541446888 1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 0.913671943654 -1.77644025194 1 -0.190421763470 1.38528862659 1.49931725663 1 -1.36920746468 -1.48906274881 0.327953965063 ------------------------------------------------ 6 9.25649635012 -1.80846527957 -9.292601243073E-02 6 4.49653007628 0.252386364964 -5.563329730033E-02 6 8.97661510100 0.790299344150 -0.119114341606 6 7.17209172246 -3.38798511785 -0.102169685012 6 4.78224687467 -2.34735739516 -7.329320901833E-02 6 6.58177520099 1.82758693433 -9.237860791359E-02 1 10.6170947155 1.96958871556 -0.204027651419 1 7.43391914542 -5.39176377246 -0.175377186833 1 3.13114524169 -3.51529832560 -8.157662744579E-02 1 6.31465409765 3.82860234946 -0.115984151186 16 12.2941652834 -3.11903583590 -4.829871274683E-02 8 12.1064542125 -5.60990047425 -1.08680327140 8 13.9812398042 -1.25851015147 -1.05437846650 7 12.9682120575 -3.43319864541 2.89600901229 1 13.9516579638 -2.09107340260 3.78830088073 1 12.6725674087 -5.08557002470 3.76041888038 6 1.89086902464 1.27466774715 -2.847109335790E-02 8 1.83775228380 3.81438709360 -3.668617006514E-02 6 -0.611334772331 5.09553939230 -2.759474634627E-02 1 -1.67193584771 4.49484752416 -1.66284241111 1 -1.63290597596 4.54650767572 1.65033477868 6 -2.628882640013E-02 7.90958602311 -7.826139859268E-02 1 1.04055063371 8.37091267308 -1.76016592182 1 1.08118978950 8.42305482102 1.56183569609 1 -1.76381943467 8.99262746496 -7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide ------------------------------------------------ 6 25.3713425036 -1.29078949634 0.355162756323 6 20.4999091352 0.573560077356 0.364133120434 6 23.9743069632 -1.31357807398 -1.85095938988 6 24.3252994282 -0.415369237348 2.58530943683 6 21.8910263201 0.513406735149 2.58161342663 6 21.5377263326 -0.374782138985 -1.84407022859 1 24.7750487130 -2.10650345747 -3.53005203392 1 25.3946688774 -0.512004923803 4.29936626465 1 21.0202154713 1.18149772339 4.27815360199 1 20.4612990421 -0.457447519092 -3.55525533127 16 28.4826686810 -2.40691226463 0.326907266351 8 29.0575208275 -3.24882881774 2.83235788148 8 28.7292616886 -4.02045594705 -1.83191149933 7 30.1958247445 4.659798221744E-02 -0.196814783951 1 30.7416402004 0.458650792246 -1.95662063897 1 30.9742895925 0.978036517171 1.24950605113 6 17.8685695062 1.62069402182 0.569037022625 8 16.9121337151 1.98640308405 2.64084945189 7 16.6475838091 2.16728923214 -1.59968433242 1 17.5026399508 2.00396757565 -3.26264024246 6 14.0471178299 3.13731508438 -1.54317890412 1 13.9081475080 4.50575166986 -3.317958501066E-02 1 13.6971642834 4.08287469466 -3.32301791741 6 12.0992929940 1.02487542427 -1.11703967027 1 12.5281848996 0.117796579141 0.666940159516 1 12.2815924673 -0.373262443907 -2.60660342009 6 9.38368726187 2.06734240350 -1.06370511801 1 9.22904530181 3.47641655650 0.421514153709 1 8.97012908132 3.00584669183 -2.84391203155 6 7.40761134032 -2.081885259197E-02 -0.604515659145 1 7.82188979387 -0.959523171789 1.17316216804 1 7.55506462234 -1.43154567156 -2.08911482546 6 4.68976064388 1.01856155618 -0.532987082800 1 4.54337076001 2.42907817719 0.951893386632 1 4.27548433984 1.96002534321 -2.31043907566 6 2.70945778986 -1.06451077238 -7.050369403612E-02 1 2.85286386444 -2.47488702954 -1.55389920638 1 3.12196207310 -2.00541446888 1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 0.913671943654 -1.77644025194 1 -0.190421763470 1.38528862659 1.49931725663 1 -1.36920746468 -1.48906274881 0.327953965063 ------------------------------------------------ 6 16.2691799750 -0.861123974289 0.131186883282 6 11.5121945621 1.20427204035 2.028457912686E-02 6 14.1804039648 -2.43212467262 0.170027955664 6 15.9979271981 1.73975638478 9.085209513991E-02 6 13.6053532164 2.77244247494 2.499575182470E-02 6 11.7868447762 -1.39343219905 0.106330752902 1 14.4397111888 -4.43379554927 0.293347888880 1 17.6391790059 2.91927288464 0.155077522013 1 13.3297352136 4.77580185192 -5.280276989638E-03 1 10.1431555114 -2.56525744119 0.138937307621 16 19.3020004227 -2.18348775204 0.134299477251 8 20.9842079738 -0.325733494236 1.15270139607 8 19.0886880558 -4.66812122535 1.18366001761 7 20.0154046741 -2.51391842666 -2.79896253743 1 19.7140075146 -4.16469009410 -3.66423830225 1 21.0264342221 -1.18451012097 -3.67951649332 6 8.98524438142 2.40710164988 -4.683800638368E-02 8 8.62404088094 4.65762117820 -0.119145313158 8 7.09521260910 0.710056286046 -2.027193485411E-02 6 4.48588899364 1.61442012240 -6.043557639931E-02 1 4.18402977757 2.83160191470 1.54997335048 1 4.18851510037 2.69852442655 -1.76429702456 6 2.81774658260 -0.727728392362 3.131445935321E-02 1 3.26511634385 -1.91346199534 -1.57535965464 1 3.26258594609 -1.78075553052 1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 -1.67378352623 6.601676572586E-02 1 -0.468128283684 1.03824231167 -1.70442814436 1 -0.470300494955 1.17038221894 1.61582801791 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide ------------------------------------------------ 6 25.3713425036 -1.29078949634 0.355162756323 6 20.4999091352 0.573560077356 0.364133120434 6 23.9743069632 -1.31357807398 -1.85095938988 6 24.3252994282 -0.415369237348 2.58530943683 6 21.8910263201 0.513406735149 2.58161342663 6 21.5377263326 -0.374782138985 -1.84407022859 1 24.7750487130 -2.10650345747 -3.53005203392 1 25.3946688774 -0.512004923803 4.29936626465 1 21.0202154713 1.18149772339 4.27815360199 1 20.4612990421 -0.457447519092 -3.55525533127 16 28.4826686810 -2.40691226463 0.326907266351 8 29.0575208275 -3.24882881774 2.83235788148 8 28.7292616886 -4.02045594705 -1.83191149933 7 30.1958247445 4.659798221744E-02 -0.196814783951 1 30.7416402004 0.458650792246 -1.95662063897 1 30.9742895925 0.978036517171 1.24950605113 6 17.8685695062 1.62069402182 0.569037022625 8 16.9121337151 1.98640308405 2.64084945189 7 16.6475838091 2.16728923214 -1.59968433242 1 17.5026399508 2.00396757565 -3.26264024246 6 14.0471178299 3.13731508438 -1.54317890412 1 13.9081475080 4.50575166986 -3.317958501066E-02 1 13.6971642834 4.08287469466 -3.32301791741 6 12.0992929940 1.02487542427 -1.11703967027 1 12.5281848996 0.117796579141 0.666940159516 1 12.2815924673 -0.373262443907 -2.60660342009 6 9.38368726187 2.06734240350 -1.06370511801 1 9.22904530181 3.47641655650 0.421514153709 1 8.97012908132 3.00584669183 -2.84391203155 6 7.40761134032 -2.081885259197E-02 -0.604515659145 1 7.82188979387 -0.959523171789 1.17316216804 1 7.55506462234 -1.43154567156 -2.08911482546 6 4.68976064388 1.01856155618 -0.532987082800 1 4.54337076001 2.42907817719 0.951893386632 1 4.27548433984 1.96002534321 -2.31043907566 6 2.70945778986 -1.06451077238 -7.050369403612E-02 1 2.85286386444 -2.47488702954 -1.55389920638 1 3.12196207310 -2.00541446888 1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 0.913671943654 -1.77644025194 1 -0.190421763470 1.38528862659 1.49931725663 1 -1.36920746468 -1.48906274881 0.327953965063 ------------------------------------------------ 6 17.9684279399 -1.54301176377 0.149693423226 6 13.6326730870 1.30132688262 2.138183749743E-02 6 15.6426740929 -2.73563073422 0.189786012449 6 18.1438750705 1.06604052147 9.962044033802E-02 6 15.9621451629 2.49057033907 2.523220981312E-02 6 13.4610204855 -1.30509459913 0.117287370756 1 15.5573431966 -4.75166639252 0.321088296824 1 19.9617870444 1.94922244854 0.163264253275 1 16.0314585342 4.51140907128 -1.239461845501E-02 1 11.6418341179 -2.17978662007 0.150641401029 16 20.7317846783 -3.36204210634 0.163987391502 8 22.7051478607 -1.81249173186 1.17548489088 8 20.0987699462 -5.76903704384 1.22508771415 7 21.3801516200 -3.82469400623 -2.76690153273 1 20.8048852121 -5.40607792939 -3.62309870587 1 22.6005200302 -2.68935847433 -3.65393602741 6 11.3472294671 2.91626214998 -5.651370344789E-02 8 9.19665552725 1.56522590120 -3.245613991045E-02 6 6.77856962350 2.90016097853 -8.749655544515E-02 1 6.67652246165 4.14495637472 1.52674105702 1 6.68550306343 4.02593032336 -1.78755983989 6 4.73704841955 0.874096953142 -1.969560988444E-02 1 4.98065500262 -0.246176556333 1.67702200013 1 4.98893864106 -0.366141886882 -1.62964287548 8 11.3745245833 5.19521098803 -0.135688264964 6 2.07271853085 2.04310727132 -6.880948422220E-02 1 1.85408721205 3.17805095775 -1.76397604453 1 1.84594669663 3.29720682002 1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 -1.24962477650 -1.61609500694 1 -1.86381093455 0.848750824383 -3.507941596838E-02 1 0.158113135931 -1.12952769314 1.70286806009 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide --> 11-*- 11 (11)4-COOAm-benzenesulfonamide ------------------------------------------------ 6 25.3713425036 -1.29078949634 0.355162756323 6 20.4999091352 0.573560077356 0.364133120434 6 23.9743069632 -1.31357807398 -1.85095938988 6 24.3252994282 -0.415369237348 2.58530943683 6 21.8910263201 0.513406735149 2.58161342663 6 21.5377263326 -0.374782138985 -1.84407022859 1 24.7750487130 -2.10650345747 -3.53005203392 1 25.3946688774 -0.512004923803 4.29936626465 1 21.0202154713 1.18149772339 4.27815360199 1 20.4612990421 -0.457447519092 -3.55525533127 16 28.4826686810 -2.40691226463 0.326907266351 8 29.0575208275 -3.24882881774 2.83235788148 8 28.7292616886 -4.02045594705 -1.83191149933 7 30.1958247445 4.659798221744E-02 -0.196814783951 1 30.7416402004 0.458650792246 -1.95662063897 1 30.9742895925 0.978036517171 1.24950605113 6 17.8685695062 1.62069402182 0.569037022625 8 16.9121337151 1.98640308405 2.64084945189 7 16.6475838091 2.16728923214 -1.59968433242 1 17.5026399508 2.00396757565 -3.26264024246 6 14.0471178299 3.13731508438 -1.54317890412 1 13.9081475080 4.50575166986 -3.317958501066E-02 1 13.6971642834 4.08287469466 -3.32301791741 6 12.0992929940 1.02487542427 -1.11703967027 1 12.5281848996 0.117796579141 0.666940159516 1 12.2815924673 -0.373262443907 -2.60660342009 6 9.38368726187 2.06734240350 -1.06370511801 1 9.22904530181 3.47641655650 0.421514153709 1 8.97012908132 3.00584669183 -2.84391203155 6 7.40761134032 -2.081885259197E-02 -0.604515659145 1 7.82188979387 -0.959523171789 1.17316216804 1 7.55506462234 -1.43154567156 -2.08911482546 6 4.68976064388 1.01856155618 -0.532987082800 1 4.54337076001 2.42907817719 0.951893386632 1 4.27548433984 1.96002534321 -2.31043907566 6 2.70945778986 -1.06451077238 -7.050369403612E-02 1 2.85286386444 -2.47488702954 -1.55389920638 1 3.12196207310 -2.00541446888 1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 0.913671943654 -1.77644025194 1 -0.190421763470 1.38528862659 1.49931725663 1 -1.36920746468 -1.48906274881 0.327953965063 ------------------------------------------------ 6 20.7940103927 1.18292577645 -0.135748344237 6 16.2553748543 -1.32561650568 -1.898358840442E-02 6 18.5653398548 2.54782901355 -0.185991958815 6 20.7714899222 -1.43194635192 -8.119491494154E-02 6 18.4881809521 -2.68752983337 -1.268047644927E-02 6 16.2816292072 1.28621992460 -0.119293218161 1 18.6330826801 4.56430368467 -0.320494210942 1 22.5176825572 -2.45010794741 -0.136961916771 1 18.4044365481 -4.70774521966 2.810073710092E-02 1 14.5338256999 2.29576106594 -0.160475355254 16 23.6871881374 2.78742501086 -0.142668366748 8 25.5411157417 1.09148804236 -1.14525598407 8 23.2417958312 5.23383132605 -1.20898679380 7 24.3589360690 3.20370291968 2.78991772878 1 23.9091509095 4.82809819444 3.64057141352 1 25.4806790933 1.97605258766 3.68426382740 6 13.8540126043 -2.76296861394 5.303453877654E-02 8 11.8120703378 -1.25321399795 2.008307004224E-02 6 9.29901118039 -2.40045989565 6.905102121977E-02 1 9.10783205313 -3.63690786172 -1.54345602431 1 9.11551718001 -3.51245649883 1.77073227684 6 7.41759711942 -0.225163913710 -8.381954772778E-03 1 7.75164296187 0.869303738938 -1.70652575015 1 7.75918159098 0.994644284689 1.60061304784 8 13.7086109469 -5.03734953143 0.135183415616 6 4.67345055952 -1.19177646373 3.443655708758E-02 1 4.36347393069 -2.30467041402 1.73186035831 1 4.35593551642 -2.42824308851 -1.57363269202 6 2.73979046465 0.982603093803 -4.252073111888E-02 1 3.05064854136 2.21942573316 1.56427419659 1 3.04356406783 2.09606747732 -1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 -1.08637600396 1.70287631133 1 -0.357289139629 -1.20966193729 -1.61602453331 1 -1.33734281519 1.55130517970 -5.488380719168E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide ------------------------------------------------ 6 25.3713425036 -1.29078949634 0.355162756323 6 20.4999091352 0.573560077356 0.364133120434 6 23.9743069632 -1.31357807398 -1.85095938988 6 24.3252994282 -0.415369237348 2.58530943683 6 21.8910263201 0.513406735149 2.58161342663 6 21.5377263326 -0.374782138985 -1.84407022859 1 24.7750487130 -2.10650345747 -3.53005203392 1 25.3946688774 -0.512004923803 4.29936626465 1 21.0202154713 1.18149772339 4.27815360199 1 20.4612990421 -0.457447519092 -3.55525533127 16 28.4826686810 -2.40691226463 0.326907266351 8 29.0575208275 -3.24882881774 2.83235788148 8 28.7292616886 -4.02045594705 -1.83191149933 7 30.1958247445 4.659798221744E-02 -0.196814783951 1 30.7416402004 0.458650792246 -1.95662063897 1 30.9742895925 0.978036517171 1.24950605113 6 17.8685695062 1.62069402182 0.569037022625 8 16.9121337151 1.98640308405 2.64084945189 7 16.6475838091 2.16728923214 -1.59968433242 1 17.5026399508 2.00396757565 -3.26264024246 6 14.0471178299 3.13731508438 -1.54317890412 1 13.9081475080 4.50575166986 -3.317958501066E-02 1 13.6971642834 4.08287469466 -3.32301791741 6 12.0992929940 1.02487542427 -1.11703967027 1 12.5281848996 0.117796579141 0.666940159516 1 12.2815924673 -0.373262443907 -2.60660342009 6 9.38368726187 2.06734240350 -1.06370511801 1 9.22904530181 3.47641655650 0.421514153709 1 8.97012908132 3.00584669183 -2.84391203155 6 7.40761134032 -2.081885259197E-02 -0.604515659145 1 7.82188979387 -0.959523171789 1.17316216804 1 7.55506462234 -1.43154567156 -2.08911482546 6 4.68976064388 1.01856155618 -0.532987082800 1 4.54337076001 2.42907817719 0.951893386632 1 4.27548433984 1.96002534321 -2.31043907566 6 2.70945778986 -1.06451077238 -7.050369403612E-02 1 2.85286386444 -2.47488702954 -1.55389920638 1 3.12196207310 -2.00541446888 1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 0.913671943654 -1.77644025194 1 -0.190421763470 1.38528862659 1.49931725663 1 -1.36920746468 -1.48906274881 0.327953965063 ------------------------------------------------ 6 22.6680723895 1.90654821224 -0.175233423843 6 18.4884955220 -1.16205594440 -2.429127256041E-02 6 20.2830274345 2.97597725977 -0.173664688758 6 22.9799650421 -0.690079737778 -0.155208703405 6 20.8766221032 -2.22748679265 -6.903817015508E-02 6 18.1799381157 1.43239889865 -8.995095951044E-02 1 20.0909835172 4.98607533718 -0.281845826277 1 24.8405388049 -1.47638787062 -0.250726882769 1 21.0517072441 -4.24227251958 -5.371272626672E-02 1 16.3172055949 2.21104024810 -9.170563306660E-02 16 25.3324936821 3.86769909134 -0.204282249485 8 27.3689282330 2.43608131514 -1.26337330774 8 24.5588648910 6.25073611663 -1.22544756910 7 25.9991456410 4.32704671165 2.72259774632 1 25.3514763748 5.86285263510 3.60932921947 1 27.2925393220 3.24838521296 3.57606690334 6 16.2916230451 -2.89540499983 6.179565244721E-02 8 14.0727663740 -1.65964926922 7.242285012777E-02 6 11.7286122162 -3.12131087053 0.129207796905 1 11.6916371367 -4.36862899705 -1.48585984781 1 11.6980732731 -4.25127283221 1.82879684924 6 9.58109439663 -1.20776499556 6.511610601119E-02 1 9.76756866224 -7.139861485579E-02 -1.62808855633 1 9.76377736159 3.875539761361E-02 1.67952200771 8 16.4397777482 -5.17051756224 0.117582340473 6 6.98540215161 -2.52323506137 0.105275847922 1 6.82580399210 -3.67429399210 1.79800400123 1 6.83170567671 -3.78372128405 -1.50810456154 6 4.78702881724 -0.616612023999 3.768403587990E-02 1 4.93145580826 0.642205670084 1.65293843334 1 4.94358499840 0.538158692436 -1.65236070615 6 2.18592326697 -1.92237034783 6.880796847135E-02 1 2.02940000857 -3.07742276656 1.75724206468 1 2.04230086267 -3.18049871305 -1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 1.24972460005 1.62283624211 1 -1.81555813970 -0.949604486281 2.171294654113E-02 1 0.101559387270 1.14661307089 -1.69643499199 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide ------------------------------------------------ 6 25.3713425036 -1.29078949634 0.355162756323 6 20.4999091352 0.573560077356 0.364133120434 6 23.9743069632 -1.31357807398 -1.85095938988 6 24.3252994282 -0.415369237348 2.58530943683 6 21.8910263201 0.513406735149 2.58161342663 6 21.5377263326 -0.374782138985 -1.84407022859 1 24.7750487130 -2.10650345747 -3.53005203392 1 25.3946688774 -0.512004923803 4.29936626465 1 21.0202154713 1.18149772339 4.27815360199 1 20.4612990421 -0.457447519092 -3.55525533127 16 28.4826686810 -2.40691226463 0.326907266351 8 29.0575208275 -3.24882881774 2.83235788148 8 28.7292616886 -4.02045594705 -1.83191149933 7 30.1958247445 4.659798221744E-02 -0.196814783951 1 30.7416402004 0.458650792246 -1.95662063897 1 30.9742895925 0.978036517171 1.24950605113 6 17.8685695062 1.62069402182 0.569037022625 8 16.9121337151 1.98640308405 2.64084945189 7 16.6475838091 2.16728923214 -1.59968433242 1 17.5026399508 2.00396757565 -3.26264024246 6 14.0471178299 3.13731508438 -1.54317890412 1 13.9081475080 4.50575166986 -3.317958501066E-02 1 13.6971642834 4.08287469466 -3.32301791741 6 12.0992929940 1.02487542427 -1.11703967027 1 12.5281848996 0.117796579141 0.666940159516 1 12.2815924673 -0.373262443907 -2.60660342009 6 9.38368726187 2.06734240350 -1.06370511801 1 9.22904530181 3.47641655650 0.421514153709 1 8.97012908132 3.00584669183 -2.84391203155 6 7.40761134032 -2.081885259197E-02 -0.604515659145 1 7.82188979387 -0.959523171789 1.17316216804 1 7.55506462234 -1.43154567156 -2.08911482546 6 4.68976064388 1.01856155618 -0.532987082800 1 4.54337076001 2.42907817719 0.951893386632 1 4.27548433984 1.96002534321 -2.31043907566 6 2.70945778986 -1.06451077238 -7.050369403612E-02 1 2.85286386444 -2.47488702954 -1.55389920638 1 3.12196207310 -2.00541446888 1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 0.913671943654 -1.77644025194 1 -0.190421763470 1.38528862659 1.49931725663 1 -1.36920746468 -1.48906274881 0.327953965063 ------------------------------------------------ 6 12.2734251286 0.428907088210 -3.130417300445E-02 6 7.16512558575 -0.605433656762 -0.183825719733 6 10.5713708299 2.37495748345 -0.399070980710 6 11.4474717344 -2.04279012262 0.176766780326 6 8.89344536670 -2.55194533980 9.586430260886E-02 6 8.01368059796 1.85426065145 -0.469957115655 1 11.2546633574 4.25736622768 -0.680203900338 1 12.7976479862 -3.53900012680 0.347716707934 1 8.19737481149 -4.44495294702 0.221953717805 1 6.71862383287 3.36899815646 -0.820375895056 16 15.5058925312 1.09988548484 0.139878058083 8 16.8322621021 -1.12838754297 -0.629587328980 8 15.8847585470 3.49504260894 -1.06180455980 7 16.0744500874 1.48770706952 3.09912365385 1 16.0632182407 3.22273094432 3.84357473139 1 16.7466970697 5.130502478586E-02 4.12393032748 6 4.42868586731 -1.35626047301 -0.252477484269 8 3.82938195486 -3.56208325758 -0.576406362775 7 2.71818896568 0.506140006335 9.280093005674E-02 1 3.27509805498 2.22468116302 0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 -1.90115557994 -0.684101664629 1 -0.922458262213 1.31460329988 -1.26745769935 1 -0.840700153890 0.156106480461 1.86072422508 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide ------------------------------------------------ 6 25.3713425036 -1.29078949634 0.355162756323 6 20.4999091352 0.573560077356 0.364133120434 6 23.9743069632 -1.31357807398 -1.85095938988 6 24.3252994282 -0.415369237348 2.58530943683 6 21.8910263201 0.513406735149 2.58161342663 6 21.5377263326 -0.374782138985 -1.84407022859 1 24.7750487130 -2.10650345747 -3.53005203392 1 25.3946688774 -0.512004923803 4.29936626465 1 21.0202154713 1.18149772339 4.27815360199 1 20.4612990421 -0.457447519092 -3.55525533127 16 28.4826686810 -2.40691226463 0.326907266351 8 29.0575208275 -3.24882881774 2.83235788148 8 28.7292616886 -4.02045594705 -1.83191149933 7 30.1958247445 4.659798221744E-02 -0.196814783951 1 30.7416402004 0.458650792246 -1.95662063897 1 30.9742895925 0.978036517171 1.24950605113 6 17.8685695062 1.62069402182 0.569037022625 8 16.9121337151 1.98640308405 2.64084945189 7 16.6475838091 2.16728923214 -1.59968433242 1 17.5026399508 2.00396757565 -3.26264024246 6 14.0471178299 3.13731508438 -1.54317890412 1 13.9081475080 4.50575166986 -3.317958501066E-02 1 13.6971642834 4.08287469466 -3.32301791741 6 12.0992929940 1.02487542427 -1.11703967027 1 12.5281848996 0.117796579141 0.666940159516 1 12.2815924673 -0.373262443907 -2.60660342009 6 9.38368726187 2.06734240350 -1.06370511801 1 9.22904530181 3.47641655650 0.421514153709 1 8.97012908132 3.00584669183 -2.84391203155 6 7.40761134032 -2.081885259197E-02 -0.604515659145 1 7.82188979387 -0.959523171789 1.17316216804 1 7.55506462234 -1.43154567156 -2.08911482546 6 4.68976064388 1.01856155618 -0.532987082800 1 4.54337076001 2.42907817719 0.951893386632 1 4.27548433984 1.96002534321 -2.31043907566 6 2.70945778986 -1.06451077238 -7.050369403612E-02 1 2.85286386444 -2.47488702954 -1.55389920638 1 3.12196207310 -2.00541446888 1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 0.913671943654 -1.77644025194 1 -0.190421763470 1.38528862659 1.49931725663 1 -1.36920746468 -1.48906274881 0.327953965063 ------------------------------------------------ 6 13.4991057155 0.357473590767 -0.713811663238 6 8.48076024177 -0.503164540210 0.416629781928 6 11.8631397624 2.37874757162 -0.473562136431 6 12.6300343135 -2.09621222127 -0.471550344568 6 10.1214739007 -2.51780523488 9.207153793854E-02 6 9.35258280198 1.94453974915 9.759660250163E-02 1 12.5459565012 4.25659611519 -0.784414249864 1 13.8986334476 -3.64265027953 -0.771481617840 1 9.38607236031 -4.39164092392 0.267910179188 1 8.09763925784 3.52677510687 0.221740185849 16 16.6935460046 0.912646421298 -1.35805736093 8 17.6544840841 -1.28364835574 -2.61076734769 8 16.8676643394 3.38662077444 -2.44146121239 7 18.0366372567 1.03700758771 1.36404066179 1 18.3163089429 2.70480564337 2.20359468998 1 18.8696549651 -0.501492704799 2.07432409737 6 5.78952802473 -1.16981982693 1.02631101775 8 5.04502030288 -3.34753860849 0.814795268017 7 4.26922563055 0.704156458501 1.84300557024 1 4.93783248921 2.42933031646 2.15895801923 6 1.59945609057 0.196996634022 2.41475962510 1 1.48860461593 -1.55437999117 3.45794673312 1 0.926691554047 1.71487444573 3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 1.73213272312 -1.08507996536 1 -1.96325947579 -0.346439546764 0.473696207925 1 0.684941159121 -1.55321650721 -1.13775889828 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide ------------------------------------------------ 6 25.3713425036 -1.29078949634 0.355162756323 6 20.4999091352 0.573560077356 0.364133120434 6 23.9743069632 -1.31357807398 -1.85095938988 6 24.3252994282 -0.415369237348 2.58530943683 6 21.8910263201 0.513406735149 2.58161342663 6 21.5377263326 -0.374782138985 -1.84407022859 1 24.7750487130 -2.10650345747 -3.53005203392 1 25.3946688774 -0.512004923803 4.29936626465 1 21.0202154713 1.18149772339 4.27815360199 1 20.4612990421 -0.457447519092 -3.55525533127 16 28.4826686810 -2.40691226463 0.326907266351 8 29.0575208275 -3.24882881774 2.83235788148 8 28.7292616886 -4.02045594705 -1.83191149933 7 30.1958247445 4.659798221744E-02 -0.196814783951 1 30.7416402004 0.458650792246 -1.95662063897 1 30.9742895925 0.978036517171 1.24950605113 6 17.8685695062 1.62069402182 0.569037022625 8 16.9121337151 1.98640308405 2.64084945189 7 16.6475838091 2.16728923214 -1.59968433242 1 17.5026399508 2.00396757565 -3.26264024246 6 14.0471178299 3.13731508438 -1.54317890412 1 13.9081475080 4.50575166986 -3.317958501066E-02 1 13.6971642834 4.08287469466 -3.32301791741 6 12.0992929940 1.02487542427 -1.11703967027 1 12.5281848996 0.117796579141 0.666940159516 1 12.2815924673 -0.373262443907 -2.60660342009 6 9.38368726187 2.06734240350 -1.06370511801 1 9.22904530181 3.47641655650 0.421514153709 1 8.97012908132 3.00584669183 -2.84391203155 6 7.40761134032 -2.081885259197E-02 -0.604515659145 1 7.82188979387 -0.959523171789 1.17316216804 1 7.55506462234 -1.43154567156 -2.08911482546 6 4.68976064388 1.01856155618 -0.532987082800 1 4.54337076001 2.42907817719 0.951893386632 1 4.27548433984 1.96002534321 -2.31043907566 6 2.70945778986 -1.06451077238 -7.050369403612E-02 1 2.85286386444 -2.47488702954 -1.55389920638 1 3.12196207310 -2.00541446888 1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 0.913671943654 -1.77644025194 1 -0.190421763470 1.38528862659 1.49931725663 1 -1.36920746468 -1.48906274881 0.327953965063 ------------------------------------------------ 6 16.3895792015 -0.240489114104 0.536193806704 6 11.2920888992 0.451096170868 -0.326090712247 6 14.8194157858 -2.31710236513 0.332180772567 6 15.4194231089 2.18266311147 0.390199489610 6 12.8721086867 2.51961306172 -4.014493484245E-02 6 12.2689440408 -1.96736827272 -0.104588496551 1 15.5860110543 -4.17358955286 0.566758904214 1 16.6431929451 3.77015985899 0.660657202547 1 12.0602052934 4.36724803133 -0.139997105688 1 11.0701659350 -3.59425419512 -0.203144347206 16 19.6304263353 -0.686794962887 1.01096050120 8 20.5702877543 1.51578267698 2.26860480338 8 19.9498684877 -3.17604514588 2.02400342944 7 20.8410111234 -0.697292062619 -1.77517976903 1 21.1380020961 -2.33317949807 -2.66979007743 1 21.5834993494 0.887153761337 -2.48491793384 6 8.55072081282 1.02933075625 -0.787372576289 8 7.74481307558 3.17762575485 -0.511396947249 7 7.05397038251 -0.888627903207 -1.54546896295 1 7.76234008752 -2.58922394741 -1.90477240945 6 4.34412151772 -0.471267660613 -1.97617977221 1 4.11567022133 1.31564616149 -2.93907082096 1 3.66918162500 -1.96785234101 -3.19655760703 6 2.83322401463 -0.431124044979 0.504279368481 1 3.11335731365 -2.20436047481 1.49304292078 1 3.57440415444 1.07510116992 1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 -1.49697720468 -1.17000519138 1 -0.298267921192 1.78626047228 -0.960482973300 1 -1.05317079190 4.110766263255E-02 1.75580559418 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide ------------------------------------------------ 6 25.3713425036 -1.29078949634 0.355162756323 6 20.4999091352 0.573560077356 0.364133120434 6 23.9743069632 -1.31357807398 -1.85095938988 6 24.3252994282 -0.415369237348 2.58530943683 6 21.8910263201 0.513406735149 2.58161342663 6 21.5377263326 -0.374782138985 -1.84407022859 1 24.7750487130 -2.10650345747 -3.53005203392 1 25.3946688774 -0.512004923803 4.29936626465 1 21.0202154713 1.18149772339 4.27815360199 1 20.4612990421 -0.457447519092 -3.55525533127 16 28.4826686810 -2.40691226463 0.326907266351 8 29.0575208275 -3.24882881774 2.83235788148 8 28.7292616886 -4.02045594705 -1.83191149933 7 30.1958247445 4.659798221744E-02 -0.196814783951 1 30.7416402004 0.458650792246 -1.95662063897 1 30.9742895925 0.978036517171 1.24950605113 6 17.8685695062 1.62069402182 0.569037022625 8 16.9121337151 1.98640308405 2.64084945189 7 16.6475838091 2.16728923214 -1.59968433242 1 17.5026399508 2.00396757565 -3.26264024246 6 14.0471178299 3.13731508438 -1.54317890412 1 13.9081475080 4.50575166986 -3.317958501066E-02 1 13.6971642834 4.08287469466 -3.32301791741 6 12.0992929940 1.02487542427 -1.11703967027 1 12.5281848996 0.117796579141 0.666940159516 1 12.2815924673 -0.373262443907 -2.60660342009 6 9.38368726187 2.06734240350 -1.06370511801 1 9.22904530181 3.47641655650 0.421514153709 1 8.97012908132 3.00584669183 -2.84391203155 6 7.40761134032 -2.081885259197E-02 -0.604515659145 1 7.82188979387 -0.959523171789 1.17316216804 1 7.55506462234 -1.43154567156 -2.08911482546 6 4.68976064388 1.01856155618 -0.532987082800 1 4.54337076001 2.42907817719 0.951893386632 1 4.27548433984 1.96002534321 -2.31043907566 6 2.70945778986 -1.06451077238 -7.050369403612E-02 1 2.85286386444 -2.47488702954 -1.55389920638 1 3.12196207310 -2.00541446888 1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 0.913671943654 -1.77644025194 1 -0.190421763470 1.38528862659 1.49931725663 1 -1.36920746468 -1.48906274881 0.327953965063 ------------------------------------------------ 6 17.9683881599 0.297292077107 -1.27536857331 6 13.1074956167 -0.472207080671 0.453228519305 6 16.4795229986 2.34875635930 -0.647864180363 6 17.0206311288 -2.13415723988 -1.11906109396 6 14.5917090576 -2.50997045525 -0.254800853982 6 14.0483817764 1.95969349025 0.221879028027 1 17.2064313178 4.21995575715 -0.891477750401 1 18.1611556206 -3.69459587591 -1.71498801728 1 13.7960455627 -4.36328224970 -0.132995603972 1 12.9022737548 3.57153468866 0.648336550217 16 21.0720806852 0.788022958085 -2.30216806175 8 21.7468110653 -1.31897174983 -3.85840867623 8 21.2227851157 3.34246112332 -3.18367143395 7 22.7709964146 0.611425397042 0.210357613229 1 23.2419454469 2.18327885030 1.14424461781 1 23.6155189330 -1.01555484106 0.663326749229 6 10.4913649952 -1.09295624704 1.36656090135 8 9.63574908684 -3.22390935997 1.10529668512 7 9.16801166064 0.764206510305 2.50274977654 1 9.93546118641 2.44582902745 2.82792804056 6 6.57752127994 0.303665749238 3.38789268707 1 6.51903031968 -1.54105374663 4.26306789461 1 6.14310735722 1.71711069845 4.80129056636 6 4.64548715274 0.408008321980 1.22155256882 1 4.74877437287 2.24262500055 0.310278321539 1 5.15722580814 -1.01799017637 -0.154647286614 6 1.93810690142 -7.135985398158E-02 2.17182509407 1 1.44127945712 1.34174421826 3.57579700736 1 1.85954730813 -1.90266503311 3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 1.83021062745 -0.923376785869 1 -1.89573167271 -0.347838378411 0.695134146311 1 0.441627040364 -1.42860412068 -1.40142839635 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide ------------------------------------------------ 6 25.3713425036 -1.29078949634 0.355162756323 6 20.4999091352 0.573560077356 0.364133120434 6 23.9743069632 -1.31357807398 -1.85095938988 6 24.3252994282 -0.415369237348 2.58530943683 6 21.8910263201 0.513406735149 2.58161342663 6 21.5377263326 -0.374782138985 -1.84407022859 1 24.7750487130 -2.10650345747 -3.53005203392 1 25.3946688774 -0.512004923803 4.29936626465 1 21.0202154713 1.18149772339 4.27815360199 1 20.4612990421 -0.457447519092 -3.55525533127 16 28.4826686810 -2.40691226463 0.326907266351 8 29.0575208275 -3.24882881774 2.83235788148 8 28.7292616886 -4.02045594705 -1.83191149933 7 30.1958247445 4.659798221744E-02 -0.196814783951 1 30.7416402004 0.458650792246 -1.95662063897 1 30.9742895925 0.978036517171 1.24950605113 6 17.8685695062 1.62069402182 0.569037022625 8 16.9121337151 1.98640308405 2.64084945189 7 16.6475838091 2.16728923214 -1.59968433242 1 17.5026399508 2.00396757565 -3.26264024246 6 14.0471178299 3.13731508438 -1.54317890412 1 13.9081475080 4.50575166986 -3.317958501066E-02 1 13.6971642834 4.08287469466 -3.32301791741 6 12.0992929940 1.02487542427 -1.11703967027 1 12.5281848996 0.117796579141 0.666940159516 1 12.2815924673 -0.373262443907 -2.60660342009 6 9.38368726187 2.06734240350 -1.06370511801 1 9.22904530181 3.47641655650 0.421514153709 1 8.97012908132 3.00584669183 -2.84391203155 6 7.40761134032 -2.081885259197E-02 -0.604515659145 1 7.82188979387 -0.959523171789 1.17316216804 1 7.55506462234 -1.43154567156 -2.08911482546 6 4.68976064388 1.01856155618 -0.532987082800 1 4.54337076001 2.42907817719 0.951893386632 1 4.27548433984 1.96002534321 -2.31043907566 6 2.70945778986 -1.06451077238 -7.050369403612E-02 1 2.85286386444 -2.47488702954 -1.55389920638 1 3.12196207310 -2.00541446888 1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 0.913671943654 -1.77644025194 1 -0.190421763470 1.38528862659 1.49931725663 1 -1.36920746468 -1.48906274881 0.327953965063 ------------------------------------------------ 6 20.7991290262 0.173784562617 -0.967430943750 6 15.8208872142 -0.493809018334 0.438608973922 6 19.3262977014 2.25396162951 -0.398797961368 6 19.7814511456 -2.23370706654 -0.914828584962 6 17.2935652430 -2.55864272562 -0.212496983470 6 16.8360353316 1.91574159282 0.309779724471 1 20.1142731917 4.10895290340 -0.564237775091 1 20.9173363920 -3.81385503923 -1.46592508350 1 16.4442776257 -4.39176179105 -0.176203941180 1 15.7049640512 3.54969525139 0.689919799457 16 23.9730508168 0.598035781202 -1.78812191880 8 24.6931739735 -1.50517256805 -3.32907555178 8 24.2435498230 3.15901002899 -2.62060021432 7 25.5033852023 0.345442345150 0.824002123731 1 25.9537944258 1.89269407830 1.80776047178 1 26.2758209659 -1.30859530159 1.30662787836 6 13.1364605614 -1.05636550436 1.17304363784 8 12.2342106329 -3.15067883783 0.798066467619 7 11.8045299533 0.811050923403 2.28280920599 1 12.6074301426 2.45211797021 2.71333127911 6 9.14976160456 0.415244685406 2.99139374910 1 8.97576642824 -1.45199356268 3.80070440505 1 8.67465458601 1.79959917137 4.42036175613 6 7.36177114450 0.653459671476 0.714423221458 1 7.91441927685 -0.744818521689 -0.674421622847 1 7.58140029875 2.51170351436 -0.125580462120 6 4.58736232398 0.234912622601 1.48206692652 1 4.39235199539 -1.62338779407 2.33305194788 1 4.04706318167 1.61793167812 2.90215796291 6 2.76982943896 0.437731877559 -0.782841872202 1 3.30844365759 -0.941827465806 -2.20173367200 1 2.95663454185 2.29447008586 -1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 -1.86570407362 0.817672243790 1 -1.25343256978 0.149457481471 -1.61416779080 1 -0.583961285311 1.38598079582 1.39357136739 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide ------------------------------------------------ 6 25.3713425036 -1.29078949634 0.355162756323 6 20.4999091352 0.573560077356 0.364133120434 6 23.9743069632 -1.31357807398 -1.85095938988 6 24.3252994282 -0.415369237348 2.58530943683 6 21.8910263201 0.513406735149 2.58161342663 6 21.5377263326 -0.374782138985 -1.84407022859 1 24.7750487130 -2.10650345747 -3.53005203392 1 25.3946688774 -0.512004923803 4.29936626465 1 21.0202154713 1.18149772339 4.27815360199 1 20.4612990421 -0.457447519092 -3.55525533127 16 28.4826686810 -2.40691226463 0.326907266351 8 29.0575208275 -3.24882881774 2.83235788148 8 28.7292616886 -4.02045594705 -1.83191149933 7 30.1958247445 4.659798221744E-02 -0.196814783951 1 30.7416402004 0.458650792246 -1.95662063897 1 30.9742895925 0.978036517171 1.24950605113 6 17.8685695062 1.62069402182 0.569037022625 8 16.9121337151 1.98640308405 2.64084945189 7 16.6475838091 2.16728923214 -1.59968433242 1 17.5026399508 2.00396757565 -3.26264024246 6 14.0471178299 3.13731508438 -1.54317890412 1 13.9081475080 4.50575166986 -3.317958501066E-02 1 13.6971642834 4.08287469466 -3.32301791741 6 12.0992929940 1.02487542427 -1.11703967027 1 12.5281848996 0.117796579141 0.666940159516 1 12.2815924673 -0.373262443907 -2.60660342009 6 9.38368726187 2.06734240350 -1.06370511801 1 9.22904530181 3.47641655650 0.421514153709 1 8.97012908132 3.00584669183 -2.84391203155 6 7.40761134032 -2.081885259197E-02 -0.604515659145 1 7.82188979387 -0.959523171789 1.17316216804 1 7.55506462234 -1.43154567156 -2.08911482546 6 4.68976064388 1.01856155618 -0.532987082800 1 4.54337076001 2.42907817719 0.951893386632 1 4.27548433984 1.96002534321 -2.31043907566 6 2.70945778986 -1.06451077238 -7.050369403612E-02 1 2.85286386444 -2.47488702954 -1.55389920638 1 3.12196207310 -2.00541446888 1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 0.913671943654 -1.77644025194 1 -0.190421763470 1.38528862659 1.49931725663 1 -1.36920746468 -1.48906274881 0.327953965063 ------------------------------------------------ 6 22.5771469666 -1.15315062242 1.33850011954 6 17.8425169573 0.576156120662 -2.234632623383E-03 6 21.1633719312 -2.48100690435 -0.409962720559 6 21.6107089723 0.989908679563 2.48228696960 6 19.2440933876 1.84630992232 1.80831765324 6 18.7957098516 -1.60947522179 -1.08290543351 1 21.8946454585 -4.19945910018 -1.18536236676 1 22.6855831307 1.93339152381 3.91236744583 1 18.4339240240 3.48182972505 2.67523222275 1 17.7008464917 -2.68987866802 -2.39737300535 16 25.6065323789 -2.21318301591 2.12963917739 8 26.1459122384 -1.31654885736 4.62396311682 8 25.7256214254 -4.83779591130 1.48007485887 7 27.4751893457 -0.743706108843 0.237803865057 1 28.0301701289 -1.56579060238 -1.36866835464 1 28.3270991466 0.844667304544 0.800499116961 6 15.2894950371 1.66650661716 -0.597501874580 8 14.3687896107 3.29889550467 0.754640571509 7 14.1000853631 0.805668522375 -2.68023465397 1 14.9377893462 -0.404137958512 -3.84561620167 6 11.5717591707 1.74173503480 -3.34228248627 1 11.5333026393 3.75907383560 -3.02446283844 1 11.2783293185 1.38337013554 -5.33468474421 6 9.48677589010 0.474256852886 -1.76614598946 1 9.86157341390 0.860340863107 0.208498546579 1 9.56627349941 -1.55562313317 -2.04857411438 6 6.84855323045 1.47113086062 -2.48064608058 1 6.79648913596 3.50501120231 -2.20511689137 1 6.49229173351 1.11341496630 -4.47217285833 6 4.73751179529 0.241051054790 -0.898179482966 1 5.09253015610 0.596968801207 1.09184063865 1 4.78211518922 -1.79347499883 -1.17152183930 6 2.09502690272 1.24324747214 -1.59513297750 1 2.05024617966 3.27578983933 -1.31947880152 1 1.74096952081 0.890659058047 -3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 -2.03079721447 -0.281447018883 1 -1.84622701379 0.726603423243 -0.512706719913 1 0.300397382099 0.366813160548 1.99443311341 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ 6 5.04401540573 -5.065785560124E-17 8.565768416162E-02 6 9.27990108396 -9.396277336371E-17 -2.94283641892 6 6.11045552513 -2.27247789332 -0.644730598780 6 6.11045552513 2.27247789332 -0.644730598780 6 8.22908048709 2.26870089799 -2.17155776959 6 8.22908048709 -2.26870089799 -2.17155776959 1 5.30807717985 -4.00751998316 1.696942951703E-02 1 5.30807717985 4.00751998316 1.696942951703E-02 1 9.06580730279 4.02284755065 -2.73828333892 1 9.06580730279 -4.02284755065 -2.73828333892 1 10.9268739609 -1.108006638944E-16 -4.12165702328 16 2.32566022845 -2.288454205577E-17 1.95862643609 8 2.24799399215 2.36940193927 3.26556451771 8 2.24799399215 -2.36940193927 3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 -1.62837329388 -0.493096431600 1 -0.817594738155 1.62837329388 -0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ 6 8.11007909745 -8.556435899195E-18 -0.100897097935 6 2.86329951331 -2.922536611154E-18 -7.349736953064E-02 6 6.80777063774 -2.26567639154 -0.121232299609 6 6.80777063774 2.26567639154 -0.121232299609 6 4.19897121896 2.25839811190 -9.895828809266E-02 6 4.19897121896 -2.25839811190 -9.895828809266E-02 1 7.83682406515 -4.00573551491 -0.201208431763 1 7.83682406515 4.00573551491 -0.201208431763 1 3.19435364603 4.01778780932 -0.125815986880 1 3.19435364603 -4.01778780932 -0.125815986880 16 11.4059109298 -1.222287901647E-17 -6.903234852523E-02 8 12.2226557176 2.36966347735 -1.09351831769 8 12.2226557176 -2.36966347735 -1.09351831769 7 12.1903871090 -2.070990068685E-17 2.87084462677 1 12.5792272181 -1.62848573258 3.74230825804 1 12.5792272181 1.62848573258 3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 -4.336273740756E-18 1.94437378897 1 -0.758564487207 1.65923610975 -0.927043031519 1 -0.758564487207 -1.65923610975 -0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ 6 9.49515614095 -1.986230634504E-17 -0.330909318726 6 4.54766506655 1.418482302241E-17 1.41449070261 6 8.25938767444 -2.26624765571 7.914581718090E-02 6 8.25938767444 2.26624765571 7.914581718090E-02 6 5.80247435955 2.25843288285 0.956589914867 6 5.80247435955 -2.25843288285 0.956589914867 1 9.20891937494 -4.00630432243 -0.325801090800 1 9.20891937494 4.00630432243 -0.325801090800 1 4.84800788582 4.01788928760 1.27432519389 1 4.84800788582 -4.01788928760 1.27432519389 16 12.6215076530 -4.047871219384E-17 -1.37421975164 8 13.0597966465 2.36964987132 -2.60912294465 8 13.0597966465 -2.36964987132 -2.60912294465 7 14.3219760733 -5.129921083899E-18 1.14895839935 1 14.9723537348 -1.62851785792 1.84712919698 1 14.9723537348 1.62851785792 1.84712919698 6 1.82011448549 3.162508651201E-17 2.28845439361 1 1.46450096442 1.65231782291 3.44535547264 1 1.46450096442 -1.65231782291 3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 1.65855864299 -1.15861699465 1 0.312880607522 -1.65855864299 -1.15861699465 1 -1.95068478995 1.250653597013E-17 0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ 6 12.3462848294 -8.276065163872E-20 -0.219629035968 6 7.27697590475 1.666425406161E-18 1.13352461031 6 11.0821729337 -2.26629036351 9.228879249722E-02 6 11.0821729337 2.26629036351 9.228879249722E-02 6 8.56408820998 2.25853587292 0.774654122839 6 8.56408820998 -2.25853587292 0.774654122839 1 12.0604999845 -4.00629846428 -0.237334526856 1 12.0604999845 4.00629846428 -0.237334526856 1 7.58747623906 4.01782409206 1.01660875510 1 7.58747623906 -4.01782409206 1.01660875510 16 15.5446672699 -1.106855929460E-18 -1.01482146618 8 16.0785895276 2.36961755701 -2.21160547802 8 16.0785895276 -2.36961755701 -2.21160547802 7 17.0423265084 2.516184840979E-18 1.63372129060 1 17.6356158799 -1.62852220429 2.38095755132 1 17.6356158799 1.62852220429 2.38095755132 6 4.48973225005 2.504801715792E-18 1.78668016231 1 4.03784923022 1.65364233185 2.91036104922 1 4.03784923022 -1.65364233185 2.91036104922 6 2.84178543494 -8.061817684800E-19 -0.630150435706 1 3.30689183592 1.64977444070 -1.75284818480 1 3.30689183592 -1.64977444070 -1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 1.66081705451 1.09295879416 1 -1.12447528227 -2.345093436379E-18 -1.71233470070 1 -0.500643208584 -1.66081705451 1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ 6 14.1238159113 1.214503673567E-17 -0.678437661017 6 9.44100667607 7.329180195868E-17 1.68836769331 6 12.9508759688 -2.26624992338 -0.112955994743 6 12.9508759688 2.26624992338 -0.112955994743 6 10.6269754875 2.25848844080 1.07270695836 6 10.6269754875 -2.25848844080 1.07270695836 1 13.8404298349 -4.00630337757 -0.636723693997 1 13.8404298349 4.00630337757 -0.636723693997 1 9.72086351835 4.01774604637 1.51016368205 1 9.72086351835 -4.01774604637 1.51016368205 16 17.0896510524 -2.469474469544E-17 -2.11542048055 8 17.3657436482 2.36962001365 -3.39654871916 8 17.3657436482 -2.36962001365 -3.39654871916 7 19.1011870389 4.944166890890E-17 0.167534197609 1 19.8356986120 -1.62853921182 0.776447021723 1 19.8356986120 1.62853921182 0.776447021723 6 6.84711615725 1.041405701228E-16 2.90008400935 1 6.63682781461 -1.65387609096 4.09248466188 1 6.63682781461 1.65387609096 4.09248466188 6 4.74105840551 3.748430357849E-17 0.870168924938 1 4.96583213621 -1.65095665328 -0.325145161310 1 4.96583213621 1.65095665328 -0.325145161310 6 2.07671001580 6.693452376398E-17 2.04129882743 1 1.86017810411 -1.65244972578 3.23844110052 1 1.86017810411 1.65244972578 3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 -1.66008648645 -1.19157111842 1 -1.86482588637 2.150045959666E-17 0.848869041688 1 0.161115980412 1.66008648645 -1.19157111842 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide --> 6-*- 6 (6)4-Am-Benzenesulfonamide ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ 6 16.9068057473 -0.243177970445 1.059325119563E-16 6 12.0155875324 1.65600530852 7.874007219591E-16 6 15.7028346951 0.252939874960 2.26622819153 6 15.7028346951 0.252939874960 -2.26622819153 6 13.2672687790 1.18799231963 -2.25851621977 6 13.2672687790 1.18799231963 2.25851621977 1 16.6905927723 -4.935959543974E-02 4.00587781127 1 16.6905927723 -4.935959543974E-02 -4.00587781127 1 12.3418929399 1.58361797677 -4.01758126227 1 12.3418929399 1.58361797677 4.01758126227 16 19.9613139677 -1.48061075670 -3.396565444380E-16 8 21.0975033451 -0.827628604396 -2.36965497358 8 21.0975033451 -0.827628604396 2.36965497358 7 19.6140817394 -4.50363661503 -1.520890767875E-15 1 19.6563448244 -5.45686048237 1.62850009449 1 19.6563448244 -5.45686048237 -1.62850009449 6 9.31463490683 2.60509907624 1.124910972962E-15 1 8.98767928251 3.77103356608 1.65353820795 1 8.98767928251 3.77103356608 -1.65353820795 6 7.41754404250 0.378508099205 2.354035425308E-16 1 7.75886683358 -0.788097380015 1.65185162751 1 7.75886683358 -0.788097380015 -1.65185162751 6 4.65268631611 1.28701345345 5.563510498846E-16 1 4.32004736793 2.45842354097 1.65339251008 1 4.32004736793 2.45842354097 -1.65339251008 6 2.76072678768 -0.925807775628 -3.277337893163E-16 1 3.09073708924 -2.09665994535 1.65204135600 1 3.09073708924 -2.09665994535 -1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 1.14184653845 1.66034613480 1 -1.30590878374 -1.57901648689 -6.303379891292E-16 1 -0.377248445559 1.14184653845 -1.66034613480 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ 6 12.0127056291 -0.467319191248 0.111806432972 6 6.97352093600 0.759917308701 4.748266917407E-02 6 10.2217532895 -2.37079219426 0.152809003460 6 11.3033419938 2.04980757052 9.307700569057E-02 6 8.76972951282 2.66113662451 5.092383423729E-02 6 7.68607351310 -1.75397861179 0.112223563757 1 10.8183018721 -4.29997421278 0.259688127616 1 12.7207799808 3.49060386186 0.155267676093 1 8.15790328645 4.58878364063 3.776105769249E-02 1 6.26630294078 -3.18887845369 0.146456888627 16 15.2263520177 -1.25494370756 8.406950718910E-02 8 16.5763713396 0.857729096636 1.09992283794 8 15.4471228542 -3.74394477194 1.12115495093 7 15.9595091226 -1.44681230628 -2.85648386684 1 15.9368640683 -3.12142107712 -3.72820018659 1 16.7225609771 3.868535428217E-02 -3.73740008869 6 4.28110783217 1.51706821998 4.380793909740E-03 8 3.53735775286 3.67127241182 -4.627237069106E-02 8 2.70645115658 -0.479140449071 2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 1.08656629775 1.64022531142 1 -0.866069129495 -1.83937203385 2.906081667564E-02 1 -0.516390062658 1.02531407580 -1.68530034526 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ 6 9.25649635012 -1.80846527957 -9.292601243073E-02 6 4.49653007628 0.252386364964 -5.563329730033E-02 6 8.97661510100 0.790299344150 -0.119114341606 6 7.17209172246 -3.38798511785 -0.102169685012 6 4.78224687467 -2.34735739516 -7.329320901833E-02 6 6.58177520099 1.82758693433 -9.237860791359E-02 1 10.6170947155 1.96958871556 -0.204027651419 1 7.43391914542 -5.39176377246 -0.175377186833 1 3.13114524169 -3.51529832560 -8.157662744579E-02 1 6.31465409765 3.82860234946 -0.115984151186 16 12.2941652834 -3.11903583590 -4.829871274683E-02 8 12.1064542125 -5.60990047425 -1.08680327140 8 13.9812398042 -1.25851015147 -1.05437846650 7 12.9682120575 -3.43319864541 2.89600901229 1 13.9516579638 -2.09107340260 3.78830088073 1 12.6725674087 -5.08557002470 3.76041888038 6 1.89086902464 1.27466774715 -2.847109335790E-02 8 1.83775228380 3.81438709360 -3.668617006514E-02 6 -0.611334772331 5.09553939230 -2.759474634627E-02 1 -1.67193584771 4.49484752416 -1.66284241111 1 -1.63290597596 4.54650767572 1.65033477868 6 -2.628882640013E-02 7.90958602311 -7.826139859268E-02 1 1.04055063371 8.37091267308 -1.76016592182 1 1.08118978950 8.42305482102 1.56183569609 1 -1.76381943467 8.99262746496 -7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ 6 16.2691799750 -0.861123974289 0.131186883282 6 11.5121945621 1.20427204035 2.028457912686E-02 6 14.1804039648 -2.43212467262 0.170027955664 6 15.9979271981 1.73975638478 9.085209513991E-02 6 13.6053532164 2.77244247494 2.499575182470E-02 6 11.7868447762 -1.39343219905 0.106330752902 1 14.4397111888 -4.43379554927 0.293347888880 1 17.6391790059 2.91927288464 0.155077522013 1 13.3297352136 4.77580185192 -5.280276989638E-03 1 10.1431555114 -2.56525744119 0.138937307621 16 19.3020004227 -2.18348775204 0.134299477251 8 20.9842079738 -0.325733494236 1.15270139607 8 19.0886880558 -4.66812122535 1.18366001761 7 20.0154046741 -2.51391842666 -2.79896253743 1 19.7140075146 -4.16469009410 -3.66423830225 1 21.0264342221 -1.18451012097 -3.67951649332 6 8.98524438142 2.40710164988 -4.683800638368E-02 8 8.62404088094 4.65762117820 -0.119145313158 8 7.09521260910 0.710056286046 -2.027193485411E-02 6 4.48588899364 1.61442012240 -6.043557639931E-02 1 4.18402977757 2.83160191470 1.54997335048 1 4.18851510037 2.69852442655 -1.76429702456 6 2.81774658260 -0.727728392362 3.131445935321E-02 1 3.26511634385 -1.91346199534 -1.57535965464 1 3.26258594609 -1.78075553052 1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 -1.67378352623 6.601676572586E-02 1 -0.468128283684 1.03824231167 -1.70442814436 1 -0.470300494955 1.17038221894 1.61582801791 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ 6 17.9684279399 -1.54301176377 0.149693423226 6 13.6326730870 1.30132688262 2.138183749743E-02 6 15.6426740929 -2.73563073422 0.189786012449 6 18.1438750705 1.06604052147 9.962044033802E-02 6 15.9621451629 2.49057033907 2.523220981312E-02 6 13.4610204855 -1.30509459913 0.117287370756 1 15.5573431966 -4.75166639252 0.321088296824 1 19.9617870444 1.94922244854 0.163264253275 1 16.0314585342 4.51140907128 -1.239461845501E-02 1 11.6418341179 -2.17978662007 0.150641401029 16 20.7317846783 -3.36204210634 0.163987391502 8 22.7051478607 -1.81249173186 1.17548489088 8 20.0987699462 -5.76903704384 1.22508771415 7 21.3801516200 -3.82469400623 -2.76690153273 1 20.8048852121 -5.40607792939 -3.62309870587 1 22.6005200302 -2.68935847433 -3.65393602741 6 11.3472294671 2.91626214998 -5.651370344789E-02 8 9.19665552725 1.56522590120 -3.245613991045E-02 6 6.77856962350 2.90016097853 -8.749655544515E-02 1 6.67652246165 4.14495637472 1.52674105702 1 6.68550306343 4.02593032336 -1.78755983989 6 4.73704841955 0.874096953142 -1.969560988444E-02 1 4.98065500262 -0.246176556333 1.67702200013 1 4.98893864106 -0.366141886882 -1.62964287548 8 11.3745245833 5.19521098803 -0.135688264964 6 2.07271853085 2.04310727132 -6.880948422220E-02 1 1.85408721205 3.17805095775 -1.76397604453 1 1.84594669663 3.29720682002 1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 -1.24962477650 -1.61609500694 1 -1.86381093455 0.848750824383 -3.507941596838E-02 1 0.158113135931 -1.12952769314 1.70286806009 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide --> 11-*- 11 (11)4-COOAm-benzenesulfonamide ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ 6 20.7940103927 1.18292577645 -0.135748344237 6 16.2553748543 -1.32561650568 -1.898358840442E-02 6 18.5653398548 2.54782901355 -0.185991958815 6 20.7714899222 -1.43194635192 -8.119491494154E-02 6 18.4881809521 -2.68752983337 -1.268047644927E-02 6 16.2816292072 1.28621992460 -0.119293218161 1 18.6330826801 4.56430368467 -0.320494210942 1 22.5176825572 -2.45010794741 -0.136961916771 1 18.4044365481 -4.70774521966 2.810073710092E-02 1 14.5338256999 2.29576106594 -0.160475355254 16 23.6871881374 2.78742501086 -0.142668366748 8 25.5411157417 1.09148804236 -1.14525598407 8 23.2417958312 5.23383132605 -1.20898679380 7 24.3589360690 3.20370291968 2.78991772878 1 23.9091509095 4.82809819444 3.64057141352 1 25.4806790933 1.97605258766 3.68426382740 6 13.8540126043 -2.76296861394 5.303453877654E-02 8 11.8120703378 -1.25321399795 2.008307004224E-02 6 9.29901118039 -2.40045989565 6.905102121977E-02 1 9.10783205313 -3.63690786172 -1.54345602431 1 9.11551718001 -3.51245649883 1.77073227684 6 7.41759711942 -0.225163913710 -8.381954772778E-03 1 7.75164296187 0.869303738938 -1.70652575015 1 7.75918159098 0.994644284689 1.60061304784 8 13.7086109469 -5.03734953143 0.135183415616 6 4.67345055952 -1.19177646373 3.443655708758E-02 1 4.36347393069 -2.30467041402 1.73186035831 1 4.35593551642 -2.42824308851 -1.57363269202 6 2.73979046465 0.982603093803 -4.252073111888E-02 1 3.05064854136 2.21942573316 1.56427419659 1 3.04356406783 2.09606747732 -1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 -1.08637600396 1.70287631133 1 -0.357289139629 -1.20966193729 -1.61602453331 1 -1.33734281519 1.55130517970 -5.488380719168E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ 6 22.6680723895 1.90654821224 -0.175233423843 6 18.4884955220 -1.16205594440 -2.429127256041E-02 6 20.2830274345 2.97597725977 -0.173664688758 6 22.9799650421 -0.690079737778 -0.155208703405 6 20.8766221032 -2.22748679265 -6.903817015508E-02 6 18.1799381157 1.43239889865 -8.995095951044E-02 1 20.0909835172 4.98607533718 -0.281845826277 1 24.8405388049 -1.47638787062 -0.250726882769 1 21.0517072441 -4.24227251958 -5.371272626672E-02 1 16.3172055949 2.21104024810 -9.170563306660E-02 16 25.3324936821 3.86769909134 -0.204282249485 8 27.3689282330 2.43608131514 -1.26337330774 8 24.5588648910 6.25073611663 -1.22544756910 7 25.9991456410 4.32704671165 2.72259774632 1 25.3514763748 5.86285263510 3.60932921947 1 27.2925393220 3.24838521296 3.57606690334 6 16.2916230451 -2.89540499983 6.179565244721E-02 8 14.0727663740 -1.65964926922 7.242285012777E-02 6 11.7286122162 -3.12131087053 0.129207796905 1 11.6916371367 -4.36862899705 -1.48585984781 1 11.6980732731 -4.25127283221 1.82879684924 6 9.58109439663 -1.20776499556 6.511610601119E-02 1 9.76756866224 -7.139861485579E-02 -1.62808855633 1 9.76377736159 3.875539761361E-02 1.67952200771 8 16.4397777482 -5.17051756224 0.117582340473 6 6.98540215161 -2.52323506137 0.105275847922 1 6.82580399210 -3.67429399210 1.79800400123 1 6.83170567671 -3.78372128405 -1.50810456154 6 4.78702881724 -0.616612023999 3.768403587990E-02 1 4.93145580826 0.642205670084 1.65293843334 1 4.94358499840 0.538158692436 -1.65236070615 6 2.18592326697 -1.92237034783 6.880796847135E-02 1 2.02940000857 -3.07742276656 1.75724206468 1 2.04230086267 -3.18049871305 -1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 1.24972460005 1.62283624211 1 -1.81555813970 -0.949604486281 2.171294654113E-02 1 0.101559387270 1.14661307089 -1.69643499199 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ 6 12.2734251286 -0.428907088210 3.130417300445E-02 6 7.16512558575 0.605433656762 0.183825719733 6 10.5713708299 -2.37495748345 0.399070980710 6 11.4474717344 2.04279012262 -0.176766780326 6 8.89344536670 2.55194533980 -9.586430260886E-02 6 8.01368059796 -1.85426065145 0.469957115655 1 11.2546633574 -4.25736622768 0.680203900338 1 12.7976479862 3.53900012680 -0.347716707934 1 8.19737481149 4.44495294702 -0.221953717805 1 6.71862383287 -3.36899815646 0.820375895056 16 15.5058925312 -1.09988548484 -0.139878058083 8 16.8322621021 1.12838754297 0.629587328980 8 15.8847585470 -3.49504260894 1.06180455980 7 16.0744500874 -1.48770706952 -3.09912365385 1 16.0632182407 -3.22273094432 -3.84357473139 1 16.7466970697 -5.130502478586E-02 -4.12393032748 6 4.42868586731 1.35626047301 0.252477484269 8 3.82938195486 3.56208325758 0.576406362775 7 2.71818896568 -0.506140006335 -9.280093005674E-02 1 3.27509805498 -2.22468116302 -0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 1.90115557994 0.684101664629 1 -0.922458262213 -1.31460329988 1.26745769935 1 -0.840700153890 -0.156106480461 -1.86072422508 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ 6 13.4991057155 -0.357473590767 0.713811663238 6 8.48076024177 0.503164540210 -0.416629781928 6 11.8631397624 -2.37874757162 0.473562136431 6 12.6300343135 2.09621222127 0.471550344568 6 10.1214739007 2.51780523488 -9.207153793854E-02 6 9.35258280198 -1.94453974915 -9.759660250163E-02 1 12.5459565012 -4.25659611519 0.784414249864 1 13.8986334476 3.64265027953 0.771481617840 1 9.38607236031 4.39164092392 -0.267910179188 1 8.09763925784 -3.52677510687 -0.221740185849 16 16.6935460046 -0.912646421298 1.35805736093 8 17.6544840841 1.28364835574 2.61076734769 8 16.8676643394 -3.38662077444 2.44146121239 7 18.0366372567 -1.03700758771 -1.36404066179 1 18.3163089429 -2.70480564337 -2.20359468998 1 18.8696549651 0.501492704799 -2.07432409737 6 5.78952802473 1.16981982693 -1.02631101775 8 5.04502030288 3.34753860849 -0.814795268017 7 4.26922563055 -0.704156458501 -1.84300557024 1 4.93783248921 -2.42933031646 -2.15895801923 6 1.59945609057 -0.196996634022 -2.41475962510 1 1.48860461593 1.55437999117 -3.45794673312 1 0.926691554047 -1.71487444573 -3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 -1.73213272312 1.08507996536 1 -1.96325947579 0.346439546764 -0.473696207925 1 0.684941159121 1.55321650721 1.13775889828 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ 6 16.3895792015 -0.240489114104 0.536193806704 6 11.2920888992 0.451096170868 -0.326090712247 6 14.8194157858 -2.31710236513 0.332180772567 6 15.4194231089 2.18266311147 0.390199489610 6 12.8721086867 2.51961306172 -4.014493484245E-02 6 12.2689440408 -1.96736827272 -0.104588496551 1 15.5860110543 -4.17358955286 0.566758904214 1 16.6431929451 3.77015985899 0.660657202547 1 12.0602052934 4.36724803133 -0.139997105688 1 11.0701659350 -3.59425419512 -0.203144347206 16 19.6304263353 -0.686794962887 1.01096050120 8 20.5702877543 1.51578267698 2.26860480338 8 19.9498684877 -3.17604514588 2.02400342944 7 20.8410111234 -0.697292062619 -1.77517976903 1 21.1380020961 -2.33317949807 -2.66979007743 1 21.5834993494 0.887153761337 -2.48491793384 6 8.55072081282 1.02933075625 -0.787372576289 8 7.74481307558 3.17762575485 -0.511396947249 7 7.05397038251 -0.888627903207 -1.54546896295 1 7.76234008752 -2.58922394741 -1.90477240945 6 4.34412151772 -0.471267660613 -1.97617977221 1 4.11567022133 1.31564616149 -2.93907082096 1 3.66918162500 -1.96785234101 -3.19655760703 6 2.83322401463 -0.431124044979 0.504279368481 1 3.11335731365 -2.20436047481 1.49304292078 1 3.57440415444 1.07510116992 1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 -1.49697720468 -1.17000519138 1 -0.298267921192 1.78626047228 -0.960482973300 1 -1.05317079190 4.110766263255E-02 1.75580559418 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ 6 17.9683881599 -0.297292077107 1.27536857331 6 13.1074956167 0.472207080671 -0.453228519305 6 16.4795229986 -2.34875635930 0.647864180363 6 17.0206311288 2.13415723988 1.11906109396 6 14.5917090576 2.50997045525 0.254800853982 6 14.0483817764 -1.95969349025 -0.221879028027 1 17.2064313178 -4.21995575715 0.891477750401 1 18.1611556206 3.69459587591 1.71498801728 1 13.7960455627 4.36328224970 0.132995603972 1 12.9022737548 -3.57153468866 -0.648336550217 16 21.0720806852 -0.788022958085 2.30216806175 8 21.7468110653 1.31897174983 3.85840867623 8 21.2227851157 -3.34246112332 3.18367143395 7 22.7709964146 -0.611425397042 -0.210357613229 1 23.2419454469 -2.18327885030 -1.14424461781 1 23.6155189330 1.01555484106 -0.663326749229 6 10.4913649952 1.09295624704 -1.36656090135 8 9.63574908684 3.22390935997 -1.10529668512 7 9.16801166064 -0.764206510305 -2.50274977654 1 9.93546118641 -2.44582902745 -2.82792804056 6 6.57752127994 -0.303665749238 -3.38789268707 1 6.51903031968 1.54105374663 -4.26306789461 1 6.14310735722 -1.71711069845 -4.80129056636 6 4.64548715274 -0.408008321980 -1.22155256882 1 4.74877437287 -2.24262500055 -0.310278321539 1 5.15722580814 1.01799017637 0.154647286614 6 1.93810690142 7.135985398158E-02 -2.17182509407 1 1.44127945712 -1.34174421826 -3.57579700736 1 1.85954730813 1.90266503311 -3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 -1.83021062745 0.923376785869 1 -1.89573167271 0.347838378411 -0.695134146311 1 0.441627040364 1.42860412068 1.40142839635 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ 6 20.7991290262 -0.173784562617 0.967430943750 6 15.8208872142 0.493809018334 -0.438608973922 6 19.3262977014 -2.25396162951 0.398797961368 6 19.7814511456 2.23370706654 0.914828584962 6 17.2935652430 2.55864272562 0.212496983470 6 16.8360353316 -1.91574159282 -0.309779724471 1 20.1142731917 -4.10895290340 0.564237775091 1 20.9173363920 3.81385503923 1.46592508350 1 16.4442776257 4.39176179105 0.176203941180 1 15.7049640512 -3.54969525139 -0.689919799457 16 23.9730508168 -0.598035781202 1.78812191880 8 24.6931739735 1.50517256805 3.32907555178 8 24.2435498230 -3.15901002899 2.62060021432 7 25.5033852023 -0.345442345150 -0.824002123731 1 25.9537944258 -1.89269407830 -1.80776047178 1 26.2758209659 1.30859530159 -1.30662787836 6 13.1364605614 1.05636550436 -1.17304363784 8 12.2342106329 3.15067883783 -0.798066467619 7 11.8045299533 -0.811050923403 -2.28280920599 1 12.6074301426 -2.45211797021 -2.71333127911 6 9.14976160456 -0.415244685406 -2.99139374910 1 8.97576642824 1.45199356268 -3.80070440505 1 8.67465458601 -1.79959917137 -4.42036175613 6 7.36177114450 -0.653459671476 -0.714423221458 1 7.91441927685 0.744818521689 0.674421622847 1 7.58140029875 -2.51170351436 0.125580462120 6 4.58736232398 -0.234912622601 -1.48206692652 1 4.39235199539 1.62338779407 -2.33305194788 1 4.04706318167 -1.61793167812 -2.90215796291 6 2.76982943896 -0.437731877559 0.782841872202 1 3.30844365759 0.941827465806 2.20173367200 1 2.95663454185 -2.29447008586 1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 1.86570407362 -0.817672243790 1 -1.25343256978 -0.149457481471 1.61416779080 1 -0.583961285311 -1.38598079582 -1.39357136739 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ 6 22.5771469666 1.15315062242 -1.33850011954 6 17.8425169573 -0.576156120662 2.234632623383E-03 6 21.1633719312 2.48100690435 0.409962720559 6 21.6107089723 -0.989908679563 -2.48228696960 6 19.2440933876 -1.84630992232 -1.80831765324 6 18.7957098516 1.60947522179 1.08290543351 1 21.8946454585 4.19945910018 1.18536236676 1 22.6855831307 -1.93339152381 -3.91236744583 1 18.4339240240 -3.48182972505 -2.67523222275 1 17.7008464917 2.68987866802 2.39737300535 16 25.6065323789 2.21318301591 -2.12963917739 8 26.1459122384 1.31654885736 -4.62396311682 8 25.7256214254 4.83779591130 -1.48007485887 7 27.4751893457 0.743706108843 -0.237803865057 1 28.0301701289 1.56579060238 1.36866835464 1 28.3270991466 -0.844667304544 -0.800499116961 6 15.2894950371 -1.66650661716 0.597501874580 8 14.3687896107 -3.29889550467 -0.754640571509 7 14.1000853631 -0.805668522375 2.68023465397 1 14.9377893462 0.404137958512 3.84561620167 6 11.5717591707 -1.74173503480 3.34228248627 1 11.5333026393 -3.75907383560 3.02446283844 1 11.2783293185 -1.38337013554 5.33468474421 6 9.48677589010 -0.474256852886 1.76614598946 1 9.86157341390 -0.860340863107 -0.208498546579 1 9.56627349941 1.55562313317 2.04857411438 6 6.84855323045 -1.47113086062 2.48064608058 1 6.79648913596 -3.50501120231 2.20511689137 1 6.49229173351 -1.11341496630 4.47217285833 6 4.73751179529 -0.241051054790 0.898179482966 1 5.09253015610 -0.596968801207 -1.09184063865 1 4.78211518922 1.79347499883 1.17152183930 6 2.09502690272 -1.24324747214 1.59513297750 1 2.05024617966 -3.27578983933 1.31947880152 1 1.74096952081 -0.890659058047 3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 2.03079721447 0.281447018883 1 -1.84622701379 -0.726603423243 0.512706719913 1 0.300397382099 -0.366813160548 -1.99443311341 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ 6 25.3713425036 -1.29078949634 0.355162756323 6 20.4999091352 0.573560077356 0.364133120434 6 23.9743069632 -1.31357807398 -1.85095938988 6 24.3252994282 -0.415369237348 2.58530943683 6 21.8910263201 0.513406735149 2.58161342663 6 21.5377263326 -0.374782138985 -1.84407022859 1 24.7750487130 -2.10650345747 -3.53005203392 1 25.3946688774 -0.512004923803 4.29936626465 1 21.0202154713 1.18149772339 4.27815360199 1 20.4612990421 -0.457447519092 -3.55525533127 16 28.4826686810 -2.40691226463 0.326907266351 8 29.0575208275 -3.24882881774 2.83235788148 8 28.7292616886 -4.02045594705 -1.83191149933 7 30.1958247445 4.659798221744E-02 -0.196814783951 1 30.7416402004 0.458650792246 -1.95662063897 1 30.9742895925 0.978036517171 1.24950605113 6 17.8685695062 1.62069402182 0.569037022625 8 16.9121337151 1.98640308405 2.64084945189 7 16.6475838091 2.16728923214 -1.59968433242 1 17.5026399508 2.00396757565 -3.26264024246 6 14.0471178299 3.13731508438 -1.54317890412 1 13.9081475080 4.50575166986 -3.317958501066E-02 1 13.6971642834 4.08287469466 -3.32301791741 6 12.0992929940 1.02487542427 -1.11703967027 1 12.5281848996 0.117796579141 0.666940159516 1 12.2815924673 -0.373262443907 -2.60660342009 6 9.38368726187 2.06734240350 -1.06370511801 1 9.22904530181 3.47641655650 0.421514153709 1 8.97012908132 3.00584669183 -2.84391203155 6 7.40761134032 -2.081885259197E-02 -0.604515659145 1 7.82188979387 -0.959523171789 1.17316216804 1 7.55506462234 -1.43154567156 -2.08911482546 6 4.68976064388 1.01856155618 -0.532987082800 1 4.54337076001 2.42907817719 0.951893386632 1 4.27548433984 1.96002534321 -2.31043907566 6 2.70945778986 -1.06451077238 -7.050369403612E-02 1 2.85286386444 -2.47488702954 -1.55389920638 1 3.12196207310 -2.00541446888 1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 0.913671943654 -1.77644025194 1 -0.190421763470 1.38528862659 1.49931725663 1 -1.36920746468 -1.48906274881 0.327953965063 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ 6 5.04401540573 5.065785560124E-17 -8.565768416162E-02 6 9.27990108396 9.396277336371E-17 2.94283641892 6 6.11045552513 2.27247789332 0.644730598780 6 6.11045552513 -2.27247789332 0.644730598780 6 8.22908048709 -2.26870089799 2.17155776959 6 8.22908048709 2.26870089799 2.17155776959 1 5.30807717985 4.00751998316 -1.696942951703E-02 1 5.30807717985 -4.00751998316 -1.696942951703E-02 1 9.06580730279 -4.02284755065 2.73828333892 1 9.06580730279 4.02284755065 2.73828333892 1 10.9268739609 1.108006638944E-16 4.12165702328 16 2.32566022845 2.288454205577E-17 -1.95862643609 8 2.24799399215 -2.36940193927 -3.26556451771 8 2.24799399215 2.36940193927 -3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 1.62837329388 0.493096431600 1 -0.817594738155 -1.62837329388 0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ 6 8.11007909745 -8.556435899195E-18 -0.100897097935 6 2.86329951331 -2.922536611154E-18 -7.349736953064E-02 6 6.80777063774 -2.26567639154 -0.121232299609 6 6.80777063774 2.26567639154 -0.121232299609 6 4.19897121896 2.25839811190 -9.895828809266E-02 6 4.19897121896 -2.25839811190 -9.895828809266E-02 1 7.83682406515 -4.00573551491 -0.201208431763 1 7.83682406515 4.00573551491 -0.201208431763 1 3.19435364603 4.01778780932 -0.125815986880 1 3.19435364603 -4.01778780932 -0.125815986880 16 11.4059109298 -1.222287901647E-17 -6.903234852523E-02 8 12.2226557176 2.36966347735 -1.09351831769 8 12.2226557176 -2.36966347735 -1.09351831769 7 12.1903871090 -2.070990068685E-17 2.87084462677 1 12.5792272181 -1.62848573258 3.74230825804 1 12.5792272181 1.62848573258 3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 -4.336273740756E-18 1.94437378897 1 -0.758564487207 1.65923610975 -0.927043031519 1 -0.758564487207 -1.65923610975 -0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ 6 9.49515614095 -1.986230634504E-17 -0.330909318726 6 4.54766506655 1.418482302241E-17 1.41449070261 6 8.25938767444 -2.26624765571 7.914581718090E-02 6 8.25938767444 2.26624765571 7.914581718090E-02 6 5.80247435955 2.25843288285 0.956589914867 6 5.80247435955 -2.25843288285 0.956589914867 1 9.20891937494 -4.00630432243 -0.325801090800 1 9.20891937494 4.00630432243 -0.325801090800 1 4.84800788582 4.01788928760 1.27432519389 1 4.84800788582 -4.01788928760 1.27432519389 16 12.6215076530 -4.047871219384E-17 -1.37421975164 8 13.0597966465 2.36964987132 -2.60912294465 8 13.0597966465 -2.36964987132 -2.60912294465 7 14.3219760733 -5.129921083899E-18 1.14895839935 1 14.9723537348 -1.62851785792 1.84712919698 1 14.9723537348 1.62851785792 1.84712919698 6 1.82011448549 3.162508651201E-17 2.28845439361 1 1.46450096442 1.65231782291 3.44535547264 1 1.46450096442 -1.65231782291 3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 1.65855864299 -1.15861699465 1 0.312880607522 -1.65855864299 -1.15861699465 1 -1.95068478995 1.250653597013E-17 0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ 6 12.3462848294 -8.276065163872E-20 -0.219629035968 6 7.27697590475 1.666425406161E-18 1.13352461031 6 11.0821729337 -2.26629036351 9.228879249722E-02 6 11.0821729337 2.26629036351 9.228879249722E-02 6 8.56408820998 2.25853587292 0.774654122839 6 8.56408820998 -2.25853587292 0.774654122839 1 12.0604999845 -4.00629846428 -0.237334526856 1 12.0604999845 4.00629846428 -0.237334526856 1 7.58747623906 4.01782409206 1.01660875510 1 7.58747623906 -4.01782409206 1.01660875510 16 15.5446672699 -1.106855929460E-18 -1.01482146618 8 16.0785895276 2.36961755701 -2.21160547802 8 16.0785895276 -2.36961755701 -2.21160547802 7 17.0423265084 2.516184840979E-18 1.63372129060 1 17.6356158799 -1.62852220429 2.38095755132 1 17.6356158799 1.62852220429 2.38095755132 6 4.48973225005 2.504801715792E-18 1.78668016231 1 4.03784923022 1.65364233185 2.91036104922 1 4.03784923022 -1.65364233185 2.91036104922 6 2.84178543494 -8.061817684800E-19 -0.630150435706 1 3.30689183592 1.64977444070 -1.75284818480 1 3.30689183592 -1.64977444070 -1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 1.66081705451 1.09295879416 1 -1.12447528227 -2.345093436379E-18 -1.71233470070 1 -0.500643208584 -1.66081705451 1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ 6 14.1238159113 -1.214503673567E-17 0.678437661017 6 9.44100667607 -7.329180195868E-17 -1.68836769331 6 12.9508759688 2.26624992338 0.112955994743 6 12.9508759688 -2.26624992338 0.112955994743 6 10.6269754875 -2.25848844080 -1.07270695836 6 10.6269754875 2.25848844080 -1.07270695836 1 13.8404298349 4.00630337757 0.636723693997 1 13.8404298349 -4.00630337757 0.636723693997 1 9.72086351835 -4.01774604637 -1.51016368205 1 9.72086351835 4.01774604637 -1.51016368205 16 17.0896510524 2.469474469544E-17 2.11542048055 8 17.3657436482 -2.36962001365 3.39654871916 8 17.3657436482 2.36962001365 3.39654871916 7 19.1011870389 -4.944166890890E-17 -0.167534197609 1 19.8356986120 1.62853921182 -0.776447021723 1 19.8356986120 -1.62853921182 -0.776447021723 6 6.84711615725 -1.041405701228E-16 -2.90008400935 1 6.63682781461 1.65387609096 -4.09248466188 1 6.63682781461 -1.65387609096 -4.09248466188 6 4.74105840551 -3.748430357849E-17 -0.870168924938 1 4.96583213621 1.65095665328 0.325145161310 1 4.96583213621 -1.65095665328 0.325145161310 6 2.07671001580 -6.693452376398E-17 -2.04129882743 1 1.86017810411 1.65244972578 -3.23844110052 1 1.86017810411 -1.65244972578 -3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 1.66008648645 1.19157111842 1 -1.86482588637 -2.150045959666E-17 -0.848869041688 1 0.161115980412 -1.66008648645 1.19157111842 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide --> 6-*- 6 (6)4-Am-Benzenesulfonamide ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ 6 16.9068057473 0.243177970445 -1.059325119563E-16 6 12.0155875324 -1.65600530852 -7.874007219591E-16 6 15.7028346951 -0.252939874960 -2.26622819153 6 15.7028346951 -0.252939874960 2.26622819153 6 13.2672687790 -1.18799231963 2.25851621977 6 13.2672687790 -1.18799231963 -2.25851621977 1 16.6905927723 4.935959543974E-02 -4.00587781127 1 16.6905927723 4.935959543974E-02 4.00587781127 1 12.3418929399 -1.58361797677 4.01758126227 1 12.3418929399 -1.58361797677 -4.01758126227 16 19.9613139677 1.48061075670 3.396565444380E-16 8 21.0975033451 0.827628604396 2.36965497358 8 21.0975033451 0.827628604396 -2.36965497358 7 19.6140817394 4.50363661503 1.520890767875E-15 1 19.6563448244 5.45686048237 -1.62850009449 1 19.6563448244 5.45686048237 1.62850009449 6 9.31463490683 -2.60509907624 -1.124910972962E-15 1 8.98767928251 -3.77103356608 -1.65353820795 1 8.98767928251 -3.77103356608 1.65353820795 6 7.41754404250 -0.378508099205 -2.354035425308E-16 1 7.75886683358 0.788097380015 -1.65185162751 1 7.75886683358 0.788097380015 1.65185162751 6 4.65268631611 -1.28701345345 -5.563510498846E-16 1 4.32004736793 -2.45842354097 -1.65339251008 1 4.32004736793 -2.45842354097 1.65339251008 6 2.76072678768 0.925807775628 3.277337893163E-16 1 3.09073708924 2.09665994535 -1.65204135600 1 3.09073708924 2.09665994535 1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 -1.14184653845 -1.66034613480 1 -1.30590878374 1.57901648689 6.303379891292E-16 1 -0.377248445559 -1.14184653845 1.66034613480 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ 6 12.0127056291 -0.467319191248 0.111806432972 6 6.97352093600 0.759917308701 4.748266917407E-02 6 10.2217532895 -2.37079219426 0.152809003460 6 11.3033419938 2.04980757052 9.307700569057E-02 6 8.76972951282 2.66113662451 5.092383423729E-02 6 7.68607351310 -1.75397861179 0.112223563757 1 10.8183018721 -4.29997421278 0.259688127616 1 12.7207799808 3.49060386186 0.155267676093 1 8.15790328645 4.58878364063 3.776105769249E-02 1 6.26630294078 -3.18887845369 0.146456888627 16 15.2263520177 -1.25494370756 8.406950718910E-02 8 16.5763713396 0.857729096636 1.09992283794 8 15.4471228542 -3.74394477194 1.12115495093 7 15.9595091226 -1.44681230628 -2.85648386684 1 15.9368640683 -3.12142107712 -3.72820018659 1 16.7225609771 3.868535428217E-02 -3.73740008869 6 4.28110783217 1.51706821998 4.380793909740E-03 8 3.53735775286 3.67127241182 -4.627237069106E-02 8 2.70645115658 -0.479140449071 2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 1.08656629775 1.64022531142 1 -0.866069129495 -1.83937203385 2.906081667564E-02 1 -0.516390062658 1.02531407580 -1.68530034526 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ 6 9.25649635012 1.80846527957 9.292601243073E-02 6 4.49653007628 -0.252386364964 5.563329730033E-02 6 8.97661510100 -0.790299344150 0.119114341606 6 7.17209172246 3.38798511785 0.102169685012 6 4.78224687467 2.34735739516 7.329320901833E-02 6 6.58177520099 -1.82758693433 9.237860791359E-02 1 10.6170947155 -1.96958871556 0.204027651419 1 7.43391914542 5.39176377246 0.175377186833 1 3.13114524169 3.51529832560 8.157662744579E-02 1 6.31465409765 -3.82860234946 0.115984151186 16 12.2941652834 3.11903583590 4.829871274683E-02 8 12.1064542125 5.60990047425 1.08680327140 8 13.9812398042 1.25851015147 1.05437846650 7 12.9682120575 3.43319864541 -2.89600901229 1 13.9516579638 2.09107340260 -3.78830088073 1 12.6725674087 5.08557002470 -3.76041888038 6 1.89086902464 -1.27466774715 2.847109335790E-02 8 1.83775228380 -3.81438709360 3.668617006514E-02 6 -0.611334772331 -5.09553939230 2.759474634627E-02 1 -1.67193584771 -4.49484752416 1.66284241111 1 -1.63290597596 -4.54650767572 -1.65033477868 6 -2.628882640013E-02 -7.90958602311 7.826139859268E-02 1 1.04055063371 -8.37091267308 1.76016592182 1 1.08118978950 -8.42305482102 -1.56183569609 1 -1.76381943467 -8.99262746496 7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ 6 16.2691799750 0.861123974289 -0.131186883282 6 11.5121945621 -1.20427204035 -2.028457912686E-02 6 14.1804039648 2.43212467262 -0.170027955664 6 15.9979271981 -1.73975638478 -9.085209513991E-02 6 13.6053532164 -2.77244247494 -2.499575182470E-02 6 11.7868447762 1.39343219905 -0.106330752902 1 14.4397111888 4.43379554927 -0.293347888880 1 17.6391790059 -2.91927288464 -0.155077522013 1 13.3297352136 -4.77580185192 5.280276989638E-03 1 10.1431555114 2.56525744119 -0.138937307621 16 19.3020004227 2.18348775204 -0.134299477251 8 20.9842079738 0.325733494236 -1.15270139607 8 19.0886880558 4.66812122535 -1.18366001761 7 20.0154046741 2.51391842666 2.79896253743 1 19.7140075146 4.16469009410 3.66423830225 1 21.0264342221 1.18451012097 3.67951649332 6 8.98524438142 -2.40710164988 4.683800638368E-02 8 8.62404088094 -4.65762117820 0.119145313158 8 7.09521260910 -0.710056286046 2.027193485411E-02 6 4.48588899364 -1.61442012240 6.043557639931E-02 1 4.18402977757 -2.83160191470 -1.54997335048 1 4.18851510037 -2.69852442655 1.76429702456 6 2.81774658260 0.727728392362 -3.131445935321E-02 1 3.26511634385 1.91346199534 1.57535965464 1 3.26258594609 1.78075553052 -1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 1.67378352623 -6.601676572586E-02 1 -0.468128283684 -1.03824231167 1.70442814436 1 -0.470300494955 -1.17038221894 -1.61582801791 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ 6 17.9684279399 1.54301176377 -0.149693423226 6 13.6326730870 -1.30132688262 -2.138183749743E-02 6 15.6426740929 2.73563073422 -0.189786012449 6 18.1438750705 -1.06604052147 -9.962044033802E-02 6 15.9621451629 -2.49057033907 -2.523220981312E-02 6 13.4610204855 1.30509459913 -0.117287370756 1 15.5573431966 4.75166639252 -0.321088296824 1 19.9617870444 -1.94922244854 -0.163264253275 1 16.0314585342 -4.51140907128 1.239461845501E-02 1 11.6418341179 2.17978662007 -0.150641401029 16 20.7317846783 3.36204210634 -0.163987391502 8 22.7051478607 1.81249173186 -1.17548489088 8 20.0987699462 5.76903704384 -1.22508771415 7 21.3801516200 3.82469400623 2.76690153273 1 20.8048852121 5.40607792939 3.62309870587 1 22.6005200302 2.68935847433 3.65393602741 6 11.3472294671 -2.91626214998 5.651370344789E-02 8 9.19665552725 -1.56522590120 3.245613991045E-02 6 6.77856962350 -2.90016097853 8.749655544515E-02 1 6.67652246165 -4.14495637472 -1.52674105702 1 6.68550306343 -4.02593032336 1.78755983989 6 4.73704841955 -0.874096953142 1.969560988444E-02 1 4.98065500262 0.246176556333 -1.67702200013 1 4.98893864106 0.366141886882 1.62964287548 8 11.3745245833 -5.19521098803 0.135688264964 6 2.07271853085 -2.04310727132 6.880948422220E-02 1 1.85408721205 -3.17805095775 1.76397604453 1 1.84594669663 -3.29720682002 -1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 1.24962477650 1.61609500694 1 -1.86381093455 -0.848750824383 3.507941596838E-02 1 0.158113135931 1.12952769314 -1.70286806009 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide --> 11-*- 11 (11)4-COOAm-benzenesulfonamide ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ 6 20.7940103927 -1.18292577645 0.135748344237 6 16.2553748543 1.32561650568 1.898358840442E-02 6 18.5653398548 -2.54782901355 0.185991958815 6 20.7714899222 1.43194635192 8.119491494154E-02 6 18.4881809521 2.68752983337 1.268047644927E-02 6 16.2816292072 -1.28621992460 0.119293218161 1 18.6330826801 -4.56430368467 0.320494210942 1 22.5176825572 2.45010794741 0.136961916771 1 18.4044365481 4.70774521966 -2.810073710092E-02 1 14.5338256999 -2.29576106594 0.160475355254 16 23.6871881374 -2.78742501086 0.142668366748 8 25.5411157417 -1.09148804236 1.14525598407 8 23.2417958312 -5.23383132605 1.20898679380 7 24.3589360690 -3.20370291968 -2.78991772878 1 23.9091509095 -4.82809819444 -3.64057141352 1 25.4806790933 -1.97605258766 -3.68426382740 6 13.8540126043 2.76296861394 -5.303453877654E-02 8 11.8120703378 1.25321399795 -2.008307004224E-02 6 9.29901118039 2.40045989565 -6.905102121977E-02 1 9.10783205313 3.63690786172 1.54345602431 1 9.11551718001 3.51245649883 -1.77073227684 6 7.41759711942 0.225163913710 8.381954772778E-03 1 7.75164296187 -0.869303738938 1.70652575015 1 7.75918159098 -0.994644284689 -1.60061304784 8 13.7086109469 5.03734953143 -0.135183415616 6 4.67345055952 1.19177646373 -3.443655708758E-02 1 4.36347393069 2.30467041402 -1.73186035831 1 4.35593551642 2.42824308851 1.57363269202 6 2.73979046465 -0.982603093803 4.252073111888E-02 1 3.05064854136 -2.21942573316 -1.56427419659 1 3.04356406783 -2.09606747732 1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 1.08637600396 -1.70287631133 1 -0.357289139629 1.20966193729 1.61602453331 1 -1.33734281519 -1.55130517970 5.488380719168E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ 6 22.6680723895 1.90654821224 -0.175233423843 6 18.4884955220 -1.16205594440 -2.429127256041E-02 6 20.2830274345 2.97597725977 -0.173664688758 6 22.9799650421 -0.690079737778 -0.155208703405 6 20.8766221032 -2.22748679265 -6.903817015508E-02 6 18.1799381157 1.43239889865 -8.995095951044E-02 1 20.0909835172 4.98607533718 -0.281845826277 1 24.8405388049 -1.47638787062 -0.250726882769 1 21.0517072441 -4.24227251958 -5.371272626672E-02 1 16.3172055949 2.21104024810 -9.170563306660E-02 16 25.3324936821 3.86769909134 -0.204282249485 8 27.3689282330 2.43608131514 -1.26337330774 8 24.5588648910 6.25073611663 -1.22544756910 7 25.9991456410 4.32704671165 2.72259774632 1 25.3514763748 5.86285263510 3.60932921947 1 27.2925393220 3.24838521296 3.57606690334 6 16.2916230451 -2.89540499983 6.179565244721E-02 8 14.0727663740 -1.65964926922 7.242285012777E-02 6 11.7286122162 -3.12131087053 0.129207796905 1 11.6916371367 -4.36862899705 -1.48585984781 1 11.6980732731 -4.25127283221 1.82879684924 6 9.58109439663 -1.20776499556 6.511610601119E-02 1 9.76756866224 -7.139861485579E-02 -1.62808855633 1 9.76377736159 3.875539761361E-02 1.67952200771 8 16.4397777482 -5.17051756224 0.117582340473 6 6.98540215161 -2.52323506137 0.105275847922 1 6.82580399210 -3.67429399210 1.79800400123 1 6.83170567671 -3.78372128405 -1.50810456154 6 4.78702881724 -0.616612023999 3.768403587990E-02 1 4.93145580826 0.642205670084 1.65293843334 1 4.94358499840 0.538158692436 -1.65236070615 6 2.18592326697 -1.92237034783 6.880796847135E-02 1 2.02940000857 -3.07742276656 1.75724206468 1 2.04230086267 -3.18049871305 -1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 1.24972460005 1.62283624211 1 -1.81555813970 -0.949604486281 2.171294654113E-02 1 0.101559387270 1.14661307089 -1.69643499199 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ 6 12.2734251286 -0.428907088210 3.130417300445E-02 6 7.16512558575 0.605433656762 0.183825719733 6 10.5713708299 -2.37495748345 0.399070980710 6 11.4474717344 2.04279012262 -0.176766780326 6 8.89344536670 2.55194533980 -9.586430260886E-02 6 8.01368059796 -1.85426065145 0.469957115655 1 11.2546633574 -4.25736622768 0.680203900338 1 12.7976479862 3.53900012680 -0.347716707934 1 8.19737481149 4.44495294702 -0.221953717805 1 6.71862383287 -3.36899815646 0.820375895056 16 15.5058925312 -1.09988548484 -0.139878058083 8 16.8322621021 1.12838754297 0.629587328980 8 15.8847585470 -3.49504260894 1.06180455980 7 16.0744500874 -1.48770706952 -3.09912365385 1 16.0632182407 -3.22273094432 -3.84357473139 1 16.7466970697 -5.130502478586E-02 -4.12393032748 6 4.42868586731 1.35626047301 0.252477484269 8 3.82938195486 3.56208325758 0.576406362775 7 2.71818896568 -0.506140006335 -9.280093005674E-02 1 3.27509805498 -2.22468116302 -0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 1.90115557994 0.684101664629 1 -0.922458262213 -1.31460329988 1.26745769935 1 -0.840700153890 -0.156106480461 -1.86072422508 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ 6 13.4991057155 -0.357473590767 0.713811663238 6 8.48076024177 0.503164540210 -0.416629781928 6 11.8631397624 -2.37874757162 0.473562136431 6 12.6300343135 2.09621222127 0.471550344568 6 10.1214739007 2.51780523488 -9.207153793854E-02 6 9.35258280198 -1.94453974915 -9.759660250163E-02 1 12.5459565012 -4.25659611519 0.784414249864 1 13.8986334476 3.64265027953 0.771481617840 1 9.38607236031 4.39164092392 -0.267910179188 1 8.09763925784 -3.52677510687 -0.221740185849 16 16.6935460046 -0.912646421298 1.35805736093 8 17.6544840841 1.28364835574 2.61076734769 8 16.8676643394 -3.38662077444 2.44146121239 7 18.0366372567 -1.03700758771 -1.36404066179 1 18.3163089429 -2.70480564337 -2.20359468998 1 18.8696549651 0.501492704799 -2.07432409737 6 5.78952802473 1.16981982693 -1.02631101775 8 5.04502030288 3.34753860849 -0.814795268017 7 4.26922563055 -0.704156458501 -1.84300557024 1 4.93783248921 -2.42933031646 -2.15895801923 6 1.59945609057 -0.196996634022 -2.41475962510 1 1.48860461593 1.55437999117 -3.45794673312 1 0.926691554047 -1.71487444573 -3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 -1.73213272312 1.08507996536 1 -1.96325947579 0.346439546764 -0.473696207925 1 0.684941159121 1.55321650721 1.13775889828 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ 6 16.3895792015 0.240489114104 -0.536193806704 6 11.2920888992 -0.451096170868 0.326090712247 6 14.8194157858 2.31710236513 -0.332180772567 6 15.4194231089 -2.18266311147 -0.390199489610 6 12.8721086867 -2.51961306172 4.014493484245E-02 6 12.2689440408 1.96736827272 0.104588496551 1 15.5860110543 4.17358955286 -0.566758904214 1 16.6431929451 -3.77015985899 -0.660657202547 1 12.0602052934 -4.36724803133 0.139997105688 1 11.0701659350 3.59425419512 0.203144347206 16 19.6304263353 0.686794962887 -1.01096050120 8 20.5702877543 -1.51578267698 -2.26860480338 8 19.9498684877 3.17604514588 -2.02400342944 7 20.8410111234 0.697292062619 1.77517976903 1 21.1380020961 2.33317949807 2.66979007743 1 21.5834993494 -0.887153761337 2.48491793384 6 8.55072081282 -1.02933075625 0.787372576289 8 7.74481307558 -3.17762575485 0.511396947249 7 7.05397038251 0.888627903207 1.54546896295 1 7.76234008752 2.58922394741 1.90477240945 6 4.34412151772 0.471267660613 1.97617977221 1 4.11567022133 -1.31564616149 2.93907082096 1 3.66918162500 1.96785234101 3.19655760703 6 2.83322401463 0.431124044979 -0.504279368481 1 3.11335731365 2.20436047481 -1.49304292078 1 3.57440415444 -1.07510116992 -1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 1.49697720468 1.17000519138 1 -0.298267921192 -1.78626047228 0.960482973300 1 -1.05317079190 -4.110766263255E-02 -1.75580559418 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ 6 17.9683881599 -0.297292077107 1.27536857331 6 13.1074956167 0.472207080671 -0.453228519305 6 16.4795229986 -2.34875635930 0.647864180363 6 17.0206311288 2.13415723988 1.11906109396 6 14.5917090576 2.50997045525 0.254800853982 6 14.0483817764 -1.95969349025 -0.221879028027 1 17.2064313178 -4.21995575715 0.891477750401 1 18.1611556206 3.69459587591 1.71498801728 1 13.7960455627 4.36328224970 0.132995603972 1 12.9022737548 -3.57153468866 -0.648336550217 16 21.0720806852 -0.788022958085 2.30216806175 8 21.7468110653 1.31897174983 3.85840867623 8 21.2227851157 -3.34246112332 3.18367143395 7 22.7709964146 -0.611425397042 -0.210357613229 1 23.2419454469 -2.18327885030 -1.14424461781 1 23.6155189330 1.01555484106 -0.663326749229 6 10.4913649952 1.09295624704 -1.36656090135 8 9.63574908684 3.22390935997 -1.10529668512 7 9.16801166064 -0.764206510305 -2.50274977654 1 9.93546118641 -2.44582902745 -2.82792804056 6 6.57752127994 -0.303665749238 -3.38789268707 1 6.51903031968 1.54105374663 -4.26306789461 1 6.14310735722 -1.71711069845 -4.80129056636 6 4.64548715274 -0.408008321980 -1.22155256882 1 4.74877437287 -2.24262500055 -0.310278321539 1 5.15722580814 1.01799017637 0.154647286614 6 1.93810690142 7.135985398158E-02 -2.17182509407 1 1.44127945712 -1.34174421826 -3.57579700736 1 1.85954730813 1.90266503311 -3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 -1.83021062745 0.923376785869 1 -1.89573167271 0.347838378411 -0.695134146311 1 0.441627040364 1.42860412068 1.40142839635 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ 6 20.7991290262 0.173784562617 -0.967430943750 6 15.8208872142 -0.493809018334 0.438608973922 6 19.3262977014 2.25396162951 -0.398797961368 6 19.7814511456 -2.23370706654 -0.914828584962 6 17.2935652430 -2.55864272562 -0.212496983470 6 16.8360353316 1.91574159282 0.309779724471 1 20.1142731917 4.10895290340 -0.564237775091 1 20.9173363920 -3.81385503923 -1.46592508350 1 16.4442776257 -4.39176179105 -0.176203941180 1 15.7049640512 3.54969525139 0.689919799457 16 23.9730508168 0.598035781202 -1.78812191880 8 24.6931739735 -1.50517256805 -3.32907555178 8 24.2435498230 3.15901002899 -2.62060021432 7 25.5033852023 0.345442345150 0.824002123731 1 25.9537944258 1.89269407830 1.80776047178 1 26.2758209659 -1.30859530159 1.30662787836 6 13.1364605614 -1.05636550436 1.17304363784 8 12.2342106329 -3.15067883783 0.798066467619 7 11.8045299533 0.811050923403 2.28280920599 1 12.6074301426 2.45211797021 2.71333127911 6 9.14976160456 0.415244685406 2.99139374910 1 8.97576642824 -1.45199356268 3.80070440505 1 8.67465458601 1.79959917137 4.42036175613 6 7.36177114450 0.653459671476 0.714423221458 1 7.91441927685 -0.744818521689 -0.674421622847 1 7.58140029875 2.51170351436 -0.125580462120 6 4.58736232398 0.234912622601 1.48206692652 1 4.39235199539 -1.62338779407 2.33305194788 1 4.04706318167 1.61793167812 2.90215796291 6 2.76982943896 0.437731877559 -0.782841872202 1 3.30844365759 -0.941827465806 -2.20173367200 1 2.95663454185 2.29447008586 -1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 -1.86570407362 0.817672243790 1 -1.25343256978 0.149457481471 -1.61416779080 1 -0.583961285311 1.38598079582 1.39357136739 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ 6 22.5771469666 -1.15315062242 1.33850011954 6 17.8425169573 0.576156120662 -2.234632623383E-03 6 21.1633719312 -2.48100690435 -0.409962720559 6 21.6107089723 0.989908679563 2.48228696960 6 19.2440933876 1.84630992232 1.80831765324 6 18.7957098516 -1.60947522179 -1.08290543351 1 21.8946454585 -4.19945910018 -1.18536236676 1 22.6855831307 1.93339152381 3.91236744583 1 18.4339240240 3.48182972505 2.67523222275 1 17.7008464917 -2.68987866802 -2.39737300535 16 25.6065323789 -2.21318301591 2.12963917739 8 26.1459122384 -1.31654885736 4.62396311682 8 25.7256214254 -4.83779591130 1.48007485887 7 27.4751893457 -0.743706108843 0.237803865057 1 28.0301701289 -1.56579060238 -1.36866835464 1 28.3270991466 0.844667304544 0.800499116961 6 15.2894950371 1.66650661716 -0.597501874580 8 14.3687896107 3.29889550467 0.754640571509 7 14.1000853631 0.805668522375 -2.68023465397 1 14.9377893462 -0.404137958512 -3.84561620167 6 11.5717591707 1.74173503480 -3.34228248627 1 11.5333026393 3.75907383560 -3.02446283844 1 11.2783293185 1.38337013554 -5.33468474421 6 9.48677589010 0.474256852886 -1.76614598946 1 9.86157341390 0.860340863107 0.208498546579 1 9.56627349941 -1.55562313317 -2.04857411438 6 6.84855323045 1.47113086062 -2.48064608058 1 6.79648913596 3.50501120231 -2.20511689137 1 6.49229173351 1.11341496630 -4.47217285833 6 4.73751179529 0.241051054790 -0.898179482966 1 5.09253015610 0.596968801207 1.09184063865 1 4.78211518922 -1.79347499883 -1.17152183930 6 2.09502690272 1.24324747214 -1.59513297750 1 2.05024617966 3.27578983933 -1.31947880152 1 1.74096952081 0.890659058047 -3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 -2.03079721447 -0.281447018883 1 -1.84622701379 0.726603423243 -0.512706719913 1 0.300397382099 0.366813160548 1.99443311341 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ 6 25.3713425036 -1.29078949634 0.355162756323 6 20.4999091352 0.573560077356 0.364133120434 6 23.9743069632 -1.31357807398 -1.85095938988 6 24.3252994282 -0.415369237348 2.58530943683 6 21.8910263201 0.513406735149 2.58161342663 6 21.5377263326 -0.374782138985 -1.84407022859 1 24.7750487130 -2.10650345747 -3.53005203392 1 25.3946688774 -0.512004923803 4.29936626465 1 21.0202154713 1.18149772339 4.27815360199 1 20.4612990421 -0.457447519092 -3.55525533127 16 28.4826686810 -2.40691226463 0.326907266351 8 29.0575208275 -3.24882881774 2.83235788148 8 28.7292616886 -4.02045594705 -1.83191149933 7 30.1958247445 4.659798221744E-02 -0.196814783951 1 30.7416402004 0.458650792246 -1.95662063897 1 30.9742895925 0.978036517171 1.24950605113 6 17.8685695062 1.62069402182 0.569037022625 8 16.9121337151 1.98640308405 2.64084945189 7 16.6475838091 2.16728923214 -1.59968433242 1 17.5026399508 2.00396757565 -3.26264024246 6 14.0471178299 3.13731508438 -1.54317890412 1 13.9081475080 4.50575166986 -3.317958501066E-02 1 13.6971642834 4.08287469466 -3.32301791741 6 12.0992929940 1.02487542427 -1.11703967027 1 12.5281848996 0.117796579141 0.666940159516 1 12.2815924673 -0.373262443907 -2.60660342009 6 9.38368726187 2.06734240350 -1.06370511801 1 9.22904530181 3.47641655650 0.421514153709 1 8.97012908132 3.00584669183 -2.84391203155 6 7.40761134032 -2.081885259197E-02 -0.604515659145 1 7.82188979387 -0.959523171789 1.17316216804 1 7.55506462234 -1.43154567156 -2.08911482546 6 4.68976064388 1.01856155618 -0.532987082800 1 4.54337076001 2.42907817719 0.951893386632 1 4.27548433984 1.96002534321 -2.31043907566 6 2.70945778986 -1.06451077238 -7.050369403612E-02 1 2.85286386444 -2.47488702954 -1.55389920638 1 3.12196207310 -2.00541446888 1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 0.913671943654 -1.77644025194 1 -0.190421763470 1.38528862659 1.49931725663 1 -1.36920746468 -1.48906274881 0.327953965063 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ 6 11.4685180715 -0.253882949226 8.474462535635E-02 6 7.19062762231 -3.24008712288 -0.100063105919 6 11.6981945344 -2.85966170851 5.025460226330E-03 6 9.11390641423 0.865650375794 0.123696384616 6 6.97923343015 -0.634543538809 1.427532296027E-02 6 9.55505127466 -4.35118078824 -9.532684685333E-02 1 13.5413661906 -3.69085706483 6.389129389547E-02 1 8.91876888683 2.87372223123 0.273659463596 1 9.73029667036 -6.36630301376 -0.149923280749 1 5.51153997987 -4.36006666529 -0.171835031887 16 14.1803164368 1.62780845723 0.158509606474 8 13.5269949162 3.93158432044 1.41592020884 8 16.2116408856 4.732379784424E-02 0.997852510013 7 14.7447121012 2.33822596137 -2.74112009917 1 15.9564603644 1.30012762451 -3.75021629788 1 14.1388996225 3.98459255671 -3.44001829990 6 4.49608514955 0.638985724429 4.506953032958E-02 8 4.18992202766 2.89676438455 0.122562411769 8 2.55708715476 -1.00698691399 -3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 1.20073247043 -1.62009336211 1 -0.309941716392 1.07740963200 1.70308250220 1 -1.21438727312 -1.62960151537 -6.323176597468E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ 6 5.04401540573 5.065785560124E-17 -8.565768416162E-02 6 9.27990108396 9.396277336371E-17 2.94283641892 6 6.11045552513 2.27247789332 0.644730598780 6 6.11045552513 -2.27247789332 0.644730598780 6 8.22908048709 -2.26870089799 2.17155776959 6 8.22908048709 2.26870089799 2.17155776959 1 5.30807717985 4.00751998316 -1.696942951703E-02 1 5.30807717985 -4.00751998316 -1.696942951703E-02 1 9.06580730279 -4.02284755065 2.73828333892 1 9.06580730279 4.02284755065 2.73828333892 1 10.9268739609 1.108006638944E-16 4.12165702328 16 2.32566022845 2.288454205577E-17 -1.95862643609 8 2.24799399215 -2.36940193927 -3.26556451771 8 2.24799399215 2.36940193927 -3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 1.62837329388 0.493096431600 1 -0.817594738155 -1.62837329388 0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ 6 8.11007909745 -8.556435899195E-18 -0.100897097935 6 2.86329951331 -2.922536611154E-18 -7.349736953064E-02 6 6.80777063774 -2.26567639154 -0.121232299609 6 6.80777063774 2.26567639154 -0.121232299609 6 4.19897121896 2.25839811190 -9.895828809266E-02 6 4.19897121896 -2.25839811190 -9.895828809266E-02 1 7.83682406515 -4.00573551491 -0.201208431763 1 7.83682406515 4.00573551491 -0.201208431763 1 3.19435364603 4.01778780932 -0.125815986880 1 3.19435364603 -4.01778780932 -0.125815986880 16 11.4059109298 -1.222287901647E-17 -6.903234852523E-02 8 12.2226557176 2.36966347735 -1.09351831769 8 12.2226557176 -2.36966347735 -1.09351831769 7 12.1903871090 -2.070990068685E-17 2.87084462677 1 12.5792272181 -1.62848573258 3.74230825804 1 12.5792272181 1.62848573258 3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 -4.336273740756E-18 1.94437378897 1 -0.758564487207 1.65923610975 -0.927043031519 1 -0.758564487207 -1.65923610975 -0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ 6 9.49515614095 1.986230634504E-17 0.330909318726 6 4.54766506655 -1.418482302241E-17 -1.41449070261 6 8.25938767444 2.26624765571 -7.914581718090E-02 6 8.25938767444 -2.26624765571 -7.914581718090E-02 6 5.80247435955 -2.25843288285 -0.956589914867 6 5.80247435955 2.25843288285 -0.956589914867 1 9.20891937494 4.00630432243 0.325801090800 1 9.20891937494 -4.00630432243 0.325801090800 1 4.84800788582 -4.01788928760 -1.27432519389 1 4.84800788582 4.01788928760 -1.27432519389 16 12.6215076530 4.047871219384E-17 1.37421975164 8 13.0597966465 -2.36964987132 2.60912294465 8 13.0597966465 2.36964987132 2.60912294465 7 14.3219760733 5.129921083899E-18 -1.14895839935 1 14.9723537348 1.62851785792 -1.84712919698 1 14.9723537348 -1.62851785792 -1.84712919698 6 1.82011448549 -3.162508651201E-17 -2.28845439361 1 1.46450096442 -1.65231782291 -3.44535547264 1 1.46450096442 1.65231782291 -3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 -1.65855864299 1.15861699465 1 0.312880607522 1.65855864299 1.15861699465 1 -1.95068478995 -1.250653597013E-17 -0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ 6 12.3462848294 8.276065163872E-20 0.219629035968 6 7.27697590475 -1.666425406161E-18 -1.13352461031 6 11.0821729337 2.26629036351 -9.228879249722E-02 6 11.0821729337 -2.26629036351 -9.228879249722E-02 6 8.56408820998 -2.25853587292 -0.774654122839 6 8.56408820998 2.25853587292 -0.774654122839 1 12.0604999845 4.00629846428 0.237334526856 1 12.0604999845 -4.00629846428 0.237334526856 1 7.58747623906 -4.01782409206 -1.01660875510 1 7.58747623906 4.01782409206 -1.01660875510 16 15.5446672699 1.106855929460E-18 1.01482146618 8 16.0785895276 -2.36961755701 2.21160547802 8 16.0785895276 2.36961755701 2.21160547802 7 17.0423265084 -2.516184840979E-18 -1.63372129060 1 17.6356158799 1.62852220429 -2.38095755132 1 17.6356158799 -1.62852220429 -2.38095755132 6 4.48973225005 -2.504801715792E-18 -1.78668016231 1 4.03784923022 -1.65364233185 -2.91036104922 1 4.03784923022 1.65364233185 -2.91036104922 6 2.84178543494 8.061817684800E-19 0.630150435706 1 3.30689183592 -1.64977444070 1.75284818480 1 3.30689183592 1.64977444070 1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 -1.66081705451 -1.09295879416 1 -1.12447528227 2.345093436379E-18 1.71233470070 1 -0.500643208584 1.66081705451 -1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ 6 14.1238159113 -1.214503673567E-17 0.678437661017 6 9.44100667607 -7.329180195868E-17 -1.68836769331 6 12.9508759688 2.26624992338 0.112955994743 6 12.9508759688 -2.26624992338 0.112955994743 6 10.6269754875 -2.25848844080 -1.07270695836 6 10.6269754875 2.25848844080 -1.07270695836 1 13.8404298349 4.00630337757 0.636723693997 1 13.8404298349 -4.00630337757 0.636723693997 1 9.72086351835 -4.01774604637 -1.51016368205 1 9.72086351835 4.01774604637 -1.51016368205 16 17.0896510524 2.469474469544E-17 2.11542048055 8 17.3657436482 -2.36962001365 3.39654871916 8 17.3657436482 2.36962001365 3.39654871916 7 19.1011870389 -4.944166890890E-17 -0.167534197609 1 19.8356986120 1.62853921182 -0.776447021723 1 19.8356986120 -1.62853921182 -0.776447021723 6 6.84711615725 -1.041405701228E-16 -2.90008400935 1 6.63682781461 1.65387609096 -4.09248466188 1 6.63682781461 -1.65387609096 -4.09248466188 6 4.74105840551 -3.748430357849E-17 -0.870168924938 1 4.96583213621 1.65095665328 0.325145161310 1 4.96583213621 -1.65095665328 0.325145161310 6 2.07671001580 -6.693452376398E-17 -2.04129882743 1 1.86017810411 1.65244972578 -3.23844110052 1 1.86017810411 -1.65244972578 -3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 1.66008648645 1.19157111842 1 -1.86482588637 -2.150045959666E-17 -0.848869041688 1 0.161115980412 -1.66008648645 1.19157111842 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide --> 6-*- 6 (6)4-Am-Benzenesulfonamide ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ 6 16.9068057473 -0.243177970445 1.059325119563E-16 6 12.0155875324 1.65600530852 7.874007219591E-16 6 15.7028346951 0.252939874960 2.26622819153 6 15.7028346951 0.252939874960 -2.26622819153 6 13.2672687790 1.18799231963 -2.25851621977 6 13.2672687790 1.18799231963 2.25851621977 1 16.6905927723 -4.935959543974E-02 4.00587781127 1 16.6905927723 -4.935959543974E-02 -4.00587781127 1 12.3418929399 1.58361797677 -4.01758126227 1 12.3418929399 1.58361797677 4.01758126227 16 19.9613139677 -1.48061075670 -3.396565444380E-16 8 21.0975033451 -0.827628604396 -2.36965497358 8 21.0975033451 -0.827628604396 2.36965497358 7 19.6140817394 -4.50363661503 -1.520890767875E-15 1 19.6563448244 -5.45686048237 1.62850009449 1 19.6563448244 -5.45686048237 -1.62850009449 6 9.31463490683 2.60509907624 1.124910972962E-15 1 8.98767928251 3.77103356608 1.65353820795 1 8.98767928251 3.77103356608 -1.65353820795 6 7.41754404250 0.378508099205 2.354035425308E-16 1 7.75886683358 -0.788097380015 1.65185162751 1 7.75886683358 -0.788097380015 -1.65185162751 6 4.65268631611 1.28701345345 5.563510498846E-16 1 4.32004736793 2.45842354097 1.65339251008 1 4.32004736793 2.45842354097 -1.65339251008 6 2.76072678768 -0.925807775628 -3.277337893163E-16 1 3.09073708924 -2.09665994535 1.65204135600 1 3.09073708924 -2.09665994535 -1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 1.14184653845 1.66034613480 1 -1.30590878374 -1.57901648689 -6.303379891292E-16 1 -0.377248445559 1.14184653845 -1.66034613480 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ 6 12.0127056291 -0.467319191248 0.111806432972 6 6.97352093600 0.759917308701 4.748266917407E-02 6 10.2217532895 -2.37079219426 0.152809003460 6 11.3033419938 2.04980757052 9.307700569057E-02 6 8.76972951282 2.66113662451 5.092383423729E-02 6 7.68607351310 -1.75397861179 0.112223563757 1 10.8183018721 -4.29997421278 0.259688127616 1 12.7207799808 3.49060386186 0.155267676093 1 8.15790328645 4.58878364063 3.776105769249E-02 1 6.26630294078 -3.18887845369 0.146456888627 16 15.2263520177 -1.25494370756 8.406950718910E-02 8 16.5763713396 0.857729096636 1.09992283794 8 15.4471228542 -3.74394477194 1.12115495093 7 15.9595091226 -1.44681230628 -2.85648386684 1 15.9368640683 -3.12142107712 -3.72820018659 1 16.7225609771 3.868535428217E-02 -3.73740008869 6 4.28110783217 1.51706821998 4.380793909740E-03 8 3.53735775286 3.67127241182 -4.627237069106E-02 8 2.70645115658 -0.479140449071 2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 1.08656629775 1.64022531142 1 -0.866069129495 -1.83937203385 2.906081667564E-02 1 -0.516390062658 1.02531407580 -1.68530034526 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ 6 9.25649635012 1.80846527957 9.292601243073E-02 6 4.49653007628 -0.252386364964 5.563329730033E-02 6 8.97661510100 -0.790299344150 0.119114341606 6 7.17209172246 3.38798511785 0.102169685012 6 4.78224687467 2.34735739516 7.329320901833E-02 6 6.58177520099 -1.82758693433 9.237860791359E-02 1 10.6170947155 -1.96958871556 0.204027651419 1 7.43391914542 5.39176377246 0.175377186833 1 3.13114524169 3.51529832560 8.157662744579E-02 1 6.31465409765 -3.82860234946 0.115984151186 16 12.2941652834 3.11903583590 4.829871274683E-02 8 12.1064542125 5.60990047425 1.08680327140 8 13.9812398042 1.25851015147 1.05437846650 7 12.9682120575 3.43319864541 -2.89600901229 1 13.9516579638 2.09107340260 -3.78830088073 1 12.6725674087 5.08557002470 -3.76041888038 6 1.89086902464 -1.27466774715 2.847109335790E-02 8 1.83775228380 -3.81438709360 3.668617006514E-02 6 -0.611334772331 -5.09553939230 2.759474634627E-02 1 -1.67193584771 -4.49484752416 1.66284241111 1 -1.63290597596 -4.54650767572 -1.65033477868 6 -2.628882640013E-02 -7.90958602311 7.826139859268E-02 1 1.04055063371 -8.37091267308 1.76016592182 1 1.08118978950 -8.42305482102 -1.56183569609 1 -1.76381943467 -8.99262746496 7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ 6 16.2691799750 -0.861123974289 0.131186883282 6 11.5121945621 1.20427204035 2.028457912686E-02 6 14.1804039648 -2.43212467262 0.170027955664 6 15.9979271981 1.73975638478 9.085209513991E-02 6 13.6053532164 2.77244247494 2.499575182470E-02 6 11.7868447762 -1.39343219905 0.106330752902 1 14.4397111888 -4.43379554927 0.293347888880 1 17.6391790059 2.91927288464 0.155077522013 1 13.3297352136 4.77580185192 -5.280276989638E-03 1 10.1431555114 -2.56525744119 0.138937307621 16 19.3020004227 -2.18348775204 0.134299477251 8 20.9842079738 -0.325733494236 1.15270139607 8 19.0886880558 -4.66812122535 1.18366001761 7 20.0154046741 -2.51391842666 -2.79896253743 1 19.7140075146 -4.16469009410 -3.66423830225 1 21.0264342221 -1.18451012097 -3.67951649332 6 8.98524438142 2.40710164988 -4.683800638368E-02 8 8.62404088094 4.65762117820 -0.119145313158 8 7.09521260910 0.710056286046 -2.027193485411E-02 6 4.48588899364 1.61442012240 -6.043557639931E-02 1 4.18402977757 2.83160191470 1.54997335048 1 4.18851510037 2.69852442655 -1.76429702456 6 2.81774658260 -0.727728392362 3.131445935321E-02 1 3.26511634385 -1.91346199534 -1.57535965464 1 3.26258594609 -1.78075553052 1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 -1.67378352623 6.601676572586E-02 1 -0.468128283684 1.03824231167 -1.70442814436 1 -0.470300494955 1.17038221894 1.61582801791 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ 6 17.9684279399 1.54301176377 -0.149693423226 6 13.6326730870 -1.30132688262 -2.138183749743E-02 6 15.6426740929 2.73563073422 -0.189786012449 6 18.1438750705 -1.06604052147 -9.962044033802E-02 6 15.9621451629 -2.49057033907 -2.523220981312E-02 6 13.4610204855 1.30509459913 -0.117287370756 1 15.5573431966 4.75166639252 -0.321088296824 1 19.9617870444 -1.94922244854 -0.163264253275 1 16.0314585342 -4.51140907128 1.239461845501E-02 1 11.6418341179 2.17978662007 -0.150641401029 16 20.7317846783 3.36204210634 -0.163987391502 8 22.7051478607 1.81249173186 -1.17548489088 8 20.0987699462 5.76903704384 -1.22508771415 7 21.3801516200 3.82469400623 2.76690153273 1 20.8048852121 5.40607792939 3.62309870587 1 22.6005200302 2.68935847433 3.65393602741 6 11.3472294671 -2.91626214998 5.651370344789E-02 8 9.19665552725 -1.56522590120 3.245613991045E-02 6 6.77856962350 -2.90016097853 8.749655544515E-02 1 6.67652246165 -4.14495637472 -1.52674105702 1 6.68550306343 -4.02593032336 1.78755983989 6 4.73704841955 -0.874096953142 1.969560988444E-02 1 4.98065500262 0.246176556333 -1.67702200013 1 4.98893864106 0.366141886882 1.62964287548 8 11.3745245833 -5.19521098803 0.135688264964 6 2.07271853085 -2.04310727132 6.880948422220E-02 1 1.85408721205 -3.17805095775 1.76397604453 1 1.84594669663 -3.29720682002 -1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 1.24962477650 1.61609500694 1 -1.86381093455 -0.848750824383 3.507941596838E-02 1 0.158113135931 1.12952769314 -1.70286806009 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide --> 11-*- 11 (11)4-COOAm-benzenesulfonamide ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ 6 20.7940103927 1.18292577645 -0.135748344237 6 16.2553748543 -1.32561650568 -1.898358840442E-02 6 18.5653398548 2.54782901355 -0.185991958815 6 20.7714899222 -1.43194635192 -8.119491494154E-02 6 18.4881809521 -2.68752983337 -1.268047644927E-02 6 16.2816292072 1.28621992460 -0.119293218161 1 18.6330826801 4.56430368467 -0.320494210942 1 22.5176825572 -2.45010794741 -0.136961916771 1 18.4044365481 -4.70774521966 2.810073710092E-02 1 14.5338256999 2.29576106594 -0.160475355254 16 23.6871881374 2.78742501086 -0.142668366748 8 25.5411157417 1.09148804236 -1.14525598407 8 23.2417958312 5.23383132605 -1.20898679380 7 24.3589360690 3.20370291968 2.78991772878 1 23.9091509095 4.82809819444 3.64057141352 1 25.4806790933 1.97605258766 3.68426382740 6 13.8540126043 -2.76296861394 5.303453877654E-02 8 11.8120703378 -1.25321399795 2.008307004224E-02 6 9.29901118039 -2.40045989565 6.905102121977E-02 1 9.10783205313 -3.63690786172 -1.54345602431 1 9.11551718001 -3.51245649883 1.77073227684 6 7.41759711942 -0.225163913710 -8.381954772778E-03 1 7.75164296187 0.869303738938 -1.70652575015 1 7.75918159098 0.994644284689 1.60061304784 8 13.7086109469 -5.03734953143 0.135183415616 6 4.67345055952 -1.19177646373 3.443655708758E-02 1 4.36347393069 -2.30467041402 1.73186035831 1 4.35593551642 -2.42824308851 -1.57363269202 6 2.73979046465 0.982603093803 -4.252073111888E-02 1 3.05064854136 2.21942573316 1.56427419659 1 3.04356406783 2.09606747732 -1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 -1.08637600396 1.70287631133 1 -0.357289139629 -1.20966193729 -1.61602453331 1 -1.33734281519 1.55130517970 -5.488380719168E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ 6 22.6680723895 1.90654821224 -0.175233423843 6 18.4884955220 -1.16205594440 -2.429127256041E-02 6 20.2830274345 2.97597725977 -0.173664688758 6 22.9799650421 -0.690079737778 -0.155208703405 6 20.8766221032 -2.22748679265 -6.903817015508E-02 6 18.1799381157 1.43239889865 -8.995095951044E-02 1 20.0909835172 4.98607533718 -0.281845826277 1 24.8405388049 -1.47638787062 -0.250726882769 1 21.0517072441 -4.24227251958 -5.371272626672E-02 1 16.3172055949 2.21104024810 -9.170563306660E-02 16 25.3324936821 3.86769909134 -0.204282249485 8 27.3689282330 2.43608131514 -1.26337330774 8 24.5588648910 6.25073611663 -1.22544756910 7 25.9991456410 4.32704671165 2.72259774632 1 25.3514763748 5.86285263510 3.60932921947 1 27.2925393220 3.24838521296 3.57606690334 6 16.2916230451 -2.89540499983 6.179565244721E-02 8 14.0727663740 -1.65964926922 7.242285012777E-02 6 11.7286122162 -3.12131087053 0.129207796905 1 11.6916371367 -4.36862899705 -1.48585984781 1 11.6980732731 -4.25127283221 1.82879684924 6 9.58109439663 -1.20776499556 6.511610601119E-02 1 9.76756866224 -7.139861485579E-02 -1.62808855633 1 9.76377736159 3.875539761361E-02 1.67952200771 8 16.4397777482 -5.17051756224 0.117582340473 6 6.98540215161 -2.52323506137 0.105275847922 1 6.82580399210 -3.67429399210 1.79800400123 1 6.83170567671 -3.78372128405 -1.50810456154 6 4.78702881724 -0.616612023999 3.768403587990E-02 1 4.93145580826 0.642205670084 1.65293843334 1 4.94358499840 0.538158692436 -1.65236070615 6 2.18592326697 -1.92237034783 6.880796847135E-02 1 2.02940000857 -3.07742276656 1.75724206468 1 2.04230086267 -3.18049871305 -1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 1.24972460005 1.62283624211 1 -1.81555813970 -0.949604486281 2.171294654113E-02 1 0.101559387270 1.14661307089 -1.69643499199 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ 6 12.2734251286 -0.428907088210 3.130417300445E-02 6 7.16512558575 0.605433656762 0.183825719733 6 10.5713708299 -2.37495748345 0.399070980710 6 11.4474717344 2.04279012262 -0.176766780326 6 8.89344536670 2.55194533980 -9.586430260886E-02 6 8.01368059796 -1.85426065145 0.469957115655 1 11.2546633574 -4.25736622768 0.680203900338 1 12.7976479862 3.53900012680 -0.347716707934 1 8.19737481149 4.44495294702 -0.221953717805 1 6.71862383287 -3.36899815646 0.820375895056 16 15.5058925312 -1.09988548484 -0.139878058083 8 16.8322621021 1.12838754297 0.629587328980 8 15.8847585470 -3.49504260894 1.06180455980 7 16.0744500874 -1.48770706952 -3.09912365385 1 16.0632182407 -3.22273094432 -3.84357473139 1 16.7466970697 -5.130502478586E-02 -4.12393032748 6 4.42868586731 1.35626047301 0.252477484269 8 3.82938195486 3.56208325758 0.576406362775 7 2.71818896568 -0.506140006335 -9.280093005674E-02 1 3.27509805498 -2.22468116302 -0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 1.90115557994 0.684101664629 1 -0.922458262213 -1.31460329988 1.26745769935 1 -0.840700153890 -0.156106480461 -1.86072422508 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ 6 13.4991057155 -0.357473590767 0.713811663238 6 8.48076024177 0.503164540210 -0.416629781928 6 11.8631397624 -2.37874757162 0.473562136431 6 12.6300343135 2.09621222127 0.471550344568 6 10.1214739007 2.51780523488 -9.207153793854E-02 6 9.35258280198 -1.94453974915 -9.759660250163E-02 1 12.5459565012 -4.25659611519 0.784414249864 1 13.8986334476 3.64265027953 0.771481617840 1 9.38607236031 4.39164092392 -0.267910179188 1 8.09763925784 -3.52677510687 -0.221740185849 16 16.6935460046 -0.912646421298 1.35805736093 8 17.6544840841 1.28364835574 2.61076734769 8 16.8676643394 -3.38662077444 2.44146121239 7 18.0366372567 -1.03700758771 -1.36404066179 1 18.3163089429 -2.70480564337 -2.20359468998 1 18.8696549651 0.501492704799 -2.07432409737 6 5.78952802473 1.16981982693 -1.02631101775 8 5.04502030288 3.34753860849 -0.814795268017 7 4.26922563055 -0.704156458501 -1.84300557024 1 4.93783248921 -2.42933031646 -2.15895801923 6 1.59945609057 -0.196996634022 -2.41475962510 1 1.48860461593 1.55437999117 -3.45794673312 1 0.926691554047 -1.71487444573 -3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 -1.73213272312 1.08507996536 1 -1.96325947579 0.346439546764 -0.473696207925 1 0.684941159121 1.55321650721 1.13775889828 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ 6 16.3895792015 -0.240489114104 0.536193806704 6 11.2920888992 0.451096170868 -0.326090712247 6 14.8194157858 -2.31710236513 0.332180772567 6 15.4194231089 2.18266311147 0.390199489610 6 12.8721086867 2.51961306172 -4.014493484245E-02 6 12.2689440408 -1.96736827272 -0.104588496551 1 15.5860110543 -4.17358955286 0.566758904214 1 16.6431929451 3.77015985899 0.660657202547 1 12.0602052934 4.36724803133 -0.139997105688 1 11.0701659350 -3.59425419512 -0.203144347206 16 19.6304263353 -0.686794962887 1.01096050120 8 20.5702877543 1.51578267698 2.26860480338 8 19.9498684877 -3.17604514588 2.02400342944 7 20.8410111234 -0.697292062619 -1.77517976903 1 21.1380020961 -2.33317949807 -2.66979007743 1 21.5834993494 0.887153761337 -2.48491793384 6 8.55072081282 1.02933075625 -0.787372576289 8 7.74481307558 3.17762575485 -0.511396947249 7 7.05397038251 -0.888627903207 -1.54546896295 1 7.76234008752 -2.58922394741 -1.90477240945 6 4.34412151772 -0.471267660613 -1.97617977221 1 4.11567022133 1.31564616149 -2.93907082096 1 3.66918162500 -1.96785234101 -3.19655760703 6 2.83322401463 -0.431124044979 0.504279368481 1 3.11335731365 -2.20436047481 1.49304292078 1 3.57440415444 1.07510116992 1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 -1.49697720468 -1.17000519138 1 -0.298267921192 1.78626047228 -0.960482973300 1 -1.05317079190 4.110766263255E-02 1.75580559418 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ 6 17.9683881599 0.297292077107 -1.27536857331 6 13.1074956167 -0.472207080671 0.453228519305 6 16.4795229986 2.34875635930 -0.647864180363 6 17.0206311288 -2.13415723988 -1.11906109396 6 14.5917090576 -2.50997045525 -0.254800853982 6 14.0483817764 1.95969349025 0.221879028027 1 17.2064313178 4.21995575715 -0.891477750401 1 18.1611556206 -3.69459587591 -1.71498801728 1 13.7960455627 -4.36328224970 -0.132995603972 1 12.9022737548 3.57153468866 0.648336550217 16 21.0720806852 0.788022958085 -2.30216806175 8 21.7468110653 -1.31897174983 -3.85840867623 8 21.2227851157 3.34246112332 -3.18367143395 7 22.7709964146 0.611425397042 0.210357613229 1 23.2419454469 2.18327885030 1.14424461781 1 23.6155189330 -1.01555484106 0.663326749229 6 10.4913649952 -1.09295624704 1.36656090135 8 9.63574908684 -3.22390935997 1.10529668512 7 9.16801166064 0.764206510305 2.50274977654 1 9.93546118641 2.44582902745 2.82792804056 6 6.57752127994 0.303665749238 3.38789268707 1 6.51903031968 -1.54105374663 4.26306789461 1 6.14310735722 1.71711069845 4.80129056636 6 4.64548715274 0.408008321980 1.22155256882 1 4.74877437287 2.24262500055 0.310278321539 1 5.15722580814 -1.01799017637 -0.154647286614 6 1.93810690142 -7.135985398158E-02 2.17182509407 1 1.44127945712 1.34174421826 3.57579700736 1 1.85954730813 -1.90266503311 3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 1.83021062745 -0.923376785869 1 -1.89573167271 -0.347838378411 0.695134146311 1 0.441627040364 -1.42860412068 -1.40142839635 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ 6 20.7991290262 0.173784562617 -0.967430943750 6 15.8208872142 -0.493809018334 0.438608973922 6 19.3262977014 2.25396162951 -0.398797961368 6 19.7814511456 -2.23370706654 -0.914828584962 6 17.2935652430 -2.55864272562 -0.212496983470 6 16.8360353316 1.91574159282 0.309779724471 1 20.1142731917 4.10895290340 -0.564237775091 1 20.9173363920 -3.81385503923 -1.46592508350 1 16.4442776257 -4.39176179105 -0.176203941180 1 15.7049640512 3.54969525139 0.689919799457 16 23.9730508168 0.598035781202 -1.78812191880 8 24.6931739735 -1.50517256805 -3.32907555178 8 24.2435498230 3.15901002899 -2.62060021432 7 25.5033852023 0.345442345150 0.824002123731 1 25.9537944258 1.89269407830 1.80776047178 1 26.2758209659 -1.30859530159 1.30662787836 6 13.1364605614 -1.05636550436 1.17304363784 8 12.2342106329 -3.15067883783 0.798066467619 7 11.8045299533 0.811050923403 2.28280920599 1 12.6074301426 2.45211797021 2.71333127911 6 9.14976160456 0.415244685406 2.99139374910 1 8.97576642824 -1.45199356268 3.80070440505 1 8.67465458601 1.79959917137 4.42036175613 6 7.36177114450 0.653459671476 0.714423221458 1 7.91441927685 -0.744818521689 -0.674421622847 1 7.58140029875 2.51170351436 -0.125580462120 6 4.58736232398 0.234912622601 1.48206692652 1 4.39235199539 -1.62338779407 2.33305194788 1 4.04706318167 1.61793167812 2.90215796291 6 2.76982943896 0.437731877559 -0.782841872202 1 3.30844365759 -0.941827465806 -2.20173367200 1 2.95663454185 2.29447008586 -1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 -1.86570407362 0.817672243790 1 -1.25343256978 0.149457481471 -1.61416779080 1 -0.583961285311 1.38598079582 1.39357136739 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ 6 22.5771469666 -1.15315062242 1.33850011954 6 17.8425169573 0.576156120662 -2.234632623383E-03 6 21.1633719312 -2.48100690435 -0.409962720559 6 21.6107089723 0.989908679563 2.48228696960 6 19.2440933876 1.84630992232 1.80831765324 6 18.7957098516 -1.60947522179 -1.08290543351 1 21.8946454585 -4.19945910018 -1.18536236676 1 22.6855831307 1.93339152381 3.91236744583 1 18.4339240240 3.48182972505 2.67523222275 1 17.7008464917 -2.68987866802 -2.39737300535 16 25.6065323789 -2.21318301591 2.12963917739 8 26.1459122384 -1.31654885736 4.62396311682 8 25.7256214254 -4.83779591130 1.48007485887 7 27.4751893457 -0.743706108843 0.237803865057 1 28.0301701289 -1.56579060238 -1.36866835464 1 28.3270991466 0.844667304544 0.800499116961 6 15.2894950371 1.66650661716 -0.597501874580 8 14.3687896107 3.29889550467 0.754640571509 7 14.1000853631 0.805668522375 -2.68023465397 1 14.9377893462 -0.404137958512 -3.84561620167 6 11.5717591707 1.74173503480 -3.34228248627 1 11.5333026393 3.75907383560 -3.02446283844 1 11.2783293185 1.38337013554 -5.33468474421 6 9.48677589010 0.474256852886 -1.76614598946 1 9.86157341390 0.860340863107 0.208498546579 1 9.56627349941 -1.55562313317 -2.04857411438 6 6.84855323045 1.47113086062 -2.48064608058 1 6.79648913596 3.50501120231 -2.20511689137 1 6.49229173351 1.11341496630 -4.47217285833 6 4.73751179529 0.241051054790 -0.898179482966 1 5.09253015610 0.596968801207 1.09184063865 1 4.78211518922 -1.79347499883 -1.17152183930 6 2.09502690272 1.24324747214 -1.59513297750 1 2.05024617966 3.27578983933 -1.31947880152 1 1.74096952081 0.890659058047 -3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 -2.03079721447 -0.281447018883 1 -1.84622701379 0.726603423243 -0.512706719913 1 0.300397382099 0.366813160548 1.99443311341 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ 6 25.3713425036 1.29078949634 -0.355162756323 6 20.4999091352 -0.573560077356 -0.364133120434 6 23.9743069632 1.31357807398 1.85095938988 6 24.3252994282 0.415369237348 -2.58530943683 6 21.8910263201 -0.513406735149 -2.58161342663 6 21.5377263326 0.374782138985 1.84407022859 1 24.7750487130 2.10650345747 3.53005203392 1 25.3946688774 0.512004923803 -4.29936626465 1 21.0202154713 -1.18149772339 -4.27815360199 1 20.4612990421 0.457447519092 3.55525533127 16 28.4826686810 2.40691226463 -0.326907266351 8 29.0575208275 3.24882881774 -2.83235788148 8 28.7292616886 4.02045594705 1.83191149933 7 30.1958247445 -4.659798221744E-02 0.196814783951 1 30.7416402004 -0.458650792246 1.95662063897 1 30.9742895925 -0.978036517171 -1.24950605113 6 17.8685695062 -1.62069402182 -0.569037022625 8 16.9121337151 -1.98640308405 -2.64084945189 7 16.6475838091 -2.16728923214 1.59968433242 1 17.5026399508 -2.00396757565 3.26264024246 6 14.0471178299 -3.13731508438 1.54317890412 1 13.9081475080 -4.50575166986 3.317958501066E-02 1 13.6971642834 -4.08287469466 3.32301791741 6 12.0992929940 -1.02487542427 1.11703967027 1 12.5281848996 -0.117796579141 -0.666940159516 1 12.2815924673 0.373262443907 2.60660342009 6 9.38368726187 -2.06734240350 1.06370511801 1 9.22904530181 -3.47641655650 -0.421514153709 1 8.97012908132 -3.00584669183 2.84391203155 6 7.40761134032 2.081885259197E-02 0.604515659145 1 7.82188979387 0.959523171789 -1.17316216804 1 7.55506462234 1.43154567156 2.08911482546 6 4.68976064388 -1.01856155618 0.532987082800 1 4.54337076001 -2.42907817719 -0.951893386632 1 4.27548433984 -1.96002534321 2.31043907566 6 2.70945778986 1.06451077238 7.050369403612E-02 1 2.85286386444 2.47488702954 1.55389920638 1 3.12196207310 2.00541446888 -1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 -0.913671943654 1.77644025194 1 -0.190421763470 -1.38528862659 -1.49931725663 1 -1.36920746468 1.48906274881 -0.327953965063 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 14.6470472295 -7.927582673955E-02 1.80388763872 6 11.0622537716 3.27640760804 3.297672786334E-02 6 14.7369160592 2.43215177975 2.53444551673 6 12.8070002392 -0.912058450381 0.154696461770 6 11.0072899085 0.769206969645 -0.713259671910 6 12.9364096564 4.10752092444 1.65236698309 1 16.2316861745 3.05537583528 3.74640500018 1 12.7765418719 -2.82982636485 -0.488648395220 1 13.0085282876 6.05136023195 2.20986983423 1 9.65703039613 4.54278939690 -0.674485001885 16 16.8933356488 -2.20308237715 2.96282720847 8 17.1654544206 -4.16922825102 1.12553453199 8 18.9940820965 -0.731414937095 3.82882717480 7 15.6175472951 -3.46311887774 5.41587468911 1 15.9629473681 -2.75343817166 7.13085232509 1 14.7456722210 -5.13162497330 5.26853072316 6 9.06040892940 -0.201291984067 -2.46474864871 8 8.91665151407 -2.36805020959 -3.16600142043 8 7.43567148504 1.60759380764 -3.21024508761 6 5.40076218187 0.941573563734 -4.96333502457 1 6.16223386958 -0.282504725278 -6.40561520272 1 4.83637016269 2.72590185916 -5.76743153053 6 3.22465398359 -0.335499112468 -3.56255615145 1 3.88723544293 -2.11837323163 -2.80741591652 1 1.74866488564 -0.745640292260 -4.92795366683 6 2.15777787507 1.32856537299 -1.43129092786 1 3.66996182072 1.79605579868 -0.134672107749 1 1.47023890202 3.09083857609 -2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 -1.74919959851 0.839514279590 1 -1.54647644809 -0.446140232212 -1.26996230476 1 -0.727968804225 1.19296015340 1.49826125964 ------------------------------------------------ 6 5.04401540573 5.065785560124E-17 -8.565768416162E-02 6 9.27990108396 9.396277336371E-17 2.94283641892 6 6.11045552513 2.27247789332 0.644730598780 6 6.11045552513 -2.27247789332 0.644730598780 6 8.22908048709 -2.26870089799 2.17155776959 6 8.22908048709 2.26870089799 2.17155776959 1 5.30807717985 4.00751998316 -1.696942951703E-02 1 5.30807717985 -4.00751998316 -1.696942951703E-02 1 9.06580730279 -4.02284755065 2.73828333892 1 9.06580730279 4.02284755065 2.73828333892 1 10.9268739609 1.108006638944E-16 4.12165702328 16 2.32566022845 2.288454205577E-17 -1.95862643609 8 2.24799399215 -2.36940193927 -3.26556451771 8 2.24799399215 2.36940193927 -3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 1.62837329388 0.493096431600 1 -0.817594738155 -1.62837329388 0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 14.6470472295 -7.927582673955E-02 1.80388763872 6 11.0622537716 3.27640760804 3.297672786334E-02 6 14.7369160592 2.43215177975 2.53444551673 6 12.8070002392 -0.912058450381 0.154696461770 6 11.0072899085 0.769206969645 -0.713259671910 6 12.9364096564 4.10752092444 1.65236698309 1 16.2316861745 3.05537583528 3.74640500018 1 12.7765418719 -2.82982636485 -0.488648395220 1 13.0085282876 6.05136023195 2.20986983423 1 9.65703039613 4.54278939690 -0.674485001885 16 16.8933356488 -2.20308237715 2.96282720847 8 17.1654544206 -4.16922825102 1.12553453199 8 18.9940820965 -0.731414937095 3.82882717480 7 15.6175472951 -3.46311887774 5.41587468911 1 15.9629473681 -2.75343817166 7.13085232509 1 14.7456722210 -5.13162497330 5.26853072316 6 9.06040892940 -0.201291984067 -2.46474864871 8 8.91665151407 -2.36805020959 -3.16600142043 8 7.43567148504 1.60759380764 -3.21024508761 6 5.40076218187 0.941573563734 -4.96333502457 1 6.16223386958 -0.282504725278 -6.40561520272 1 4.83637016269 2.72590185916 -5.76743153053 6 3.22465398359 -0.335499112468 -3.56255615145 1 3.88723544293 -2.11837323163 -2.80741591652 1 1.74866488564 -0.745640292260 -4.92795366683 6 2.15777787507 1.32856537299 -1.43129092786 1 3.66996182072 1.79605579868 -0.134672107749 1 1.47023890202 3.09083857609 -2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 -1.74919959851 0.839514279590 1 -1.54647644809 -0.446140232212 -1.26996230476 1 -0.727968804225 1.19296015340 1.49826125964 ------------------------------------------------ 6 8.11007909745 -8.556435899195E-18 -0.100897097935 6 2.86329951331 -2.922536611154E-18 -7.349736953064E-02 6 6.80777063774 -2.26567639154 -0.121232299609 6 6.80777063774 2.26567639154 -0.121232299609 6 4.19897121896 2.25839811190 -9.895828809266E-02 6 4.19897121896 -2.25839811190 -9.895828809266E-02 1 7.83682406515 -4.00573551491 -0.201208431763 1 7.83682406515 4.00573551491 -0.201208431763 1 3.19435364603 4.01778780932 -0.125815986880 1 3.19435364603 -4.01778780932 -0.125815986880 16 11.4059109298 -1.222287901647E-17 -6.903234852523E-02 8 12.2226557176 2.36966347735 -1.09351831769 8 12.2226557176 -2.36966347735 -1.09351831769 7 12.1903871090 -2.070990068685E-17 2.87084462677 1 12.5792272181 -1.62848573258 3.74230825804 1 12.5792272181 1.62848573258 3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 -4.336273740756E-18 1.94437378897 1 -0.758564487207 1.65923610975 -0.927043031519 1 -0.758564487207 -1.65923610975 -0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 14.6470472295 -7.927582673955E-02 1.80388763872 6 11.0622537716 3.27640760804 3.297672786334E-02 6 14.7369160592 2.43215177975 2.53444551673 6 12.8070002392 -0.912058450381 0.154696461770 6 11.0072899085 0.769206969645 -0.713259671910 6 12.9364096564 4.10752092444 1.65236698309 1 16.2316861745 3.05537583528 3.74640500018 1 12.7765418719 -2.82982636485 -0.488648395220 1 13.0085282876 6.05136023195 2.20986983423 1 9.65703039613 4.54278939690 -0.674485001885 16 16.8933356488 -2.20308237715 2.96282720847 8 17.1654544206 -4.16922825102 1.12553453199 8 18.9940820965 -0.731414937095 3.82882717480 7 15.6175472951 -3.46311887774 5.41587468911 1 15.9629473681 -2.75343817166 7.13085232509 1 14.7456722210 -5.13162497330 5.26853072316 6 9.06040892940 -0.201291984067 -2.46474864871 8 8.91665151407 -2.36805020959 -3.16600142043 8 7.43567148504 1.60759380764 -3.21024508761 6 5.40076218187 0.941573563734 -4.96333502457 1 6.16223386958 -0.282504725278 -6.40561520272 1 4.83637016269 2.72590185916 -5.76743153053 6 3.22465398359 -0.335499112468 -3.56255615145 1 3.88723544293 -2.11837323163 -2.80741591652 1 1.74866488564 -0.745640292260 -4.92795366683 6 2.15777787507 1.32856537299 -1.43129092786 1 3.66996182072 1.79605579868 -0.134672107749 1 1.47023890202 3.09083857609 -2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 -1.74919959851 0.839514279590 1 -1.54647644809 -0.446140232212 -1.26996230476 1 -0.727968804225 1.19296015340 1.49826125964 ------------------------------------------------ 6 9.49515614095 1.986230634504E-17 0.330909318726 6 4.54766506655 -1.418482302241E-17 -1.41449070261 6 8.25938767444 2.26624765571 -7.914581718090E-02 6 8.25938767444 -2.26624765571 -7.914581718090E-02 6 5.80247435955 -2.25843288285 -0.956589914867 6 5.80247435955 2.25843288285 -0.956589914867 1 9.20891937494 4.00630432243 0.325801090800 1 9.20891937494 -4.00630432243 0.325801090800 1 4.84800788582 -4.01788928760 -1.27432519389 1 4.84800788582 4.01788928760 -1.27432519389 16 12.6215076530 4.047871219384E-17 1.37421975164 8 13.0597966465 -2.36964987132 2.60912294465 8 13.0597966465 2.36964987132 2.60912294465 7 14.3219760733 5.129921083899E-18 -1.14895839935 1 14.9723537348 1.62851785792 -1.84712919698 1 14.9723537348 -1.62851785792 -1.84712919698 6 1.82011448549 -3.162508651201E-17 -2.28845439361 1 1.46450096442 -1.65231782291 -3.44535547264 1 1.46450096442 1.65231782291 -3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 -1.65855864299 1.15861699465 1 0.312880607522 1.65855864299 1.15861699465 1 -1.95068478995 -1.250653597013E-17 -0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 14.6470472295 -7.927582673955E-02 1.80388763872 6 11.0622537716 3.27640760804 3.297672786334E-02 6 14.7369160592 2.43215177975 2.53444551673 6 12.8070002392 -0.912058450381 0.154696461770 6 11.0072899085 0.769206969645 -0.713259671910 6 12.9364096564 4.10752092444 1.65236698309 1 16.2316861745 3.05537583528 3.74640500018 1 12.7765418719 -2.82982636485 -0.488648395220 1 13.0085282876 6.05136023195 2.20986983423 1 9.65703039613 4.54278939690 -0.674485001885 16 16.8933356488 -2.20308237715 2.96282720847 8 17.1654544206 -4.16922825102 1.12553453199 8 18.9940820965 -0.731414937095 3.82882717480 7 15.6175472951 -3.46311887774 5.41587468911 1 15.9629473681 -2.75343817166 7.13085232509 1 14.7456722210 -5.13162497330 5.26853072316 6 9.06040892940 -0.201291984067 -2.46474864871 8 8.91665151407 -2.36805020959 -3.16600142043 8 7.43567148504 1.60759380764 -3.21024508761 6 5.40076218187 0.941573563734 -4.96333502457 1 6.16223386958 -0.282504725278 -6.40561520272 1 4.83637016269 2.72590185916 -5.76743153053 6 3.22465398359 -0.335499112468 -3.56255615145 1 3.88723544293 -2.11837323163 -2.80741591652 1 1.74866488564 -0.745640292260 -4.92795366683 6 2.15777787507 1.32856537299 -1.43129092786 1 3.66996182072 1.79605579868 -0.134672107749 1 1.47023890202 3.09083857609 -2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 -1.74919959851 0.839514279590 1 -1.54647644809 -0.446140232212 -1.26996230476 1 -0.727968804225 1.19296015340 1.49826125964 ------------------------------------------------ 6 12.3462848294 8.276065163872E-20 0.219629035968 6 7.27697590475 -1.666425406161E-18 -1.13352461031 6 11.0821729337 2.26629036351 -9.228879249722E-02 6 11.0821729337 -2.26629036351 -9.228879249722E-02 6 8.56408820998 -2.25853587292 -0.774654122839 6 8.56408820998 2.25853587292 -0.774654122839 1 12.0604999845 4.00629846428 0.237334526856 1 12.0604999845 -4.00629846428 0.237334526856 1 7.58747623906 -4.01782409206 -1.01660875510 1 7.58747623906 4.01782409206 -1.01660875510 16 15.5446672699 1.106855929460E-18 1.01482146618 8 16.0785895276 -2.36961755701 2.21160547802 8 16.0785895276 2.36961755701 2.21160547802 7 17.0423265084 -2.516184840979E-18 -1.63372129060 1 17.6356158799 1.62852220429 -2.38095755132 1 17.6356158799 -1.62852220429 -2.38095755132 6 4.48973225005 -2.504801715792E-18 -1.78668016231 1 4.03784923022 -1.65364233185 -2.91036104922 1 4.03784923022 1.65364233185 -2.91036104922 6 2.84178543494 8.061817684800E-19 0.630150435706 1 3.30689183592 -1.64977444070 1.75284818480 1 3.30689183592 1.64977444070 1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 -1.66081705451 -1.09295879416 1 -1.12447528227 2.345093436379E-18 1.71233470070 1 -0.500643208584 1.66081705451 -1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide ------------------------------------------------ 6 14.6470472295 -7.927582673955E-02 1.80388763872 6 11.0622537716 3.27640760804 3.297672786334E-02 6 14.7369160592 2.43215177975 2.53444551673 6 12.8070002392 -0.912058450381 0.154696461770 6 11.0072899085 0.769206969645 -0.713259671910 6 12.9364096564 4.10752092444 1.65236698309 1 16.2316861745 3.05537583528 3.74640500018 1 12.7765418719 -2.82982636485 -0.488648395220 1 13.0085282876 6.05136023195 2.20986983423 1 9.65703039613 4.54278939690 -0.674485001885 16 16.8933356488 -2.20308237715 2.96282720847 8 17.1654544206 -4.16922825102 1.12553453199 8 18.9940820965 -0.731414937095 3.82882717480 7 15.6175472951 -3.46311887774 5.41587468911 1 15.9629473681 -2.75343817166 7.13085232509 1 14.7456722210 -5.13162497330 5.26853072316 6 9.06040892940 -0.201291984067 -2.46474864871 8 8.91665151407 -2.36805020959 -3.16600142043 8 7.43567148504 1.60759380764 -3.21024508761 6 5.40076218187 0.941573563734 -4.96333502457 1 6.16223386958 -0.282504725278 -6.40561520272 1 4.83637016269 2.72590185916 -5.76743153053 6 3.22465398359 -0.335499112468 -3.56255615145 1 3.88723544293 -2.11837323163 -2.80741591652 1 1.74866488564 -0.745640292260 -4.92795366683 6 2.15777787507 1.32856537299 -1.43129092786 1 3.66996182072 1.79605579868 -0.134672107749 1 1.47023890202 3.09083857609 -2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 -1.74919959851 0.839514279590 1 -1.54647644809 -0.446140232212 -1.26996230476 1 -0.727968804225 1.19296015340 1.49826125964 ------------------------------------------------ 6 14.1238159113 -1.214503673567E-17 0.678437661017 6 9.44100667607 -7.329180195868E-17 -1.68836769331 6 12.9508759688 2.26624992338 0.112955994743 6 12.9508759688 -2.26624992338 0.112955994743 6 10.6269754875 -2.25848844080 -1.07270695836 6 10.6269754875 2.25848844080 -1.07270695836 1 13.8404298349 4.00630337757 0.636723693997 1 13.8404298349 -4.00630337757 0.636723693997 1 9.72086351835 -4.01774604637 -1.51016368205 1 9.72086351835 4.01774604637 -1.51016368205 16 17.0896510524 2.469474469544E-17 2.11542048055 8 17.3657436482 -2.36962001365 3.39654871916 8 17.3657436482 2.36962001365 3.39654871916 7 19.1011870389 -4.944166890890E-17 -0.167534197609 1 19.8356986120 1.62853921182 -0.776447021723 1 19.8356986120 -1.62853921182 -0.776447021723 6 6.84711615725 -1.041405701228E-16 -2.90008400935 1 6.63682781461 1.65387609096 -4.09248466188 1 6.63682781461 -1.65387609096 -4.09248466188 6 4.74105840551 -3.748430357849E-17 -0.870168924938 1 4.96583213621 1.65095665328 0.325145161310 1 4.96583213621 -1.65095665328 0.325145161310 6 2.07671001580 -6.693452376398E-17 -2.04129882743 1 1.86017810411 1.65244972578 -3.23844110052 1 1.86017810411 -1.65244972578 -3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 1.66008648645 1.19157111842 1 -1.86482588637 -2.150045959666E-17 -0.848869041688 1 0.161115980412 -1.66008648645 1.19157111842 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide --> 6-*- 6 (6)4-Am-Benzenesulfonamide ------------------------------------------------ 6 14.6470472295 -7.927582673955E-02 1.80388763872 6 11.0622537716 3.27640760804 3.297672786334E-02 6 14.7369160592 2.43215177975 2.53444551673 6 12.8070002392 -0.912058450381 0.154696461770 6 11.0072899085 0.769206969645 -0.713259671910 6 12.9364096564 4.10752092444 1.65236698309 1 16.2316861745 3.05537583528 3.74640500018 1 12.7765418719 -2.82982636485 -0.488648395220 1 13.0085282876 6.05136023195 2.20986983423 1 9.65703039613 4.54278939690 -0.674485001885 16 16.8933356488 -2.20308237715 2.96282720847 8 17.1654544206 -4.16922825102 1.12553453199 8 18.9940820965 -0.731414937095 3.82882717480 7 15.6175472951 -3.46311887774 5.41587468911 1 15.9629473681 -2.75343817166 7.13085232509 1 14.7456722210 -5.13162497330 5.26853072316 6 9.06040892940 -0.201291984067 -2.46474864871 8 8.91665151407 -2.36805020959 -3.16600142043 8 7.43567148504 1.60759380764 -3.21024508761 6 5.40076218187 0.941573563734 -4.96333502457 1 6.16223386958 -0.282504725278 -6.40561520272 1 4.83637016269 2.72590185916 -5.76743153053 6 3.22465398359 -0.335499112468 -3.56255615145 1 3.88723544293 -2.11837323163 -2.80741591652 1 1.74866488564 -0.745640292260 -4.92795366683 6 2.15777787507 1.32856537299 -1.43129092786 1 3.66996182072 1.79605579868 -0.134672107749 1 1.47023890202 3.09083857609 -2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 -1.74919959851 0.839514279590 1 -1.54647644809 -0.446140232212 -1.26996230476 1 -0.727968804225 1.19296015340 1.49826125964 ------------------------------------------------ 6 16.9068057473 -0.243177970445 1.059325119563E-16 6 12.0155875324 1.65600530852 7.874007219591E-16 6 15.7028346951 0.252939874960 2.26622819153 6 15.7028346951 0.252939874960 -2.26622819153 6 13.2672687790 1.18799231963 -2.25851621977 6 13.2672687790 1.18799231963 2.25851621977 1 16.6905927723 -4.935959543974E-02 4.00587781127 1 16.6905927723 -4.935959543974E-02 -4.00587781127 1 12.3418929399 1.58361797677 -4.01758126227 1 12.3418929399 1.58361797677 4.01758126227 16 19.9613139677 -1.48061075670 -3.396565444380E-16 8 21.0975033451 -0.827628604396 -2.36965497358 8 21.0975033451 -0.827628604396 2.36965497358 7 19.6140817394 -4.50363661503 -1.520890767875E-15 1 19.6563448244 -5.45686048237 1.62850009449 1 19.6563448244 -5.45686048237 -1.62850009449 6 9.31463490683 2.60509907624 1.124910972962E-15 1 8.98767928251 3.77103356608 1.65353820795 1 8.98767928251 3.77103356608 -1.65353820795 6 7.41754404250 0.378508099205 2.354035425308E-16 1 7.75886683358 -0.788097380015 1.65185162751 1 7.75886683358 -0.788097380015 -1.65185162751 6 4.65268631611 1.28701345345 5.563510498846E-16 1 4.32004736793 2.45842354097 1.65339251008 1 4.32004736793 2.45842354097 -1.65339251008 6 2.76072678768 -0.925807775628 -3.277337893163E-16 1 3.09073708924 -2.09665994535 1.65204135600 1 3.09073708924 -2.09665994535 -1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 1.14184653845 1.66034613480 1 -1.30590878374 -1.57901648689 -6.303379891292E-16 1 -0.377248445559 1.14184653845 -1.66034613480 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide ------------------------------------------------ 6 14.6470472295 -7.927582673955E-02 1.80388763872 6 11.0622537716 3.27640760804 3.297672786334E-02 6 14.7369160592 2.43215177975 2.53444551673 6 12.8070002392 -0.912058450381 0.154696461770 6 11.0072899085 0.769206969645 -0.713259671910 6 12.9364096564 4.10752092444 1.65236698309 1 16.2316861745 3.05537583528 3.74640500018 1 12.7765418719 -2.82982636485 -0.488648395220 1 13.0085282876 6.05136023195 2.20986983423 1 9.65703039613 4.54278939690 -0.674485001885 16 16.8933356488 -2.20308237715 2.96282720847 8 17.1654544206 -4.16922825102 1.12553453199 8 18.9940820965 -0.731414937095 3.82882717480 7 15.6175472951 -3.46311887774 5.41587468911 1 15.9629473681 -2.75343817166 7.13085232509 1 14.7456722210 -5.13162497330 5.26853072316 6 9.06040892940 -0.201291984067 -2.46474864871 8 8.91665151407 -2.36805020959 -3.16600142043 8 7.43567148504 1.60759380764 -3.21024508761 6 5.40076218187 0.941573563734 -4.96333502457 1 6.16223386958 -0.282504725278 -6.40561520272 1 4.83637016269 2.72590185916 -5.76743153053 6 3.22465398359 -0.335499112468 -3.56255615145 1 3.88723544293 -2.11837323163 -2.80741591652 1 1.74866488564 -0.745640292260 -4.92795366683 6 2.15777787507 1.32856537299 -1.43129092786 1 3.66996182072 1.79605579868 -0.134672107749 1 1.47023890202 3.09083857609 -2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 -1.74919959851 0.839514279590 1 -1.54647644809 -0.446140232212 -1.26996230476 1 -0.727968804225 1.19296015340 1.49826125964 ------------------------------------------------ 6 12.0127056291 0.467319191248 -0.111806432972 6 6.97352093600 -0.759917308701 -4.748266917407E-02 6 10.2217532895 2.37079219426 -0.152809003460 6 11.3033419938 -2.04980757052 -9.307700569057E-02 6 8.76972951282 -2.66113662451 -5.092383423729E-02 6 7.68607351310 1.75397861179 -0.112223563757 1 10.8183018721 4.29997421278 -0.259688127616 1 12.7207799808 -3.49060386186 -0.155267676093 1 8.15790328645 -4.58878364063 -3.776105769249E-02 1 6.26630294078 3.18887845369 -0.146456888627 16 15.2263520177 1.25494370756 -8.406950718910E-02 8 16.5763713396 -0.857729096636 -1.09992283794 8 15.4471228542 3.74394477194 -1.12115495093 7 15.9595091226 1.44681230628 2.85648386684 1 15.9368640683 3.12142107712 3.72820018659 1 16.7225609771 -3.868535428217E-02 3.73740008869 6 4.28110783217 -1.51706821998 -4.380793909740E-03 8 3.53735775286 -3.67127241182 4.627237069106E-02 8 2.70645115658 0.479140449071 -2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 -1.08656629775 -1.64022531142 1 -0.866069129495 1.83937203385 -2.906081667564E-02 1 -0.516390062658 -1.02531407580 1.68530034526 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide ------------------------------------------------ 6 14.6470472295 -7.927582673955E-02 1.80388763872 6 11.0622537716 3.27640760804 3.297672786334E-02 6 14.7369160592 2.43215177975 2.53444551673 6 12.8070002392 -0.912058450381 0.154696461770 6 11.0072899085 0.769206969645 -0.713259671910 6 12.9364096564 4.10752092444 1.65236698309 1 16.2316861745 3.05537583528 3.74640500018 1 12.7765418719 -2.82982636485 -0.488648395220 1 13.0085282876 6.05136023195 2.20986983423 1 9.65703039613 4.54278939690 -0.674485001885 16 16.8933356488 -2.20308237715 2.96282720847 8 17.1654544206 -4.16922825102 1.12553453199 8 18.9940820965 -0.731414937095 3.82882717480 7 15.6175472951 -3.46311887774 5.41587468911 1 15.9629473681 -2.75343817166 7.13085232509 1 14.7456722210 -5.13162497330 5.26853072316 6 9.06040892940 -0.201291984067 -2.46474864871 8 8.91665151407 -2.36805020959 -3.16600142043 8 7.43567148504 1.60759380764 -3.21024508761 6 5.40076218187 0.941573563734 -4.96333502457 1 6.16223386958 -0.282504725278 -6.40561520272 1 4.83637016269 2.72590185916 -5.76743153053 6 3.22465398359 -0.335499112468 -3.56255615145 1 3.88723544293 -2.11837323163 -2.80741591652 1 1.74866488564 -0.745640292260 -4.92795366683 6 2.15777787507 1.32856537299 -1.43129092786 1 3.66996182072 1.79605579868 -0.134672107749 1 1.47023890202 3.09083857609 -2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 -1.74919959851 0.839514279590 1 -1.54647644809 -0.446140232212 -1.26996230476 1 -0.727968804225 1.19296015340 1.49826125964 ------------------------------------------------ 6 9.25649635012 1.80846527957 9.292601243073E-02 6 4.49653007628 -0.252386364964 5.563329730033E-02 6 8.97661510100 -0.790299344150 0.119114341606 6 7.17209172246 3.38798511785 0.102169685012 6 4.78224687467 2.34735739516 7.329320901833E-02 6 6.58177520099 -1.82758693433 9.237860791359E-02 1 10.6170947155 -1.96958871556 0.204027651419 1 7.43391914542 5.39176377246 0.175377186833 1 3.13114524169 3.51529832560 8.157662744579E-02 1 6.31465409765 -3.82860234946 0.115984151186 16 12.2941652834 3.11903583590 4.829871274683E-02 8 12.1064542125 5.60990047425 1.08680327140 8 13.9812398042 1.25851015147 1.05437846650 7 12.9682120575 3.43319864541 -2.89600901229 1 13.9516579638 2.09107340260 -3.78830088073 1 12.6725674087 5.08557002470 -3.76041888038 6 1.89086902464 -1.27466774715 2.847109335790E-02 8 1.83775228380 -3.81438709360 3.668617006514E-02 6 -0.611334772331 -5.09553939230 2.759474634627E-02 1 -1.67193584771 -4.49484752416 1.66284241111 1 -1.63290597596 -4.54650767572 -1.65033477868 6 -2.628882640013E-02 -7.90958602311 7.826139859268E-02 1 1.04055063371 -8.37091267308 1.76016592182 1 1.08118978950 -8.42305482102 -1.56183569609 1 -1.76381943467 -8.99262746496 7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide ------------------------------------------------ 6 14.6470472295 -7.927582673955E-02 1.80388763872 6 11.0622537716 3.27640760804 3.297672786334E-02 6 14.7369160592 2.43215177975 2.53444551673 6 12.8070002392 -0.912058450381 0.154696461770 6 11.0072899085 0.769206969645 -0.713259671910 6 12.9364096564 4.10752092444 1.65236698309 1 16.2316861745 3.05537583528 3.74640500018 1 12.7765418719 -2.82982636485 -0.488648395220 1 13.0085282876 6.05136023195 2.20986983423 1 9.65703039613 4.54278939690 -0.674485001885 16 16.8933356488 -2.20308237715 2.96282720847 8 17.1654544206 -4.16922825102 1.12553453199 8 18.9940820965 -0.731414937095 3.82882717480 7 15.6175472951 -3.46311887774 5.41587468911 1 15.9629473681 -2.75343817166 7.13085232509 1 14.7456722210 -5.13162497330 5.26853072316 6 9.06040892940 -0.201291984067 -2.46474864871 8 8.91665151407 -2.36805020959 -3.16600142043 8 7.43567148504 1.60759380764 -3.21024508761 6 5.40076218187 0.941573563734 -4.96333502457 1 6.16223386958 -0.282504725278 -6.40561520272 1 4.83637016269 2.72590185916 -5.76743153053 6 3.22465398359 -0.335499112468 -3.56255615145 1 3.88723544293 -2.11837323163 -2.80741591652 1 1.74866488564 -0.745640292260 -4.92795366683 6 2.15777787507 1.32856537299 -1.43129092786 1 3.66996182072 1.79605579868 -0.134672107749 1 1.47023890202 3.09083857609 -2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 -1.74919959851 0.839514279590 1 -1.54647644809 -0.446140232212 -1.26996230476 1 -0.727968804225 1.19296015340 1.49826125964 ------------------------------------------------ 6 16.2691799750 -0.861123974289 0.131186883282 6 11.5121945621 1.20427204035 2.028457912686E-02 6 14.1804039648 -2.43212467262 0.170027955664 6 15.9979271981 1.73975638478 9.085209513991E-02 6 13.6053532164 2.77244247494 2.499575182470E-02 6 11.7868447762 -1.39343219905 0.106330752902 1 14.4397111888 -4.43379554927 0.293347888880 1 17.6391790059 2.91927288464 0.155077522013 1 13.3297352136 4.77580185192 -5.280276989638E-03 1 10.1431555114 -2.56525744119 0.138937307621 16 19.3020004227 -2.18348775204 0.134299477251 8 20.9842079738 -0.325733494236 1.15270139607 8 19.0886880558 -4.66812122535 1.18366001761 7 20.0154046741 -2.51391842666 -2.79896253743 1 19.7140075146 -4.16469009410 -3.66423830225 1 21.0264342221 -1.18451012097 -3.67951649332 6 8.98524438142 2.40710164988 -4.683800638368E-02 8 8.62404088094 4.65762117820 -0.119145313158 8 7.09521260910 0.710056286046 -2.027193485411E-02 6 4.48588899364 1.61442012240 -6.043557639931E-02 1 4.18402977757 2.83160191470 1.54997335048 1 4.18851510037 2.69852442655 -1.76429702456 6 2.81774658260 -0.727728392362 3.131445935321E-02 1 3.26511634385 -1.91346199534 -1.57535965464 1 3.26258594609 -1.78075553052 1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 -1.67378352623 6.601676572586E-02 1 -0.468128283684 1.03824231167 -1.70442814436 1 -0.470300494955 1.17038221894 1.61582801791 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide ------------------------------------------------ 6 14.6470472295 -7.927582673955E-02 1.80388763872 6 11.0622537716 3.27640760804 3.297672786334E-02 6 14.7369160592 2.43215177975 2.53444551673 6 12.8070002392 -0.912058450381 0.154696461770 6 11.0072899085 0.769206969645 -0.713259671910 6 12.9364096564 4.10752092444 1.65236698309 1 16.2316861745 3.05537583528 3.74640500018 1 12.7765418719 -2.82982636485 -0.488648395220 1 13.0085282876 6.05136023195 2.20986983423 1 9.65703039613 4.54278939690 -0.674485001885 16 16.8933356488 -2.20308237715 2.96282720847 8 17.1654544206 -4.16922825102 1.12553453199 8 18.9940820965 -0.731414937095 3.82882717480 7 15.6175472951 -3.46311887774 5.41587468911 1 15.9629473681 -2.75343817166 7.13085232509 1 14.7456722210 -5.13162497330 5.26853072316 6 9.06040892940 -0.201291984067 -2.46474864871 8 8.91665151407 -2.36805020959 -3.16600142043 8 7.43567148504 1.60759380764 -3.21024508761 6 5.40076218187 0.941573563734 -4.96333502457 1 6.16223386958 -0.282504725278 -6.40561520272 1 4.83637016269 2.72590185916 -5.76743153053 6 3.22465398359 -0.335499112468 -3.56255615145 1 3.88723544293 -2.11837323163 -2.80741591652 1 1.74866488564 -0.745640292260 -4.92795366683 6 2.15777787507 1.32856537299 -1.43129092786 1 3.66996182072 1.79605579868 -0.134672107749 1 1.47023890202 3.09083857609 -2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 -1.74919959851 0.839514279590 1 -1.54647644809 -0.446140232212 -1.26996230476 1 -0.727968804225 1.19296015340 1.49826125964 ------------------------------------------------ 6 17.9684279399 -1.54301176377 0.149693423226 6 13.6326730870 1.30132688262 2.138183749743E-02 6 15.6426740929 -2.73563073422 0.189786012449 6 18.1438750705 1.06604052147 9.962044033802E-02 6 15.9621451629 2.49057033907 2.523220981312E-02 6 13.4610204855 -1.30509459913 0.117287370756 1 15.5573431966 -4.75166639252 0.321088296824 1 19.9617870444 1.94922244854 0.163264253275 1 16.0314585342 4.51140907128 -1.239461845501E-02 1 11.6418341179 -2.17978662007 0.150641401029 16 20.7317846783 -3.36204210634 0.163987391502 8 22.7051478607 -1.81249173186 1.17548489088 8 20.0987699462 -5.76903704384 1.22508771415 7 21.3801516200 -3.82469400623 -2.76690153273 1 20.8048852121 -5.40607792939 -3.62309870587 1 22.6005200302 -2.68935847433 -3.65393602741 6 11.3472294671 2.91626214998 -5.651370344789E-02 8 9.19665552725 1.56522590120 -3.245613991045E-02 6 6.77856962350 2.90016097853 -8.749655544515E-02 1 6.67652246165 4.14495637472 1.52674105702 1 6.68550306343 4.02593032336 -1.78755983989 6 4.73704841955 0.874096953142 -1.969560988444E-02 1 4.98065500262 -0.246176556333 1.67702200013 1 4.98893864106 -0.366141886882 -1.62964287548 8 11.3745245833 5.19521098803 -0.135688264964 6 2.07271853085 2.04310727132 -6.880948422220E-02 1 1.85408721205 3.17805095775 -1.76397604453 1 1.84594669663 3.29720682002 1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 -1.24962477650 -1.61609500694 1 -1.86381093455 0.848750824383 -3.507941596838E-02 1 0.158113135931 -1.12952769314 1.70286806009 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide --> 11-*- 11 (11)4-COOAm-benzenesulfonamide ------------------------------------------------ 6 14.6470472295 -7.927582673955E-02 1.80388763872 6 11.0622537716 3.27640760804 3.297672786334E-02 6 14.7369160592 2.43215177975 2.53444551673 6 12.8070002392 -0.912058450381 0.154696461770 6 11.0072899085 0.769206969645 -0.713259671910 6 12.9364096564 4.10752092444 1.65236698309 1 16.2316861745 3.05537583528 3.74640500018 1 12.7765418719 -2.82982636485 -0.488648395220 1 13.0085282876 6.05136023195 2.20986983423 1 9.65703039613 4.54278939690 -0.674485001885 16 16.8933356488 -2.20308237715 2.96282720847 8 17.1654544206 -4.16922825102 1.12553453199 8 18.9940820965 -0.731414937095 3.82882717480 7 15.6175472951 -3.46311887774 5.41587468911 1 15.9629473681 -2.75343817166 7.13085232509 1 14.7456722210 -5.13162497330 5.26853072316 6 9.06040892940 -0.201291984067 -2.46474864871 8 8.91665151407 -2.36805020959 -3.16600142043 8 7.43567148504 1.60759380764 -3.21024508761 6 5.40076218187 0.941573563734 -4.96333502457 1 6.16223386958 -0.282504725278 -6.40561520272 1 4.83637016269 2.72590185916 -5.76743153053 6 3.22465398359 -0.335499112468 -3.56255615145 1 3.88723544293 -2.11837323163 -2.80741591652 1 1.74866488564 -0.745640292260 -4.92795366683 6 2.15777787507 1.32856537299 -1.43129092786 1 3.66996182072 1.79605579868 -0.134672107749 1 1.47023890202 3.09083857609 -2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 -1.74919959851 0.839514279590 1 -1.54647644809 -0.446140232212 -1.26996230476 1 -0.727968804225 1.19296015340 1.49826125964 ------------------------------------------------ 6 20.7940103927 1.18292577645 -0.135748344237 6 16.2553748543 -1.32561650568 -1.898358840442E-02 6 18.5653398548 2.54782901355 -0.185991958815 6 20.7714899222 -1.43194635192 -8.119491494154E-02 6 18.4881809521 -2.68752983337 -1.268047644927E-02 6 16.2816292072 1.28621992460 -0.119293218161 1 18.6330826801 4.56430368467 -0.320494210942 1 22.5176825572 -2.45010794741 -0.136961916771 1 18.4044365481 -4.70774521966 2.810073710092E-02 1 14.5338256999 2.29576106594 -0.160475355254 16 23.6871881374 2.78742501086 -0.142668366748 8 25.5411157417 1.09148804236 -1.14525598407 8 23.2417958312 5.23383132605 -1.20898679380 7 24.3589360690 3.20370291968 2.78991772878 1 23.9091509095 4.82809819444 3.64057141352 1 25.4806790933 1.97605258766 3.68426382740 6 13.8540126043 -2.76296861394 5.303453877654E-02 8 11.8120703378 -1.25321399795 2.008307004224E-02 6 9.29901118039 -2.40045989565 6.905102121977E-02 1 9.10783205313 -3.63690786172 -1.54345602431 1 9.11551718001 -3.51245649883 1.77073227684 6 7.41759711942 -0.225163913710 -8.381954772778E-03 1 7.75164296187 0.869303738938 -1.70652575015 1 7.75918159098 0.994644284689 1.60061304784 8 13.7086109469 -5.03734953143 0.135183415616 6 4.67345055952 -1.19177646373 3.443655708758E-02 1 4.36347393069 -2.30467041402 1.73186035831 1 4.35593551642 -2.42824308851 -1.57363269202 6 2.73979046465 0.982603093803 -4.252073111888E-02 1 3.05064854136 2.21942573316 1.56427419659 1 3.04356406783 2.09606747732 -1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 -1.08637600396 1.70287631133 1 -0.357289139629 -1.20966193729 -1.61602453331 1 -1.33734281519 1.55130517970 -5.488380719168E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide ------------------------------------------------ 6 14.6470472295 -7.927582673955E-02 1.80388763872 6 11.0622537716 3.27640760804 3.297672786334E-02 6 14.7369160592 2.43215177975 2.53444551673 6 12.8070002392 -0.912058450381 0.154696461770 6 11.0072899085 0.769206969645 -0.713259671910 6 12.9364096564 4.10752092444 1.65236698309 1 16.2316861745 3.05537583528 3.74640500018 1 12.7765418719 -2.82982636485 -0.488648395220 1 13.0085282876 6.05136023195 2.20986983423 1 9.65703039613 4.54278939690 -0.674485001885 16 16.8933356488 -2.20308237715 2.96282720847 8 17.1654544206 -4.16922825102 1.12553453199 8 18.9940820965 -0.731414937095 3.82882717480 7 15.6175472951 -3.46311887774 5.41587468911 1 15.9629473681 -2.75343817166 7.13085232509 1 14.7456722210 -5.13162497330 5.26853072316 6 9.06040892940 -0.201291984067 -2.46474864871 8 8.91665151407 -2.36805020959 -3.16600142043 8 7.43567148504 1.60759380764 -3.21024508761 6 5.40076218187 0.941573563734 -4.96333502457 1 6.16223386958 -0.282504725278 -6.40561520272 1 4.83637016269 2.72590185916 -5.76743153053 6 3.22465398359 -0.335499112468 -3.56255615145 1 3.88723544293 -2.11837323163 -2.80741591652 1 1.74866488564 -0.745640292260 -4.92795366683 6 2.15777787507 1.32856537299 -1.43129092786 1 3.66996182072 1.79605579868 -0.134672107749 1 1.47023890202 3.09083857609 -2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 -1.74919959851 0.839514279590 1 -1.54647644809 -0.446140232212 -1.26996230476 1 -0.727968804225 1.19296015340 1.49826125964 ------------------------------------------------ 6 22.6680723895 1.90654821224 -0.175233423843 6 18.4884955220 -1.16205594440 -2.429127256041E-02 6 20.2830274345 2.97597725977 -0.173664688758 6 22.9799650421 -0.690079737778 -0.155208703405 6 20.8766221032 -2.22748679265 -6.903817015508E-02 6 18.1799381157 1.43239889865 -8.995095951044E-02 1 20.0909835172 4.98607533718 -0.281845826277 1 24.8405388049 -1.47638787062 -0.250726882769 1 21.0517072441 -4.24227251958 -5.371272626672E-02 1 16.3172055949 2.21104024810 -9.170563306660E-02 16 25.3324936821 3.86769909134 -0.204282249485 8 27.3689282330 2.43608131514 -1.26337330774 8 24.5588648910 6.25073611663 -1.22544756910 7 25.9991456410 4.32704671165 2.72259774632 1 25.3514763748 5.86285263510 3.60932921947 1 27.2925393220 3.24838521296 3.57606690334 6 16.2916230451 -2.89540499983 6.179565244721E-02 8 14.0727663740 -1.65964926922 7.242285012777E-02 6 11.7286122162 -3.12131087053 0.129207796905 1 11.6916371367 -4.36862899705 -1.48585984781 1 11.6980732731 -4.25127283221 1.82879684924 6 9.58109439663 -1.20776499556 6.511610601119E-02 1 9.76756866224 -7.139861485579E-02 -1.62808855633 1 9.76377736159 3.875539761361E-02 1.67952200771 8 16.4397777482 -5.17051756224 0.117582340473 6 6.98540215161 -2.52323506137 0.105275847922 1 6.82580399210 -3.67429399210 1.79800400123 1 6.83170567671 -3.78372128405 -1.50810456154 6 4.78702881724 -0.616612023999 3.768403587990E-02 1 4.93145580826 0.642205670084 1.65293843334 1 4.94358499840 0.538158692436 -1.65236070615 6 2.18592326697 -1.92237034783 6.880796847135E-02 1 2.02940000857 -3.07742276656 1.75724206468 1 2.04230086267 -3.18049871305 -1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 1.24972460005 1.62283624211 1 -1.81555813970 -0.949604486281 2.171294654113E-02 1 0.101559387270 1.14661307089 -1.69643499199 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide ------------------------------------------------ 6 14.6470472295 -7.927582673955E-02 1.80388763872 6 11.0622537716 3.27640760804 3.297672786334E-02 6 14.7369160592 2.43215177975 2.53444551673 6 12.8070002392 -0.912058450381 0.154696461770 6 11.0072899085 0.769206969645 -0.713259671910 6 12.9364096564 4.10752092444 1.65236698309 1 16.2316861745 3.05537583528 3.74640500018 1 12.7765418719 -2.82982636485 -0.488648395220 1 13.0085282876 6.05136023195 2.20986983423 1 9.65703039613 4.54278939690 -0.674485001885 16 16.8933356488 -2.20308237715 2.96282720847 8 17.1654544206 -4.16922825102 1.12553453199 8 18.9940820965 -0.731414937095 3.82882717480 7 15.6175472951 -3.46311887774 5.41587468911 1 15.9629473681 -2.75343817166 7.13085232509 1 14.7456722210 -5.13162497330 5.26853072316 6 9.06040892940 -0.201291984067 -2.46474864871 8 8.91665151407 -2.36805020959 -3.16600142043 8 7.43567148504 1.60759380764 -3.21024508761 6 5.40076218187 0.941573563734 -4.96333502457 1 6.16223386958 -0.282504725278 -6.40561520272 1 4.83637016269 2.72590185916 -5.76743153053 6 3.22465398359 -0.335499112468 -3.56255615145 1 3.88723544293 -2.11837323163 -2.80741591652 1 1.74866488564 -0.745640292260 -4.92795366683 6 2.15777787507 1.32856537299 -1.43129092786 1 3.66996182072 1.79605579868 -0.134672107749 1 1.47023890202 3.09083857609 -2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 -1.74919959851 0.839514279590 1 -1.54647644809 -0.446140232212 -1.26996230476 1 -0.727968804225 1.19296015340 1.49826125964 ------------------------------------------------ 6 12.2734251286 0.428907088210 -3.130417300445E-02 6 7.16512558575 -0.605433656762 -0.183825719733 6 10.5713708299 2.37495748345 -0.399070980710 6 11.4474717344 -2.04279012262 0.176766780326 6 8.89344536670 -2.55194533980 9.586430260886E-02 6 8.01368059796 1.85426065145 -0.469957115655 1 11.2546633574 4.25736622768 -0.680203900338 1 12.7976479862 -3.53900012680 0.347716707934 1 8.19737481149 -4.44495294702 0.221953717805 1 6.71862383287 3.36899815646 -0.820375895056 16 15.5058925312 1.09988548484 0.139878058083 8 16.8322621021 -1.12838754297 -0.629587328980 8 15.8847585470 3.49504260894 -1.06180455980 7 16.0744500874 1.48770706952 3.09912365385 1 16.0632182407 3.22273094432 3.84357473139 1 16.7466970697 5.130502478586E-02 4.12393032748 6 4.42868586731 -1.35626047301 -0.252477484269 8 3.82938195486 -3.56208325758 -0.576406362775 7 2.71818896568 0.506140006335 9.280093005674E-02 1 3.27509805498 2.22468116302 0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 -1.90115557994 -0.684101664629 1 -0.922458262213 1.31460329988 -1.26745769935 1 -0.840700153890 0.156106480461 1.86072422508 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide ------------------------------------------------ 6 14.6470472295 -7.927582673955E-02 1.80388763872 6 11.0622537716 3.27640760804 3.297672786334E-02 6 14.7369160592 2.43215177975 2.53444551673 6 12.8070002392 -0.912058450381 0.154696461770 6 11.0072899085 0.769206969645 -0.713259671910 6 12.9364096564 4.10752092444 1.65236698309 1 16.2316861745 3.05537583528 3.74640500018 1 12.7765418719 -2.82982636485 -0.488648395220 1 13.0085282876 6.05136023195 2.20986983423 1 9.65703039613 4.54278939690 -0.674485001885 16 16.8933356488 -2.20308237715 2.96282720847 8 17.1654544206 -4.16922825102 1.12553453199 8 18.9940820965 -0.731414937095 3.82882717480 7 15.6175472951 -3.46311887774 5.41587468911 1 15.9629473681 -2.75343817166 7.13085232509 1 14.7456722210 -5.13162497330 5.26853072316 6 9.06040892940 -0.201291984067 -2.46474864871 8 8.91665151407 -2.36805020959 -3.16600142043 8 7.43567148504 1.60759380764 -3.21024508761 6 5.40076218187 0.941573563734 -4.96333502457 1 6.16223386958 -0.282504725278 -6.40561520272 1 4.83637016269 2.72590185916 -5.76743153053 6 3.22465398359 -0.335499112468 -3.56255615145 1 3.88723544293 -2.11837323163 -2.80741591652 1 1.74866488564 -0.745640292260 -4.92795366683 6 2.15777787507 1.32856537299 -1.43129092786 1 3.66996182072 1.79605579868 -0.134672107749 1 1.47023890202 3.09083857609 -2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 -1.74919959851 0.839514279590 1 -1.54647644809 -0.446140232212 -1.26996230476 1 -0.727968804225 1.19296015340 1.49826125964 ------------------------------------------------ 6 13.4991057155 -0.357473590767 0.713811663238 6 8.48076024177 0.503164540210 -0.416629781928 6 11.8631397624 -2.37874757162 0.473562136431 6 12.6300343135 2.09621222127 0.471550344568 6 10.1214739007 2.51780523488 -9.207153793854E-02 6 9.35258280198 -1.94453974915 -9.759660250163E-02 1 12.5459565012 -4.25659611519 0.784414249864 1 13.8986334476 3.64265027953 0.771481617840 1 9.38607236031 4.39164092392 -0.267910179188 1 8.09763925784 -3.52677510687 -0.221740185849 16 16.6935460046 -0.912646421298 1.35805736093 8 17.6544840841 1.28364835574 2.61076734769 8 16.8676643394 -3.38662077444 2.44146121239 7 18.0366372567 -1.03700758771 -1.36404066179 1 18.3163089429 -2.70480564337 -2.20359468998 1 18.8696549651 0.501492704799 -2.07432409737 6 5.78952802473 1.16981982693 -1.02631101775 8 5.04502030288 3.34753860849 -0.814795268017 7 4.26922563055 -0.704156458501 -1.84300557024 1 4.93783248921 -2.42933031646 -2.15895801923 6 1.59945609057 -0.196996634022 -2.41475962510 1 1.48860461593 1.55437999117 -3.45794673312 1 0.926691554047 -1.71487444573 -3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 -1.73213272312 1.08507996536 1 -1.96325947579 0.346439546764 -0.473696207925 1 0.684941159121 1.55321650721 1.13775889828 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide ------------------------------------------------ 6 14.6470472295 -7.927582673955E-02 1.80388763872 6 11.0622537716 3.27640760804 3.297672786334E-02 6 14.7369160592 2.43215177975 2.53444551673 6 12.8070002392 -0.912058450381 0.154696461770 6 11.0072899085 0.769206969645 -0.713259671910 6 12.9364096564 4.10752092444 1.65236698309 1 16.2316861745 3.05537583528 3.74640500018 1 12.7765418719 -2.82982636485 -0.488648395220 1 13.0085282876 6.05136023195 2.20986983423 1 9.65703039613 4.54278939690 -0.674485001885 16 16.8933356488 -2.20308237715 2.96282720847 8 17.1654544206 -4.16922825102 1.12553453199 8 18.9940820965 -0.731414937095 3.82882717480 7 15.6175472951 -3.46311887774 5.41587468911 1 15.9629473681 -2.75343817166 7.13085232509 1 14.7456722210 -5.13162497330 5.26853072316 6 9.06040892940 -0.201291984067 -2.46474864871 8 8.91665151407 -2.36805020959 -3.16600142043 8 7.43567148504 1.60759380764 -3.21024508761 6 5.40076218187 0.941573563734 -4.96333502457 1 6.16223386958 -0.282504725278 -6.40561520272 1 4.83637016269 2.72590185916 -5.76743153053 6 3.22465398359 -0.335499112468 -3.56255615145 1 3.88723544293 -2.11837323163 -2.80741591652 1 1.74866488564 -0.745640292260 -4.92795366683 6 2.15777787507 1.32856537299 -1.43129092786 1 3.66996182072 1.79605579868 -0.134672107749 1 1.47023890202 3.09083857609 -2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 -1.74919959851 0.839514279590 1 -1.54647644809 -0.446140232212 -1.26996230476 1 -0.727968804225 1.19296015340 1.49826125964 ------------------------------------------------ 6 16.3895792015 -0.240489114104 0.536193806704 6 11.2920888992 0.451096170868 -0.326090712247 6 14.8194157858 -2.31710236513 0.332180772567 6 15.4194231089 2.18266311147 0.390199489610 6 12.8721086867 2.51961306172 -4.014493484245E-02 6 12.2689440408 -1.96736827272 -0.104588496551 1 15.5860110543 -4.17358955286 0.566758904214 1 16.6431929451 3.77015985899 0.660657202547 1 12.0602052934 4.36724803133 -0.139997105688 1 11.0701659350 -3.59425419512 -0.203144347206 16 19.6304263353 -0.686794962887 1.01096050120 8 20.5702877543 1.51578267698 2.26860480338 8 19.9498684877 -3.17604514588 2.02400342944 7 20.8410111234 -0.697292062619 -1.77517976903 1 21.1380020961 -2.33317949807 -2.66979007743 1 21.5834993494 0.887153761337 -2.48491793384 6 8.55072081282 1.02933075625 -0.787372576289 8 7.74481307558 3.17762575485 -0.511396947249 7 7.05397038251 -0.888627903207 -1.54546896295 1 7.76234008752 -2.58922394741 -1.90477240945 6 4.34412151772 -0.471267660613 -1.97617977221 1 4.11567022133 1.31564616149 -2.93907082096 1 3.66918162500 -1.96785234101 -3.19655760703 6 2.83322401463 -0.431124044979 0.504279368481 1 3.11335731365 -2.20436047481 1.49304292078 1 3.57440415444 1.07510116992 1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 -1.49697720468 -1.17000519138 1 -0.298267921192 1.78626047228 -0.960482973300 1 -1.05317079190 4.110766263255E-02 1.75580559418 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide ------------------------------------------------ 6 14.6470472295 -7.927582673955E-02 1.80388763872 6 11.0622537716 3.27640760804 3.297672786334E-02 6 14.7369160592 2.43215177975 2.53444551673 6 12.8070002392 -0.912058450381 0.154696461770 6 11.0072899085 0.769206969645 -0.713259671910 6 12.9364096564 4.10752092444 1.65236698309 1 16.2316861745 3.05537583528 3.74640500018 1 12.7765418719 -2.82982636485 -0.488648395220 1 13.0085282876 6.05136023195 2.20986983423 1 9.65703039613 4.54278939690 -0.674485001885 16 16.8933356488 -2.20308237715 2.96282720847 8 17.1654544206 -4.16922825102 1.12553453199 8 18.9940820965 -0.731414937095 3.82882717480 7 15.6175472951 -3.46311887774 5.41587468911 1 15.9629473681 -2.75343817166 7.13085232509 1 14.7456722210 -5.13162497330 5.26853072316 6 9.06040892940 -0.201291984067 -2.46474864871 8 8.91665151407 -2.36805020959 -3.16600142043 8 7.43567148504 1.60759380764 -3.21024508761 6 5.40076218187 0.941573563734 -4.96333502457 1 6.16223386958 -0.282504725278 -6.40561520272 1 4.83637016269 2.72590185916 -5.76743153053 6 3.22465398359 -0.335499112468 -3.56255615145 1 3.88723544293 -2.11837323163 -2.80741591652 1 1.74866488564 -0.745640292260 -4.92795366683 6 2.15777787507 1.32856537299 -1.43129092786 1 3.66996182072 1.79605579868 -0.134672107749 1 1.47023890202 3.09083857609 -2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 -1.74919959851 0.839514279590 1 -1.54647644809 -0.446140232212 -1.26996230476 1 -0.727968804225 1.19296015340 1.49826125964 ------------------------------------------------ 6 17.9683881599 0.297292077107 -1.27536857331 6 13.1074956167 -0.472207080671 0.453228519305 6 16.4795229986 2.34875635930 -0.647864180363 6 17.0206311288 -2.13415723988 -1.11906109396 6 14.5917090576 -2.50997045525 -0.254800853982 6 14.0483817764 1.95969349025 0.221879028027 1 17.2064313178 4.21995575715 -0.891477750401 1 18.1611556206 -3.69459587591 -1.71498801728 1 13.7960455627 -4.36328224970 -0.132995603972 1 12.9022737548 3.57153468866 0.648336550217 16 21.0720806852 0.788022958085 -2.30216806175 8 21.7468110653 -1.31897174983 -3.85840867623 8 21.2227851157 3.34246112332 -3.18367143395 7 22.7709964146 0.611425397042 0.210357613229 1 23.2419454469 2.18327885030 1.14424461781 1 23.6155189330 -1.01555484106 0.663326749229 6 10.4913649952 -1.09295624704 1.36656090135 8 9.63574908684 -3.22390935997 1.10529668512 7 9.16801166064 0.764206510305 2.50274977654 1 9.93546118641 2.44582902745 2.82792804056 6 6.57752127994 0.303665749238 3.38789268707 1 6.51903031968 -1.54105374663 4.26306789461 1 6.14310735722 1.71711069845 4.80129056636 6 4.64548715274 0.408008321980 1.22155256882 1 4.74877437287 2.24262500055 0.310278321539 1 5.15722580814 -1.01799017637 -0.154647286614 6 1.93810690142 -7.135985398158E-02 2.17182509407 1 1.44127945712 1.34174421826 3.57579700736 1 1.85954730813 -1.90266503311 3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 1.83021062745 -0.923376785869 1 -1.89573167271 -0.347838378411 0.695134146311 1 0.441627040364 -1.42860412068 -1.40142839635 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide ------------------------------------------------ 6 14.6470472295 -7.927582673955E-02 1.80388763872 6 11.0622537716 3.27640760804 3.297672786334E-02 6 14.7369160592 2.43215177975 2.53444551673 6 12.8070002392 -0.912058450381 0.154696461770 6 11.0072899085 0.769206969645 -0.713259671910 6 12.9364096564 4.10752092444 1.65236698309 1 16.2316861745 3.05537583528 3.74640500018 1 12.7765418719 -2.82982636485 -0.488648395220 1 13.0085282876 6.05136023195 2.20986983423 1 9.65703039613 4.54278939690 -0.674485001885 16 16.8933356488 -2.20308237715 2.96282720847 8 17.1654544206 -4.16922825102 1.12553453199 8 18.9940820965 -0.731414937095 3.82882717480 7 15.6175472951 -3.46311887774 5.41587468911 1 15.9629473681 -2.75343817166 7.13085232509 1 14.7456722210 -5.13162497330 5.26853072316 6 9.06040892940 -0.201291984067 -2.46474864871 8 8.91665151407 -2.36805020959 -3.16600142043 8 7.43567148504 1.60759380764 -3.21024508761 6 5.40076218187 0.941573563734 -4.96333502457 1 6.16223386958 -0.282504725278 -6.40561520272 1 4.83637016269 2.72590185916 -5.76743153053 6 3.22465398359 -0.335499112468 -3.56255615145 1 3.88723544293 -2.11837323163 -2.80741591652 1 1.74866488564 -0.745640292260 -4.92795366683 6 2.15777787507 1.32856537299 -1.43129092786 1 3.66996182072 1.79605579868 -0.134672107749 1 1.47023890202 3.09083857609 -2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 -1.74919959851 0.839514279590 1 -1.54647644809 -0.446140232212 -1.26996230476 1 -0.727968804225 1.19296015340 1.49826125964 ------------------------------------------------ 6 20.7991290262 -0.173784562617 0.967430943750 6 15.8208872142 0.493809018334 -0.438608973922 6 19.3262977014 -2.25396162951 0.398797961368 6 19.7814511456 2.23370706654 0.914828584962 6 17.2935652430 2.55864272562 0.212496983470 6 16.8360353316 -1.91574159282 -0.309779724471 1 20.1142731917 -4.10895290340 0.564237775091 1 20.9173363920 3.81385503923 1.46592508350 1 16.4442776257 4.39176179105 0.176203941180 1 15.7049640512 -3.54969525139 -0.689919799457 16 23.9730508168 -0.598035781202 1.78812191880 8 24.6931739735 1.50517256805 3.32907555178 8 24.2435498230 -3.15901002899 2.62060021432 7 25.5033852023 -0.345442345150 -0.824002123731 1 25.9537944258 -1.89269407830 -1.80776047178 1 26.2758209659 1.30859530159 -1.30662787836 6 13.1364605614 1.05636550436 -1.17304363784 8 12.2342106329 3.15067883783 -0.798066467619 7 11.8045299533 -0.811050923403 -2.28280920599 1 12.6074301426 -2.45211797021 -2.71333127911 6 9.14976160456 -0.415244685406 -2.99139374910 1 8.97576642824 1.45199356268 -3.80070440505 1 8.67465458601 -1.79959917137 -4.42036175613 6 7.36177114450 -0.653459671476 -0.714423221458 1 7.91441927685 0.744818521689 0.674421622847 1 7.58140029875 -2.51170351436 0.125580462120 6 4.58736232398 -0.234912622601 -1.48206692652 1 4.39235199539 1.62338779407 -2.33305194788 1 4.04706318167 -1.61793167812 -2.90215796291 6 2.76982943896 -0.437731877559 0.782841872202 1 3.30844365759 0.941827465806 2.20173367200 1 2.95663454185 -2.29447008586 1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 1.86570407362 -0.817672243790 1 -1.25343256978 -0.149457481471 1.61416779080 1 -0.583961285311 -1.38598079582 -1.39357136739 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide ------------------------------------------------ 6 14.6470472295 -7.927582673955E-02 1.80388763872 6 11.0622537716 3.27640760804 3.297672786334E-02 6 14.7369160592 2.43215177975 2.53444551673 6 12.8070002392 -0.912058450381 0.154696461770 6 11.0072899085 0.769206969645 -0.713259671910 6 12.9364096564 4.10752092444 1.65236698309 1 16.2316861745 3.05537583528 3.74640500018 1 12.7765418719 -2.82982636485 -0.488648395220 1 13.0085282876 6.05136023195 2.20986983423 1 9.65703039613 4.54278939690 -0.674485001885 16 16.8933356488 -2.20308237715 2.96282720847 8 17.1654544206 -4.16922825102 1.12553453199 8 18.9940820965 -0.731414937095 3.82882717480 7 15.6175472951 -3.46311887774 5.41587468911 1 15.9629473681 -2.75343817166 7.13085232509 1 14.7456722210 -5.13162497330 5.26853072316 6 9.06040892940 -0.201291984067 -2.46474864871 8 8.91665151407 -2.36805020959 -3.16600142043 8 7.43567148504 1.60759380764 -3.21024508761 6 5.40076218187 0.941573563734 -4.96333502457 1 6.16223386958 -0.282504725278 -6.40561520272 1 4.83637016269 2.72590185916 -5.76743153053 6 3.22465398359 -0.335499112468 -3.56255615145 1 3.88723544293 -2.11837323163 -2.80741591652 1 1.74866488564 -0.745640292260 -4.92795366683 6 2.15777787507 1.32856537299 -1.43129092786 1 3.66996182072 1.79605579868 -0.134672107749 1 1.47023890202 3.09083857609 -2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 -1.74919959851 0.839514279590 1 -1.54647644809 -0.446140232212 -1.26996230476 1 -0.727968804225 1.19296015340 1.49826125964 ------------------------------------------------ 6 22.5771469666 -1.15315062242 1.33850011954 6 17.8425169573 0.576156120662 -2.234632623383E-03 6 21.1633719312 -2.48100690435 -0.409962720559 6 21.6107089723 0.989908679563 2.48228696960 6 19.2440933876 1.84630992232 1.80831765324 6 18.7957098516 -1.60947522179 -1.08290543351 1 21.8946454585 -4.19945910018 -1.18536236676 1 22.6855831307 1.93339152381 3.91236744583 1 18.4339240240 3.48182972505 2.67523222275 1 17.7008464917 -2.68987866802 -2.39737300535 16 25.6065323789 -2.21318301591 2.12963917739 8 26.1459122384 -1.31654885736 4.62396311682 8 25.7256214254 -4.83779591130 1.48007485887 7 27.4751893457 -0.743706108843 0.237803865057 1 28.0301701289 -1.56579060238 -1.36866835464 1 28.3270991466 0.844667304544 0.800499116961 6 15.2894950371 1.66650661716 -0.597501874580 8 14.3687896107 3.29889550467 0.754640571509 7 14.1000853631 0.805668522375 -2.68023465397 1 14.9377893462 -0.404137958512 -3.84561620167 6 11.5717591707 1.74173503480 -3.34228248627 1 11.5333026393 3.75907383560 -3.02446283844 1 11.2783293185 1.38337013554 -5.33468474421 6 9.48677589010 0.474256852886 -1.76614598946 1 9.86157341390 0.860340863107 0.208498546579 1 9.56627349941 -1.55562313317 -2.04857411438 6 6.84855323045 1.47113086062 -2.48064608058 1 6.79648913596 3.50501120231 -2.20511689137 1 6.49229173351 1.11341496630 -4.47217285833 6 4.73751179529 0.241051054790 -0.898179482966 1 5.09253015610 0.596968801207 1.09184063865 1 4.78211518922 -1.79347499883 -1.17152183930 6 2.09502690272 1.24324747214 -1.59513297750 1 2.05024617966 3.27578983933 -1.31947880152 1 1.74096952081 0.890659058047 -3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 -2.03079721447 -0.281447018883 1 -1.84622701379 0.726603423243 -0.512706719913 1 0.300397382099 0.366813160548 1.99443311341 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide ------------------------------------------------ 6 14.6470472295 -7.927582673955E-02 1.80388763872 6 11.0622537716 3.27640760804 3.297672786334E-02 6 14.7369160592 2.43215177975 2.53444551673 6 12.8070002392 -0.912058450381 0.154696461770 6 11.0072899085 0.769206969645 -0.713259671910 6 12.9364096564 4.10752092444 1.65236698309 1 16.2316861745 3.05537583528 3.74640500018 1 12.7765418719 -2.82982636485 -0.488648395220 1 13.0085282876 6.05136023195 2.20986983423 1 9.65703039613 4.54278939690 -0.674485001885 16 16.8933356488 -2.20308237715 2.96282720847 8 17.1654544206 -4.16922825102 1.12553453199 8 18.9940820965 -0.731414937095 3.82882717480 7 15.6175472951 -3.46311887774 5.41587468911 1 15.9629473681 -2.75343817166 7.13085232509 1 14.7456722210 -5.13162497330 5.26853072316 6 9.06040892940 -0.201291984067 -2.46474864871 8 8.91665151407 -2.36805020959 -3.16600142043 8 7.43567148504 1.60759380764 -3.21024508761 6 5.40076218187 0.941573563734 -4.96333502457 1 6.16223386958 -0.282504725278 -6.40561520272 1 4.83637016269 2.72590185916 -5.76743153053 6 3.22465398359 -0.335499112468 -3.56255615145 1 3.88723544293 -2.11837323163 -2.80741591652 1 1.74866488564 -0.745640292260 -4.92795366683 6 2.15777787507 1.32856537299 -1.43129092786 1 3.66996182072 1.79605579868 -0.134672107749 1 1.47023890202 3.09083857609 -2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 -1.74919959851 0.839514279590 1 -1.54647644809 -0.446140232212 -1.26996230476 1 -0.727968804225 1.19296015340 1.49826125964 ------------------------------------------------ 6 25.3713425036 1.29078949634 -0.355162756323 6 20.4999091352 -0.573560077356 -0.364133120434 6 23.9743069632 1.31357807398 1.85095938988 6 24.3252994282 0.415369237348 -2.58530943683 6 21.8910263201 -0.513406735149 -2.58161342663 6 21.5377263326 0.374782138985 1.84407022859 1 24.7750487130 2.10650345747 3.53005203392 1 25.3946688774 0.512004923803 -4.29936626465 1 21.0202154713 -1.18149772339 -4.27815360199 1 20.4612990421 0.457447519092 3.55525533127 16 28.4826686810 2.40691226463 -0.326907266351 8 29.0575208275 3.24882881774 -2.83235788148 8 28.7292616886 4.02045594705 1.83191149933 7 30.1958247445 -4.659798221744E-02 0.196814783951 1 30.7416402004 -0.458650792246 1.95662063897 1 30.9742895925 -0.978036517171 -1.24950605113 6 17.8685695062 -1.62069402182 -0.569037022625 8 16.9121337151 -1.98640308405 -2.64084945189 7 16.6475838091 -2.16728923214 1.59968433242 1 17.5026399508 -2.00396757565 3.26264024246 6 14.0471178299 -3.13731508438 1.54317890412 1 13.9081475080 -4.50575166986 3.317958501066E-02 1 13.6971642834 -4.08287469466 3.32301791741 6 12.0992929940 -1.02487542427 1.11703967027 1 12.5281848996 -0.117796579141 -0.666940159516 1 12.2815924673 0.373262443907 2.60660342009 6 9.38368726187 -2.06734240350 1.06370511801 1 9.22904530181 -3.47641655650 -0.421514153709 1 8.97012908132 -3.00584669183 2.84391203155 6 7.40761134032 2.081885259197E-02 0.604515659145 1 7.82188979387 0.959523171789 -1.17316216804 1 7.55506462234 1.43154567156 2.08911482546 6 4.68976064388 -1.01856155618 0.532987082800 1 4.54337076001 -2.42907817719 -0.951893386632 1 4.27548433984 -1.96002534321 2.31043907566 6 2.70945778986 1.06451077238 7.050369403612E-02 1 2.85286386444 2.47488702954 1.55389920638 1 3.12196207310 2.00541446888 -1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 -0.913671943654 1.77644025194 1 -0.190421763470 -1.38528862659 -1.49931725663 1 -1.36920746468 1.48906274881 -0.327953965063 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide ------------------------------------------------ 6 14.6470472295 -7.927582673955E-02 1.80388763872 6 11.0622537716 3.27640760804 3.297672786334E-02 6 14.7369160592 2.43215177975 2.53444551673 6 12.8070002392 -0.912058450381 0.154696461770 6 11.0072899085 0.769206969645 -0.713259671910 6 12.9364096564 4.10752092444 1.65236698309 1 16.2316861745 3.05537583528 3.74640500018 1 12.7765418719 -2.82982636485 -0.488648395220 1 13.0085282876 6.05136023195 2.20986983423 1 9.65703039613 4.54278939690 -0.674485001885 16 16.8933356488 -2.20308237715 2.96282720847 8 17.1654544206 -4.16922825102 1.12553453199 8 18.9940820965 -0.731414937095 3.82882717480 7 15.6175472951 -3.46311887774 5.41587468911 1 15.9629473681 -2.75343817166 7.13085232509 1 14.7456722210 -5.13162497330 5.26853072316 6 9.06040892940 -0.201291984067 -2.46474864871 8 8.91665151407 -2.36805020959 -3.16600142043 8 7.43567148504 1.60759380764 -3.21024508761 6 5.40076218187 0.941573563734 -4.96333502457 1 6.16223386958 -0.282504725278 -6.40561520272 1 4.83637016269 2.72590185916 -5.76743153053 6 3.22465398359 -0.335499112468 -3.56255615145 1 3.88723544293 -2.11837323163 -2.80741591652 1 1.74866488564 -0.745640292260 -4.92795366683 6 2.15777787507 1.32856537299 -1.43129092786 1 3.66996182072 1.79605579868 -0.134672107749 1 1.47023890202 3.09083857609 -2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 -1.74919959851 0.839514279590 1 -1.54647644809 -0.446140232212 -1.26996230476 1 -0.727968804225 1.19296015340 1.49826125964 ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide ------------------------------------------------ 6 14.6470472295 -7.927582673955E-02 1.80388763872 6 11.0622537716 3.27640760804 3.297672786334E-02 6 14.7369160592 2.43215177975 2.53444551673 6 12.8070002392 -0.912058450381 0.154696461770 6 11.0072899085 0.769206969645 -0.713259671910 6 12.9364096564 4.10752092444 1.65236698309 1 16.2316861745 3.05537583528 3.74640500018 1 12.7765418719 -2.82982636485 -0.488648395220 1 13.0085282876 6.05136023195 2.20986983423 1 9.65703039613 4.54278939690 -0.674485001885 16 16.8933356488 -2.20308237715 2.96282720847 8 17.1654544206 -4.16922825102 1.12553453199 8 18.9940820965 -0.731414937095 3.82882717480 7 15.6175472951 -3.46311887774 5.41587468911 1 15.9629473681 -2.75343817166 7.13085232509 1 14.7456722210 -5.13162497330 5.26853072316 6 9.06040892940 -0.201291984067 -2.46474864871 8 8.91665151407 -2.36805020959 -3.16600142043 8 7.43567148504 1.60759380764 -3.21024508761 6 5.40076218187 0.941573563734 -4.96333502457 1 6.16223386958 -0.282504725278 -6.40561520272 1 4.83637016269 2.72590185916 -5.76743153053 6 3.22465398359 -0.335499112468 -3.56255615145 1 3.88723544293 -2.11837323163 -2.80741591652 1 1.74866488564 -0.745640292260 -4.92795366683 6 2.15777787507 1.32856537299 -1.43129092786 1 3.66996182072 1.79605579868 -0.134672107749 1 1.47023890202 3.09083857609 -2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 -1.74919959851 0.839514279590 1 -1.54647644809 -0.446140232212 -1.26996230476 1 -0.727968804225 1.19296015340 1.49826125964 ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide ------------------------------------------------ 6 14.6470472295 -7.927582673955E-02 1.80388763872 6 11.0622537716 3.27640760804 3.297672786334E-02 6 14.7369160592 2.43215177975 2.53444551673 6 12.8070002392 -0.912058450381 0.154696461770 6 11.0072899085 0.769206969645 -0.713259671910 6 12.9364096564 4.10752092444 1.65236698309 1 16.2316861745 3.05537583528 3.74640500018 1 12.7765418719 -2.82982636485 -0.488648395220 1 13.0085282876 6.05136023195 2.20986983423 1 9.65703039613 4.54278939690 -0.674485001885 16 16.8933356488 -2.20308237715 2.96282720847 8 17.1654544206 -4.16922825102 1.12553453199 8 18.9940820965 -0.731414937095 3.82882717480 7 15.6175472951 -3.46311887774 5.41587468911 1 15.9629473681 -2.75343817166 7.13085232509 1 14.7456722210 -5.13162497330 5.26853072316 6 9.06040892940 -0.201291984067 -2.46474864871 8 8.91665151407 -2.36805020959 -3.16600142043 8 7.43567148504 1.60759380764 -3.21024508761 6 5.40076218187 0.941573563734 -4.96333502457 1 6.16223386958 -0.282504725278 -6.40561520272 1 4.83637016269 2.72590185916 -5.76743153053 6 3.22465398359 -0.335499112468 -3.56255615145 1 3.88723544293 -2.11837323163 -2.80741591652 1 1.74866488564 -0.745640292260 -4.92795366683 6 2.15777787507 1.32856537299 -1.43129092786 1 3.66996182072 1.79605579868 -0.134672107749 1 1.47023890202 3.09083857609 -2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 -1.74919959851 0.839514279590 1 -1.54647644809 -0.446140232212 -1.26996230476 1 -0.727968804225 1.19296015340 1.49826125964 ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ 6 5.04401540573 5.065785560124E-17 -8.565768416162E-02 6 9.27990108396 9.396277336371E-17 2.94283641892 6 6.11045552513 2.27247789332 0.644730598780 6 6.11045552513 -2.27247789332 0.644730598780 6 8.22908048709 -2.26870089799 2.17155776959 6 8.22908048709 2.26870089799 2.17155776959 1 5.30807717985 4.00751998316 -1.696942951703E-02 1 5.30807717985 -4.00751998316 -1.696942951703E-02 1 9.06580730279 -4.02284755065 2.73828333892 1 9.06580730279 4.02284755065 2.73828333892 1 10.9268739609 1.108006638944E-16 4.12165702328 16 2.32566022845 2.288454205577E-17 -1.95862643609 8 2.24799399215 -2.36940193927 -3.26556451771 8 2.24799399215 2.36940193927 -3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 1.62837329388 0.493096431600 1 -0.817594738155 -1.62837329388 0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ 6 8.11007909745 8.556435899195E-18 0.100897097935 6 2.86329951331 2.922536611154E-18 7.349736953064E-02 6 6.80777063774 2.26567639154 0.121232299609 6 6.80777063774 -2.26567639154 0.121232299609 6 4.19897121896 -2.25839811190 9.895828809266E-02 6 4.19897121896 2.25839811190 9.895828809266E-02 1 7.83682406515 4.00573551491 0.201208431763 1 7.83682406515 -4.00573551491 0.201208431763 1 3.19435364603 -4.01778780932 0.125815986880 1 3.19435364603 4.01778780932 0.125815986880 16 11.4059109298 1.222287901647E-17 6.903234852523E-02 8 12.2226557176 -2.36966347735 1.09351831769 8 12.2226557176 2.36966347735 1.09351831769 7 12.1903871090 2.070990068685E-17 -2.87084462677 1 12.5792272181 1.62848573258 -3.74230825804 1 12.5792272181 -1.62848573258 -3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 4.336273740756E-18 -1.94437378897 1 -0.758564487207 -1.65923610975 0.927043031519 1 -0.758564487207 1.65923610975 0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ 6 9.49515614095 1.986230634504E-17 0.330909318726 6 4.54766506655 -1.418482302241E-17 -1.41449070261 6 8.25938767444 2.26624765571 -7.914581718090E-02 6 8.25938767444 -2.26624765571 -7.914581718090E-02 6 5.80247435955 -2.25843288285 -0.956589914867 6 5.80247435955 2.25843288285 -0.956589914867 1 9.20891937494 4.00630432243 0.325801090800 1 9.20891937494 -4.00630432243 0.325801090800 1 4.84800788582 -4.01788928760 -1.27432519389 1 4.84800788582 4.01788928760 -1.27432519389 16 12.6215076530 4.047871219384E-17 1.37421975164 8 13.0597966465 -2.36964987132 2.60912294465 8 13.0597966465 2.36964987132 2.60912294465 7 14.3219760733 5.129921083899E-18 -1.14895839935 1 14.9723537348 1.62851785792 -1.84712919698 1 14.9723537348 -1.62851785792 -1.84712919698 6 1.82011448549 -3.162508651201E-17 -2.28845439361 1 1.46450096442 -1.65231782291 -3.44535547264 1 1.46450096442 1.65231782291 -3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 -1.65855864299 1.15861699465 1 0.312880607522 1.65855864299 1.15861699465 1 -1.95068478995 -1.250653597013E-17 -0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ 6 12.3462848294 -8.276065163872E-20 -0.219629035968 6 7.27697590475 1.666425406161E-18 1.13352461031 6 11.0821729337 -2.26629036351 9.228879249722E-02 6 11.0821729337 2.26629036351 9.228879249722E-02 6 8.56408820998 2.25853587292 0.774654122839 6 8.56408820998 -2.25853587292 0.774654122839 1 12.0604999845 -4.00629846428 -0.237334526856 1 12.0604999845 4.00629846428 -0.237334526856 1 7.58747623906 4.01782409206 1.01660875510 1 7.58747623906 -4.01782409206 1.01660875510 16 15.5446672699 -1.106855929460E-18 -1.01482146618 8 16.0785895276 2.36961755701 -2.21160547802 8 16.0785895276 -2.36961755701 -2.21160547802 7 17.0423265084 2.516184840979E-18 1.63372129060 1 17.6356158799 -1.62852220429 2.38095755132 1 17.6356158799 1.62852220429 2.38095755132 6 4.48973225005 2.504801715792E-18 1.78668016231 1 4.03784923022 1.65364233185 2.91036104922 1 4.03784923022 -1.65364233185 2.91036104922 6 2.84178543494 -8.061817684800E-19 -0.630150435706 1 3.30689183592 1.64977444070 -1.75284818480 1 3.30689183592 -1.64977444070 -1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 1.66081705451 1.09295879416 1 -1.12447528227 -2.345093436379E-18 -1.71233470070 1 -0.500643208584 -1.66081705451 1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ 6 14.1238159113 1.214503673567E-17 -0.678437661017 6 9.44100667607 7.329180195868E-17 1.68836769331 6 12.9508759688 -2.26624992338 -0.112955994743 6 12.9508759688 2.26624992338 -0.112955994743 6 10.6269754875 2.25848844080 1.07270695836 6 10.6269754875 -2.25848844080 1.07270695836 1 13.8404298349 -4.00630337757 -0.636723693997 1 13.8404298349 4.00630337757 -0.636723693997 1 9.72086351835 4.01774604637 1.51016368205 1 9.72086351835 -4.01774604637 1.51016368205 16 17.0896510524 -2.469474469544E-17 -2.11542048055 8 17.3657436482 2.36962001365 -3.39654871916 8 17.3657436482 -2.36962001365 -3.39654871916 7 19.1011870389 4.944166890890E-17 0.167534197609 1 19.8356986120 -1.62853921182 0.776447021723 1 19.8356986120 1.62853921182 0.776447021723 6 6.84711615725 1.041405701228E-16 2.90008400935 1 6.63682781461 -1.65387609096 4.09248466188 1 6.63682781461 1.65387609096 4.09248466188 6 4.74105840551 3.748430357849E-17 0.870168924938 1 4.96583213621 -1.65095665328 -0.325145161310 1 4.96583213621 1.65095665328 -0.325145161310 6 2.07671001580 6.693452376398E-17 2.04129882743 1 1.86017810411 -1.65244972578 3.23844110052 1 1.86017810411 1.65244972578 3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 -1.66008648645 -1.19157111842 1 -1.86482588637 2.150045959666E-17 0.848869041688 1 0.161115980412 1.66008648645 -1.19157111842 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide --> 6-*- 6 (6)4-Am-Benzenesulfonamide ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ 6 16.9068057473 0.243177970445 -1.059325119563E-16 6 12.0155875324 -1.65600530852 -7.874007219591E-16 6 15.7028346951 -0.252939874960 -2.26622819153 6 15.7028346951 -0.252939874960 2.26622819153 6 13.2672687790 -1.18799231963 2.25851621977 6 13.2672687790 -1.18799231963 -2.25851621977 1 16.6905927723 4.935959543974E-02 -4.00587781127 1 16.6905927723 4.935959543974E-02 4.00587781127 1 12.3418929399 -1.58361797677 4.01758126227 1 12.3418929399 -1.58361797677 -4.01758126227 16 19.9613139677 1.48061075670 3.396565444380E-16 8 21.0975033451 0.827628604396 2.36965497358 8 21.0975033451 0.827628604396 -2.36965497358 7 19.6140817394 4.50363661503 1.520890767875E-15 1 19.6563448244 5.45686048237 -1.62850009449 1 19.6563448244 5.45686048237 1.62850009449 6 9.31463490683 -2.60509907624 -1.124910972962E-15 1 8.98767928251 -3.77103356608 -1.65353820795 1 8.98767928251 -3.77103356608 1.65353820795 6 7.41754404250 -0.378508099205 -2.354035425308E-16 1 7.75886683358 0.788097380015 -1.65185162751 1 7.75886683358 0.788097380015 1.65185162751 6 4.65268631611 -1.28701345345 -5.563510498846E-16 1 4.32004736793 -2.45842354097 -1.65339251008 1 4.32004736793 -2.45842354097 1.65339251008 6 2.76072678768 0.925807775628 3.277337893163E-16 1 3.09073708924 2.09665994535 -1.65204135600 1 3.09073708924 2.09665994535 1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 -1.14184653845 -1.66034613480 1 -1.30590878374 1.57901648689 6.303379891292E-16 1 -0.377248445559 -1.14184653845 1.66034613480 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ 6 12.0127056291 0.467319191248 -0.111806432972 6 6.97352093600 -0.759917308701 -4.748266917407E-02 6 10.2217532895 2.37079219426 -0.152809003460 6 11.3033419938 -2.04980757052 -9.307700569057E-02 6 8.76972951282 -2.66113662451 -5.092383423729E-02 6 7.68607351310 1.75397861179 -0.112223563757 1 10.8183018721 4.29997421278 -0.259688127616 1 12.7207799808 -3.49060386186 -0.155267676093 1 8.15790328645 -4.58878364063 -3.776105769249E-02 1 6.26630294078 3.18887845369 -0.146456888627 16 15.2263520177 1.25494370756 -8.406950718910E-02 8 16.5763713396 -0.857729096636 -1.09992283794 8 15.4471228542 3.74394477194 -1.12115495093 7 15.9595091226 1.44681230628 2.85648386684 1 15.9368640683 3.12142107712 3.72820018659 1 16.7225609771 -3.868535428217E-02 3.73740008869 6 4.28110783217 -1.51706821998 -4.380793909740E-03 8 3.53735775286 -3.67127241182 4.627237069106E-02 8 2.70645115658 0.479140449071 -2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 -1.08656629775 -1.64022531142 1 -0.866069129495 1.83937203385 -2.906081667564E-02 1 -0.516390062658 -1.02531407580 1.68530034526 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ 6 9.25649635012 1.80846527957 9.292601243073E-02 6 4.49653007628 -0.252386364964 5.563329730033E-02 6 8.97661510100 -0.790299344150 0.119114341606 6 7.17209172246 3.38798511785 0.102169685012 6 4.78224687467 2.34735739516 7.329320901833E-02 6 6.58177520099 -1.82758693433 9.237860791359E-02 1 10.6170947155 -1.96958871556 0.204027651419 1 7.43391914542 5.39176377246 0.175377186833 1 3.13114524169 3.51529832560 8.157662744579E-02 1 6.31465409765 -3.82860234946 0.115984151186 16 12.2941652834 3.11903583590 4.829871274683E-02 8 12.1064542125 5.60990047425 1.08680327140 8 13.9812398042 1.25851015147 1.05437846650 7 12.9682120575 3.43319864541 -2.89600901229 1 13.9516579638 2.09107340260 -3.78830088073 1 12.6725674087 5.08557002470 -3.76041888038 6 1.89086902464 -1.27466774715 2.847109335790E-02 8 1.83775228380 -3.81438709360 3.668617006514E-02 6 -0.611334772331 -5.09553939230 2.759474634627E-02 1 -1.67193584771 -4.49484752416 1.66284241111 1 -1.63290597596 -4.54650767572 -1.65033477868 6 -2.628882640013E-02 -7.90958602311 7.826139859268E-02 1 1.04055063371 -8.37091267308 1.76016592182 1 1.08118978950 -8.42305482102 -1.56183569609 1 -1.76381943467 -8.99262746496 7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ 6 16.2691799750 -0.861123974289 0.131186883282 6 11.5121945621 1.20427204035 2.028457912686E-02 6 14.1804039648 -2.43212467262 0.170027955664 6 15.9979271981 1.73975638478 9.085209513991E-02 6 13.6053532164 2.77244247494 2.499575182470E-02 6 11.7868447762 -1.39343219905 0.106330752902 1 14.4397111888 -4.43379554927 0.293347888880 1 17.6391790059 2.91927288464 0.155077522013 1 13.3297352136 4.77580185192 -5.280276989638E-03 1 10.1431555114 -2.56525744119 0.138937307621 16 19.3020004227 -2.18348775204 0.134299477251 8 20.9842079738 -0.325733494236 1.15270139607 8 19.0886880558 -4.66812122535 1.18366001761 7 20.0154046741 -2.51391842666 -2.79896253743 1 19.7140075146 -4.16469009410 -3.66423830225 1 21.0264342221 -1.18451012097 -3.67951649332 6 8.98524438142 2.40710164988 -4.683800638368E-02 8 8.62404088094 4.65762117820 -0.119145313158 8 7.09521260910 0.710056286046 -2.027193485411E-02 6 4.48588899364 1.61442012240 -6.043557639931E-02 1 4.18402977757 2.83160191470 1.54997335048 1 4.18851510037 2.69852442655 -1.76429702456 6 2.81774658260 -0.727728392362 3.131445935321E-02 1 3.26511634385 -1.91346199534 -1.57535965464 1 3.26258594609 -1.78075553052 1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 -1.67378352623 6.601676572586E-02 1 -0.468128283684 1.03824231167 -1.70442814436 1 -0.470300494955 1.17038221894 1.61582801791 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ 6 17.9684279399 -1.54301176377 0.149693423226 6 13.6326730870 1.30132688262 2.138183749743E-02 6 15.6426740929 -2.73563073422 0.189786012449 6 18.1438750705 1.06604052147 9.962044033802E-02 6 15.9621451629 2.49057033907 2.523220981312E-02 6 13.4610204855 -1.30509459913 0.117287370756 1 15.5573431966 -4.75166639252 0.321088296824 1 19.9617870444 1.94922244854 0.163264253275 1 16.0314585342 4.51140907128 -1.239461845501E-02 1 11.6418341179 -2.17978662007 0.150641401029 16 20.7317846783 -3.36204210634 0.163987391502 8 22.7051478607 -1.81249173186 1.17548489088 8 20.0987699462 -5.76903704384 1.22508771415 7 21.3801516200 -3.82469400623 -2.76690153273 1 20.8048852121 -5.40607792939 -3.62309870587 1 22.6005200302 -2.68935847433 -3.65393602741 6 11.3472294671 2.91626214998 -5.651370344789E-02 8 9.19665552725 1.56522590120 -3.245613991045E-02 6 6.77856962350 2.90016097853 -8.749655544515E-02 1 6.67652246165 4.14495637472 1.52674105702 1 6.68550306343 4.02593032336 -1.78755983989 6 4.73704841955 0.874096953142 -1.969560988444E-02 1 4.98065500262 -0.246176556333 1.67702200013 1 4.98893864106 -0.366141886882 -1.62964287548 8 11.3745245833 5.19521098803 -0.135688264964 6 2.07271853085 2.04310727132 -6.880948422220E-02 1 1.85408721205 3.17805095775 -1.76397604453 1 1.84594669663 3.29720682002 1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 -1.24962477650 -1.61609500694 1 -1.86381093455 0.848750824383 -3.507941596838E-02 1 0.158113135931 -1.12952769314 1.70286806009 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide --> 11-*- 11 (11)4-COOAm-benzenesulfonamide ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ 6 20.7940103927 1.18292577645 -0.135748344237 6 16.2553748543 -1.32561650568 -1.898358840442E-02 6 18.5653398548 2.54782901355 -0.185991958815 6 20.7714899222 -1.43194635192 -8.119491494154E-02 6 18.4881809521 -2.68752983337 -1.268047644927E-02 6 16.2816292072 1.28621992460 -0.119293218161 1 18.6330826801 4.56430368467 -0.320494210942 1 22.5176825572 -2.45010794741 -0.136961916771 1 18.4044365481 -4.70774521966 2.810073710092E-02 1 14.5338256999 2.29576106594 -0.160475355254 16 23.6871881374 2.78742501086 -0.142668366748 8 25.5411157417 1.09148804236 -1.14525598407 8 23.2417958312 5.23383132605 -1.20898679380 7 24.3589360690 3.20370291968 2.78991772878 1 23.9091509095 4.82809819444 3.64057141352 1 25.4806790933 1.97605258766 3.68426382740 6 13.8540126043 -2.76296861394 5.303453877654E-02 8 11.8120703378 -1.25321399795 2.008307004224E-02 6 9.29901118039 -2.40045989565 6.905102121977E-02 1 9.10783205313 -3.63690786172 -1.54345602431 1 9.11551718001 -3.51245649883 1.77073227684 6 7.41759711942 -0.225163913710 -8.381954772778E-03 1 7.75164296187 0.869303738938 -1.70652575015 1 7.75918159098 0.994644284689 1.60061304784 8 13.7086109469 -5.03734953143 0.135183415616 6 4.67345055952 -1.19177646373 3.443655708758E-02 1 4.36347393069 -2.30467041402 1.73186035831 1 4.35593551642 -2.42824308851 -1.57363269202 6 2.73979046465 0.982603093803 -4.252073111888E-02 1 3.05064854136 2.21942573316 1.56427419659 1 3.04356406783 2.09606747732 -1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 -1.08637600396 1.70287631133 1 -0.357289139629 -1.20966193729 -1.61602453331 1 -1.33734281519 1.55130517970 -5.488380719168E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ 6 22.6680723895 -1.90654821224 0.175233423843 6 18.4884955220 1.16205594440 2.429127256041E-02 6 20.2830274345 -2.97597725977 0.173664688758 6 22.9799650421 0.690079737778 0.155208703405 6 20.8766221032 2.22748679265 6.903817015508E-02 6 18.1799381157 -1.43239889865 8.995095951044E-02 1 20.0909835172 -4.98607533718 0.281845826277 1 24.8405388049 1.47638787062 0.250726882769 1 21.0517072441 4.24227251958 5.371272626672E-02 1 16.3172055949 -2.21104024810 9.170563306660E-02 16 25.3324936821 -3.86769909134 0.204282249485 8 27.3689282330 -2.43608131514 1.26337330774 8 24.5588648910 -6.25073611663 1.22544756910 7 25.9991456410 -4.32704671165 -2.72259774632 1 25.3514763748 -5.86285263510 -3.60932921947 1 27.2925393220 -3.24838521296 -3.57606690334 6 16.2916230451 2.89540499983 -6.179565244721E-02 8 14.0727663740 1.65964926922 -7.242285012777E-02 6 11.7286122162 3.12131087053 -0.129207796905 1 11.6916371367 4.36862899705 1.48585984781 1 11.6980732731 4.25127283221 -1.82879684924 6 9.58109439663 1.20776499556 -6.511610601119E-02 1 9.76756866224 7.139861485579E-02 1.62808855633 1 9.76377736159 -3.875539761361E-02 -1.67952200771 8 16.4397777482 5.17051756224 -0.117582340473 6 6.98540215161 2.52323506137 -0.105275847922 1 6.82580399210 3.67429399210 -1.79800400123 1 6.83170567671 3.78372128405 1.50810456154 6 4.78702881724 0.616612023999 -3.768403587990E-02 1 4.93145580826 -0.642205670084 -1.65293843334 1 4.94358499840 -0.538158692436 1.65236070615 6 2.18592326697 1.92237034783 -6.880796847135E-02 1 2.02940000857 3.07742276656 -1.75724206468 1 2.04230086267 3.18049871305 1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 -1.24972460005 -1.62283624211 1 -1.81555813970 0.949604486281 -2.171294654113E-02 1 0.101559387270 -1.14661307089 1.69643499199 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ 6 12.2734251286 0.428907088210 -3.130417300445E-02 6 7.16512558575 -0.605433656762 -0.183825719733 6 10.5713708299 2.37495748345 -0.399070980710 6 11.4474717344 -2.04279012262 0.176766780326 6 8.89344536670 -2.55194533980 9.586430260886E-02 6 8.01368059796 1.85426065145 -0.469957115655 1 11.2546633574 4.25736622768 -0.680203900338 1 12.7976479862 -3.53900012680 0.347716707934 1 8.19737481149 -4.44495294702 0.221953717805 1 6.71862383287 3.36899815646 -0.820375895056 16 15.5058925312 1.09988548484 0.139878058083 8 16.8322621021 -1.12838754297 -0.629587328980 8 15.8847585470 3.49504260894 -1.06180455980 7 16.0744500874 1.48770706952 3.09912365385 1 16.0632182407 3.22273094432 3.84357473139 1 16.7466970697 5.130502478586E-02 4.12393032748 6 4.42868586731 -1.35626047301 -0.252477484269 8 3.82938195486 -3.56208325758 -0.576406362775 7 2.71818896568 0.506140006335 9.280093005674E-02 1 3.27509805498 2.22468116302 0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 -1.90115557994 -0.684101664629 1 -0.922458262213 1.31460329988 -1.26745769935 1 -0.840700153890 0.156106480461 1.86072422508 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ 6 13.4991057155 -0.357473590767 0.713811663238 6 8.48076024177 0.503164540210 -0.416629781928 6 11.8631397624 -2.37874757162 0.473562136431 6 12.6300343135 2.09621222127 0.471550344568 6 10.1214739007 2.51780523488 -9.207153793854E-02 6 9.35258280198 -1.94453974915 -9.759660250163E-02 1 12.5459565012 -4.25659611519 0.784414249864 1 13.8986334476 3.64265027953 0.771481617840 1 9.38607236031 4.39164092392 -0.267910179188 1 8.09763925784 -3.52677510687 -0.221740185849 16 16.6935460046 -0.912646421298 1.35805736093 8 17.6544840841 1.28364835574 2.61076734769 8 16.8676643394 -3.38662077444 2.44146121239 7 18.0366372567 -1.03700758771 -1.36404066179 1 18.3163089429 -2.70480564337 -2.20359468998 1 18.8696549651 0.501492704799 -2.07432409737 6 5.78952802473 1.16981982693 -1.02631101775 8 5.04502030288 3.34753860849 -0.814795268017 7 4.26922563055 -0.704156458501 -1.84300557024 1 4.93783248921 -2.42933031646 -2.15895801923 6 1.59945609057 -0.196996634022 -2.41475962510 1 1.48860461593 1.55437999117 -3.45794673312 1 0.926691554047 -1.71487444573 -3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 -1.73213272312 1.08507996536 1 -1.96325947579 0.346439546764 -0.473696207925 1 0.684941159121 1.55321650721 1.13775889828 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ 6 16.3895792015 0.240489114104 -0.536193806704 6 11.2920888992 -0.451096170868 0.326090712247 6 14.8194157858 2.31710236513 -0.332180772567 6 15.4194231089 -2.18266311147 -0.390199489610 6 12.8721086867 -2.51961306172 4.014493484245E-02 6 12.2689440408 1.96736827272 0.104588496551 1 15.5860110543 4.17358955286 -0.566758904214 1 16.6431929451 -3.77015985899 -0.660657202547 1 12.0602052934 -4.36724803133 0.139997105688 1 11.0701659350 3.59425419512 0.203144347206 16 19.6304263353 0.686794962887 -1.01096050120 8 20.5702877543 -1.51578267698 -2.26860480338 8 19.9498684877 3.17604514588 -2.02400342944 7 20.8410111234 0.697292062619 1.77517976903 1 21.1380020961 2.33317949807 2.66979007743 1 21.5834993494 -0.887153761337 2.48491793384 6 8.55072081282 -1.02933075625 0.787372576289 8 7.74481307558 -3.17762575485 0.511396947249 7 7.05397038251 0.888627903207 1.54546896295 1 7.76234008752 2.58922394741 1.90477240945 6 4.34412151772 0.471267660613 1.97617977221 1 4.11567022133 -1.31564616149 2.93907082096 1 3.66918162500 1.96785234101 3.19655760703 6 2.83322401463 0.431124044979 -0.504279368481 1 3.11335731365 2.20436047481 -1.49304292078 1 3.57440415444 -1.07510116992 -1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 1.49697720468 1.17000519138 1 -0.298267921192 -1.78626047228 0.960482973300 1 -1.05317079190 -4.110766263255E-02 -1.75580559418 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ 6 17.9683881599 0.297292077107 -1.27536857331 6 13.1074956167 -0.472207080671 0.453228519305 6 16.4795229986 2.34875635930 -0.647864180363 6 17.0206311288 -2.13415723988 -1.11906109396 6 14.5917090576 -2.50997045525 -0.254800853982 6 14.0483817764 1.95969349025 0.221879028027 1 17.2064313178 4.21995575715 -0.891477750401 1 18.1611556206 -3.69459587591 -1.71498801728 1 13.7960455627 -4.36328224970 -0.132995603972 1 12.9022737548 3.57153468866 0.648336550217 16 21.0720806852 0.788022958085 -2.30216806175 8 21.7468110653 -1.31897174983 -3.85840867623 8 21.2227851157 3.34246112332 -3.18367143395 7 22.7709964146 0.611425397042 0.210357613229 1 23.2419454469 2.18327885030 1.14424461781 1 23.6155189330 -1.01555484106 0.663326749229 6 10.4913649952 -1.09295624704 1.36656090135 8 9.63574908684 -3.22390935997 1.10529668512 7 9.16801166064 0.764206510305 2.50274977654 1 9.93546118641 2.44582902745 2.82792804056 6 6.57752127994 0.303665749238 3.38789268707 1 6.51903031968 -1.54105374663 4.26306789461 1 6.14310735722 1.71711069845 4.80129056636 6 4.64548715274 0.408008321980 1.22155256882 1 4.74877437287 2.24262500055 0.310278321539 1 5.15722580814 -1.01799017637 -0.154647286614 6 1.93810690142 -7.135985398158E-02 2.17182509407 1 1.44127945712 1.34174421826 3.57579700736 1 1.85954730813 -1.90266503311 3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 1.83021062745 -0.923376785869 1 -1.89573167271 -0.347838378411 0.695134146311 1 0.441627040364 -1.42860412068 -1.40142839635 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ 6 20.7991290262 -0.173784562617 0.967430943750 6 15.8208872142 0.493809018334 -0.438608973922 6 19.3262977014 -2.25396162951 0.398797961368 6 19.7814511456 2.23370706654 0.914828584962 6 17.2935652430 2.55864272562 0.212496983470 6 16.8360353316 -1.91574159282 -0.309779724471 1 20.1142731917 -4.10895290340 0.564237775091 1 20.9173363920 3.81385503923 1.46592508350 1 16.4442776257 4.39176179105 0.176203941180 1 15.7049640512 -3.54969525139 -0.689919799457 16 23.9730508168 -0.598035781202 1.78812191880 8 24.6931739735 1.50517256805 3.32907555178 8 24.2435498230 -3.15901002899 2.62060021432 7 25.5033852023 -0.345442345150 -0.824002123731 1 25.9537944258 -1.89269407830 -1.80776047178 1 26.2758209659 1.30859530159 -1.30662787836 6 13.1364605614 1.05636550436 -1.17304363784 8 12.2342106329 3.15067883783 -0.798066467619 7 11.8045299533 -0.811050923403 -2.28280920599 1 12.6074301426 -2.45211797021 -2.71333127911 6 9.14976160456 -0.415244685406 -2.99139374910 1 8.97576642824 1.45199356268 -3.80070440505 1 8.67465458601 -1.79959917137 -4.42036175613 6 7.36177114450 -0.653459671476 -0.714423221458 1 7.91441927685 0.744818521689 0.674421622847 1 7.58140029875 -2.51170351436 0.125580462120 6 4.58736232398 -0.234912622601 -1.48206692652 1 4.39235199539 1.62338779407 -2.33305194788 1 4.04706318167 -1.61793167812 -2.90215796291 6 2.76982943896 -0.437731877559 0.782841872202 1 3.30844365759 0.941827465806 2.20173367200 1 2.95663454185 -2.29447008586 1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 1.86570407362 -0.817672243790 1 -1.25343256978 -0.149457481471 1.61416779080 1 -0.583961285311 -1.38598079582 -1.39357136739 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ 6 22.5771469666 -1.15315062242 1.33850011954 6 17.8425169573 0.576156120662 -2.234632623383E-03 6 21.1633719312 -2.48100690435 -0.409962720559 6 21.6107089723 0.989908679563 2.48228696960 6 19.2440933876 1.84630992232 1.80831765324 6 18.7957098516 -1.60947522179 -1.08290543351 1 21.8946454585 -4.19945910018 -1.18536236676 1 22.6855831307 1.93339152381 3.91236744583 1 18.4339240240 3.48182972505 2.67523222275 1 17.7008464917 -2.68987866802 -2.39737300535 16 25.6065323789 -2.21318301591 2.12963917739 8 26.1459122384 -1.31654885736 4.62396311682 8 25.7256214254 -4.83779591130 1.48007485887 7 27.4751893457 -0.743706108843 0.237803865057 1 28.0301701289 -1.56579060238 -1.36866835464 1 28.3270991466 0.844667304544 0.800499116961 6 15.2894950371 1.66650661716 -0.597501874580 8 14.3687896107 3.29889550467 0.754640571509 7 14.1000853631 0.805668522375 -2.68023465397 1 14.9377893462 -0.404137958512 -3.84561620167 6 11.5717591707 1.74173503480 -3.34228248627 1 11.5333026393 3.75907383560 -3.02446283844 1 11.2783293185 1.38337013554 -5.33468474421 6 9.48677589010 0.474256852886 -1.76614598946 1 9.86157341390 0.860340863107 0.208498546579 1 9.56627349941 -1.55562313317 -2.04857411438 6 6.84855323045 1.47113086062 -2.48064608058 1 6.79648913596 3.50501120231 -2.20511689137 1 6.49229173351 1.11341496630 -4.47217285833 6 4.73751179529 0.241051054790 -0.898179482966 1 5.09253015610 0.596968801207 1.09184063865 1 4.78211518922 -1.79347499883 -1.17152183930 6 2.09502690272 1.24324747214 -1.59513297750 1 2.05024617966 3.27578983933 -1.31947880152 1 1.74096952081 0.890659058047 -3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 -2.03079721447 -0.281447018883 1 -1.84622701379 0.726603423243 -0.512706719913 1 0.300397382099 0.366813160548 1.99443311341 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ 6 25.3713425036 1.29078949634 -0.355162756323 6 20.4999091352 -0.573560077356 -0.364133120434 6 23.9743069632 1.31357807398 1.85095938988 6 24.3252994282 0.415369237348 -2.58530943683 6 21.8910263201 -0.513406735149 -2.58161342663 6 21.5377263326 0.374782138985 1.84407022859 1 24.7750487130 2.10650345747 3.53005203392 1 25.3946688774 0.512004923803 -4.29936626465 1 21.0202154713 -1.18149772339 -4.27815360199 1 20.4612990421 0.457447519092 3.55525533127 16 28.4826686810 2.40691226463 -0.326907266351 8 29.0575208275 3.24882881774 -2.83235788148 8 28.7292616886 4.02045594705 1.83191149933 7 30.1958247445 -4.659798221744E-02 0.196814783951 1 30.7416402004 -0.458650792246 1.95662063897 1 30.9742895925 -0.978036517171 -1.24950605113 6 17.8685695062 -1.62069402182 -0.569037022625 8 16.9121337151 -1.98640308405 -2.64084945189 7 16.6475838091 -2.16728923214 1.59968433242 1 17.5026399508 -2.00396757565 3.26264024246 6 14.0471178299 -3.13731508438 1.54317890412 1 13.9081475080 -4.50575166986 3.317958501066E-02 1 13.6971642834 -4.08287469466 3.32301791741 6 12.0992929940 -1.02487542427 1.11703967027 1 12.5281848996 -0.117796579141 -0.666940159516 1 12.2815924673 0.373262443907 2.60660342009 6 9.38368726187 -2.06734240350 1.06370511801 1 9.22904530181 -3.47641655650 -0.421514153709 1 8.97012908132 -3.00584669183 2.84391203155 6 7.40761134032 2.081885259197E-02 0.604515659145 1 7.82188979387 0.959523171789 -1.17316216804 1 7.55506462234 1.43154567156 2.08911482546 6 4.68976064388 -1.01856155618 0.532987082800 1 4.54337076001 -2.42907817719 -0.951893386632 1 4.27548433984 -1.96002534321 2.31043907566 6 2.70945778986 1.06451077238 7.050369403612E-02 1 2.85286386444 2.47488702954 1.55389920638 1 3.12196207310 2.00541446888 -1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 -0.913671943654 1.77644025194 1 -0.190421763470 -1.38528862659 -1.49931725663 1 -1.36920746468 1.48906274881 -0.327953965063 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ 6 12.8890154116 -0.705277880383 -1.14720179930 6 8.63769836124 -3.13049528123 0.667661770817 6 12.7319518701 -3.31575026979 -1.24953250550 6 10.9569225116 0.695766556321 -9.751807067616E-02 6 8.82613167454 -0.523894116806 0.792591324657 6 10.5992603324 -4.52600049228 -0.347345586450 1 14.2899506016 -4.37073958544 -1.99215015759 1 11.1015200706 2.70670044967 6.927699906552E-02 1 10.4790321405 -6.54467146322 -0.418442390861 1 6.97610510274 -4.03068091841 1.38023898390 16 15.5627490576 0.822518029860 -2.33749544115 8 15.8229282919 3.15406888960 -0.991452102556 8 17.5437523161 -1.02001916354 -2.43592096346 7 14.8684985712 1.53647032143 -5.20844295944 1 15.3767252852 0.386655890843 -6.61698140507 1 14.2248344825 3.26408243787 -5.61723200204 6 6.79347179930 1.04660415182 1.88860309653 8 6.85484558388 3.32298080002 2.03527859933 8 4.83213012733 -0.343458562873 2.71902399181 6 2.67074070889 0.942294741451 3.87107068777 1 3.36885866078 2.40278957263 5.11116789488 1 1.73854892126 -0.517937139307 4.94237350117 6 0.939722951498 2.04419227640 1.84067995763 1 1.95933960265 3.50453225416 0.835936877146 1 -0.651647293680 2.92949001440 2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 -0.926345928488 -0.897351059817 1 -1.18541346184 0.819158338947 -1.45510065788 1 -1.09455253252 -1.42063673159 0.994146730604 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ 6 14.6470472295 7.927582673955E-02 -1.80388763872 6 11.0622537716 -3.27640760804 -3.297672786334E-02 6 14.7369160592 -2.43215177975 -2.53444551673 6 12.8070002392 0.912058450381 -0.154696461770 6 11.0072899085 -0.769206969645 0.713259671910 6 12.9364096564 -4.10752092444 -1.65236698309 1 16.2316861745 -3.05537583528 -3.74640500018 1 12.7765418719 2.82982636485 0.488648395220 1 13.0085282876 -6.05136023195 -2.20986983423 1 9.65703039613 -4.54278939690 0.674485001885 16 16.8933356488 2.20308237715 -2.96282720847 8 17.1654544206 4.16922825102 -1.12553453199 8 18.9940820965 0.731414937095 -3.82882717480 7 15.6175472951 3.46311887774 -5.41587468911 1 15.9629473681 2.75343817166 -7.13085232509 1 14.7456722210 5.13162497330 -5.26853072316 6 9.06040892940 0.201291984067 2.46474864871 8 8.91665151407 2.36805020959 3.16600142043 8 7.43567148504 -1.60759380764 3.21024508761 6 5.40076218187 -0.941573563734 4.96333502457 1 6.16223386958 0.282504725278 6.40561520272 1 4.83637016269 -2.72590185916 5.76743153053 6 3.22465398359 0.335499112468 3.56255615145 1 3.88723544293 2.11837323163 2.80741591652 1 1.74866488564 0.745640292260 4.92795366683 6 2.15777787507 -1.32856537299 1.43129092786 1 3.66996182072 -1.79605579868 0.134672107749 1 1.47023890202 -3.09083857609 2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 1.74919959851 -0.839514279590 1 -1.54647644809 0.446140232212 1.26996230476 1 -0.727968804225 -1.19296015340 -1.49826125964 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 25-*- 25 (25)2-COOMe-benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ 6 5.04401540573 -5.065785560124E-17 8.565768416162E-02 6 9.27990108396 -9.396277336371E-17 -2.94283641892 6 6.11045552513 -2.27247789332 -0.644730598780 6 6.11045552513 2.27247789332 -0.644730598780 6 8.22908048709 2.26870089799 -2.17155776959 6 8.22908048709 -2.26870089799 -2.17155776959 1 5.30807717985 -4.00751998316 1.696942951703E-02 1 5.30807717985 4.00751998316 1.696942951703E-02 1 9.06580730279 4.02284755065 -2.73828333892 1 9.06580730279 -4.02284755065 -2.73828333892 1 10.9268739609 -1.108006638944E-16 -4.12165702328 16 2.32566022845 -2.288454205577E-17 1.95862643609 8 2.24799399215 2.36940193927 3.26556451771 8 2.24799399215 -2.36940193927 3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 -1.62837329388 -0.493096431600 1 -0.817594738155 1.62837329388 -0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 25-*- 25 (25)2-COOMe-benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ 6 8.11007909745 -8.556435899195E-18 -0.100897097935 6 2.86329951331 -2.922536611154E-18 -7.349736953064E-02 6 6.80777063774 -2.26567639154 -0.121232299609 6 6.80777063774 2.26567639154 -0.121232299609 6 4.19897121896 2.25839811190 -9.895828809266E-02 6 4.19897121896 -2.25839811190 -9.895828809266E-02 1 7.83682406515 -4.00573551491 -0.201208431763 1 7.83682406515 4.00573551491 -0.201208431763 1 3.19435364603 4.01778780932 -0.125815986880 1 3.19435364603 -4.01778780932 -0.125815986880 16 11.4059109298 -1.222287901647E-17 -6.903234852523E-02 8 12.2226557176 2.36966347735 -1.09351831769 8 12.2226557176 -2.36966347735 -1.09351831769 7 12.1903871090 -2.070990068685E-17 2.87084462677 1 12.5792272181 -1.62848573258 3.74230825804 1 12.5792272181 1.62848573258 3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 -4.336273740756E-18 1.94437378897 1 -0.758564487207 1.65923610975 -0.927043031519 1 -0.758564487207 -1.65923610975 -0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 25-*- 25 (25)2-COOMe-benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ 6 9.49515614095 1.986230634504E-17 0.330909318726 6 4.54766506655 -1.418482302241E-17 -1.41449070261 6 8.25938767444 2.26624765571 -7.914581718090E-02 6 8.25938767444 -2.26624765571 -7.914581718090E-02 6 5.80247435955 -2.25843288285 -0.956589914867 6 5.80247435955 2.25843288285 -0.956589914867 1 9.20891937494 4.00630432243 0.325801090800 1 9.20891937494 -4.00630432243 0.325801090800 1 4.84800788582 -4.01788928760 -1.27432519389 1 4.84800788582 4.01788928760 -1.27432519389 16 12.6215076530 4.047871219384E-17 1.37421975164 8 13.0597966465 -2.36964987132 2.60912294465 8 13.0597966465 2.36964987132 2.60912294465 7 14.3219760733 5.129921083899E-18 -1.14895839935 1 14.9723537348 1.62851785792 -1.84712919698 1 14.9723537348 -1.62851785792 -1.84712919698 6 1.82011448549 -3.162508651201E-17 -2.28845439361 1 1.46450096442 -1.65231782291 -3.44535547264 1 1.46450096442 1.65231782291 -3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 -1.65855864299 1.15861699465 1 0.312880607522 1.65855864299 1.15861699465 1 -1.95068478995 -1.250653597013E-17 -0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 25-*- 25 (25)2-COOMe-benzenesulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ 6 12.3462848294 -8.276065163872E-20 -0.219629035968 6 7.27697590475 1.666425406161E-18 1.13352461031 6 11.0821729337 -2.26629036351 9.228879249722E-02 6 11.0821729337 2.26629036351 9.228879249722E-02 6 8.56408820998 2.25853587292 0.774654122839 6 8.56408820998 -2.25853587292 0.774654122839 1 12.0604999845 -4.00629846428 -0.237334526856 1 12.0604999845 4.00629846428 -0.237334526856 1 7.58747623906 4.01782409206 1.01660875510 1 7.58747623906 -4.01782409206 1.01660875510 16 15.5446672699 -1.106855929460E-18 -1.01482146618 8 16.0785895276 2.36961755701 -2.21160547802 8 16.0785895276 -2.36961755701 -2.21160547802 7 17.0423265084 2.516184840979E-18 1.63372129060 1 17.6356158799 -1.62852220429 2.38095755132 1 17.6356158799 1.62852220429 2.38095755132 6 4.48973225005 2.504801715792E-18 1.78668016231 1 4.03784923022 1.65364233185 2.91036104922 1 4.03784923022 -1.65364233185 2.91036104922 6 2.84178543494 -8.061817684800E-19 -0.630150435706 1 3.30689183592 1.64977444070 -1.75284818480 1 3.30689183592 -1.64977444070 -1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 1.66081705451 1.09295879416 1 -1.12447528227 -2.345093436379E-18 -1.71233470070 1 -0.500643208584 -1.66081705451 1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 25-*- 25 (25)2-COOMe-benzenesulfonamide --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ 6 14.1238159113 1.214503673567E-17 -0.678437661017 6 9.44100667607 7.329180195868E-17 1.68836769331 6 12.9508759688 -2.26624992338 -0.112955994743 6 12.9508759688 2.26624992338 -0.112955994743 6 10.6269754875 2.25848844080 1.07270695836 6 10.6269754875 -2.25848844080 1.07270695836 1 13.8404298349 -4.00630337757 -0.636723693997 1 13.8404298349 4.00630337757 -0.636723693997 1 9.72086351835 4.01774604637 1.51016368205 1 9.72086351835 -4.01774604637 1.51016368205 16 17.0896510524 -2.469474469544E-17 -2.11542048055 8 17.3657436482 2.36962001365 -3.39654871916 8 17.3657436482 -2.36962001365 -3.39654871916 7 19.1011870389 4.944166890890E-17 0.167534197609 1 19.8356986120 -1.62853921182 0.776447021723 1 19.8356986120 1.62853921182 0.776447021723 6 6.84711615725 1.041405701228E-16 2.90008400935 1 6.63682781461 -1.65387609096 4.09248466188 1 6.63682781461 1.65387609096 4.09248466188 6 4.74105840551 3.748430357849E-17 0.870168924938 1 4.96583213621 -1.65095665328 -0.325145161310 1 4.96583213621 1.65095665328 -0.325145161310 6 2.07671001580 6.693452376398E-17 2.04129882743 1 1.86017810411 -1.65244972578 3.23844110052 1 1.86017810411 1.65244972578 3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 -1.66008648645 -1.19157111842 1 -1.86482588637 2.150045959666E-17 0.848869041688 1 0.161115980412 1.66008648645 -1.19157111842 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 25-*- 25 (25)2-COOMe-benzenesulfonamide --> 6-*- 6 (6)4-Am-Benzenesulfonamide ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ 6 16.9068057473 -0.243177970445 1.059325119563E-16 6 12.0155875324 1.65600530852 7.874007219591E-16 6 15.7028346951 0.252939874960 2.26622819153 6 15.7028346951 0.252939874960 -2.26622819153 6 13.2672687790 1.18799231963 -2.25851621977 6 13.2672687790 1.18799231963 2.25851621977 1 16.6905927723 -4.935959543974E-02 4.00587781127 1 16.6905927723 -4.935959543974E-02 -4.00587781127 1 12.3418929399 1.58361797677 -4.01758126227 1 12.3418929399 1.58361797677 4.01758126227 16 19.9613139677 -1.48061075670 -3.396565444380E-16 8 21.0975033451 -0.827628604396 -2.36965497358 8 21.0975033451 -0.827628604396 2.36965497358 7 19.6140817394 -4.50363661503 -1.520890767875E-15 1 19.6563448244 -5.45686048237 1.62850009449 1 19.6563448244 -5.45686048237 -1.62850009449 6 9.31463490683 2.60509907624 1.124910972962E-15 1 8.98767928251 3.77103356608 1.65353820795 1 8.98767928251 3.77103356608 -1.65353820795 6 7.41754404250 0.378508099205 2.354035425308E-16 1 7.75886683358 -0.788097380015 1.65185162751 1 7.75886683358 -0.788097380015 -1.65185162751 6 4.65268631611 1.28701345345 5.563510498846E-16 1 4.32004736793 2.45842354097 1.65339251008 1 4.32004736793 2.45842354097 -1.65339251008 6 2.76072678768 -0.925807775628 -3.277337893163E-16 1 3.09073708924 -2.09665994535 1.65204135600 1 3.09073708924 -2.09665994535 -1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 1.14184653845 1.66034613480 1 -1.30590878374 -1.57901648689 -6.303379891292E-16 1 -0.377248445559 1.14184653845 -1.66034613480 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 25-*- 25 (25)2-COOMe-benzenesulfonamide --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ 6 12.0127056291 0.467319191248 -0.111806432972 6 6.97352093600 -0.759917308701 -4.748266917407E-02 6 10.2217532895 2.37079219426 -0.152809003460 6 11.3033419938 -2.04980757052 -9.307700569057E-02 6 8.76972951282 -2.66113662451 -5.092383423729E-02 6 7.68607351310 1.75397861179 -0.112223563757 1 10.8183018721 4.29997421278 -0.259688127616 1 12.7207799808 -3.49060386186 -0.155267676093 1 8.15790328645 -4.58878364063 -3.776105769249E-02 1 6.26630294078 3.18887845369 -0.146456888627 16 15.2263520177 1.25494370756 -8.406950718910E-02 8 16.5763713396 -0.857729096636 -1.09992283794 8 15.4471228542 3.74394477194 -1.12115495093 7 15.9595091226 1.44681230628 2.85648386684 1 15.9368640683 3.12142107712 3.72820018659 1 16.7225609771 -3.868535428217E-02 3.73740008869 6 4.28110783217 -1.51706821998 -4.380793909740E-03 8 3.53735775286 -3.67127241182 4.627237069106E-02 8 2.70645115658 0.479140449071 -2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 -1.08656629775 -1.64022531142 1 -0.866069129495 1.83937203385 -2.906081667564E-02 1 -0.516390062658 -1.02531407580 1.68530034526 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 25-*- 25 (25)2-COOMe-benzenesulfonamide --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ 6 9.25649635012 -1.80846527957 -9.292601243073E-02 6 4.49653007628 0.252386364964 -5.563329730033E-02 6 8.97661510100 0.790299344150 -0.119114341606 6 7.17209172246 -3.38798511785 -0.102169685012 6 4.78224687467 -2.34735739516 -7.329320901833E-02 6 6.58177520099 1.82758693433 -9.237860791359E-02 1 10.6170947155 1.96958871556 -0.204027651419 1 7.43391914542 -5.39176377246 -0.175377186833 1 3.13114524169 -3.51529832560 -8.157662744579E-02 1 6.31465409765 3.82860234946 -0.115984151186 16 12.2941652834 -3.11903583590 -4.829871274683E-02 8 12.1064542125 -5.60990047425 -1.08680327140 8 13.9812398042 -1.25851015147 -1.05437846650 7 12.9682120575 -3.43319864541 2.89600901229 1 13.9516579638 -2.09107340260 3.78830088073 1 12.6725674087 -5.08557002470 3.76041888038 6 1.89086902464 1.27466774715 -2.847109335790E-02 8 1.83775228380 3.81438709360 -3.668617006514E-02 6 -0.611334772331 5.09553939230 -2.759474634627E-02 1 -1.67193584771 4.49484752416 -1.66284241111 1 -1.63290597596 4.54650767572 1.65033477868 6 -2.628882640013E-02 7.90958602311 -7.826139859268E-02 1 1.04055063371 8.37091267308 -1.76016592182 1 1.08118978950 8.42305482102 1.56183569609 1 -1.76381943467 8.99262746496 -7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 25-*- 25 (25)2-COOMe-benzenesulfonamide --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ 6 16.2691799750 -0.861123974289 0.131186883282 6 11.5121945621 1.20427204035 2.028457912686E-02 6 14.1804039648 -2.43212467262 0.170027955664 6 15.9979271981 1.73975638478 9.085209513991E-02 6 13.6053532164 2.77244247494 2.499575182470E-02 6 11.7868447762 -1.39343219905 0.106330752902 1 14.4397111888 -4.43379554927 0.293347888880 1 17.6391790059 2.91927288464 0.155077522013 1 13.3297352136 4.77580185192 -5.280276989638E-03 1 10.1431555114 -2.56525744119 0.138937307621 16 19.3020004227 -2.18348775204 0.134299477251 8 20.9842079738 -0.325733494236 1.15270139607 8 19.0886880558 -4.66812122535 1.18366001761 7 20.0154046741 -2.51391842666 -2.79896253743 1 19.7140075146 -4.16469009410 -3.66423830225 1 21.0264342221 -1.18451012097 -3.67951649332 6 8.98524438142 2.40710164988 -4.683800638368E-02 8 8.62404088094 4.65762117820 -0.119145313158 8 7.09521260910 0.710056286046 -2.027193485411E-02 6 4.48588899364 1.61442012240 -6.043557639931E-02 1 4.18402977757 2.83160191470 1.54997335048 1 4.18851510037 2.69852442655 -1.76429702456 6 2.81774658260 -0.727728392362 3.131445935321E-02 1 3.26511634385 -1.91346199534 -1.57535965464 1 3.26258594609 -1.78075553052 1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 -1.67378352623 6.601676572586E-02 1 -0.468128283684 1.03824231167 -1.70442814436 1 -0.470300494955 1.17038221894 1.61582801791 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 25-*- 25 (25)2-COOMe-benzenesulfonamide --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ 6 17.9684279399 -1.54301176377 0.149693423226 6 13.6326730870 1.30132688262 2.138183749743E-02 6 15.6426740929 -2.73563073422 0.189786012449 6 18.1438750705 1.06604052147 9.962044033802E-02 6 15.9621451629 2.49057033907 2.523220981312E-02 6 13.4610204855 -1.30509459913 0.117287370756 1 15.5573431966 -4.75166639252 0.321088296824 1 19.9617870444 1.94922244854 0.163264253275 1 16.0314585342 4.51140907128 -1.239461845501E-02 1 11.6418341179 -2.17978662007 0.150641401029 16 20.7317846783 -3.36204210634 0.163987391502 8 22.7051478607 -1.81249173186 1.17548489088 8 20.0987699462 -5.76903704384 1.22508771415 7 21.3801516200 -3.82469400623 -2.76690153273 1 20.8048852121 -5.40607792939 -3.62309870587 1 22.6005200302 -2.68935847433 -3.65393602741 6 11.3472294671 2.91626214998 -5.651370344789E-02 8 9.19665552725 1.56522590120 -3.245613991045E-02 6 6.77856962350 2.90016097853 -8.749655544515E-02 1 6.67652246165 4.14495637472 1.52674105702 1 6.68550306343 4.02593032336 -1.78755983989 6 4.73704841955 0.874096953142 -1.969560988444E-02 1 4.98065500262 -0.246176556333 1.67702200013 1 4.98893864106 -0.366141886882 -1.62964287548 8 11.3745245833 5.19521098803 -0.135688264964 6 2.07271853085 2.04310727132 -6.880948422220E-02 1 1.85408721205 3.17805095775 -1.76397604453 1 1.84594669663 3.29720682002 1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 -1.24962477650 -1.61609500694 1 -1.86381093455 0.848750824383 -3.507941596838E-02 1 0.158113135931 -1.12952769314 1.70286806009 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 25-*- 25 (25)2-COOMe-benzenesulfonamide --> 11-*- 11 (11)4-COOAm-benzenesulfonamide ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ 6 20.7940103927 1.18292577645 -0.135748344237 6 16.2553748543 -1.32561650568 -1.898358840442E-02 6 18.5653398548 2.54782901355 -0.185991958815 6 20.7714899222 -1.43194635192 -8.119491494154E-02 6 18.4881809521 -2.68752983337 -1.268047644927E-02 6 16.2816292072 1.28621992460 -0.119293218161 1 18.6330826801 4.56430368467 -0.320494210942 1 22.5176825572 -2.45010794741 -0.136961916771 1 18.4044365481 -4.70774521966 2.810073710092E-02 1 14.5338256999 2.29576106594 -0.160475355254 16 23.6871881374 2.78742501086 -0.142668366748 8 25.5411157417 1.09148804236 -1.14525598407 8 23.2417958312 5.23383132605 -1.20898679380 7 24.3589360690 3.20370291968 2.78991772878 1 23.9091509095 4.82809819444 3.64057141352 1 25.4806790933 1.97605258766 3.68426382740 6 13.8540126043 -2.76296861394 5.303453877654E-02 8 11.8120703378 -1.25321399795 2.008307004224E-02 6 9.29901118039 -2.40045989565 6.905102121977E-02 1 9.10783205313 -3.63690786172 -1.54345602431 1 9.11551718001 -3.51245649883 1.77073227684 6 7.41759711942 -0.225163913710 -8.381954772778E-03 1 7.75164296187 0.869303738938 -1.70652575015 1 7.75918159098 0.994644284689 1.60061304784 8 13.7086109469 -5.03734953143 0.135183415616 6 4.67345055952 -1.19177646373 3.443655708758E-02 1 4.36347393069 -2.30467041402 1.73186035831 1 4.35593551642 -2.42824308851 -1.57363269202 6 2.73979046465 0.982603093803 -4.252073111888E-02 1 3.05064854136 2.21942573316 1.56427419659 1 3.04356406783 2.09606747732 -1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 -1.08637600396 1.70287631133 1 -0.357289139629 -1.20966193729 -1.61602453331 1 -1.33734281519 1.55130517970 -5.488380719168E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 25-*- 25 (25)2-COOMe-benzenesulfonamide --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ 6 22.6680723895 -1.90654821224 0.175233423843 6 18.4884955220 1.16205594440 2.429127256041E-02 6 20.2830274345 -2.97597725977 0.173664688758 6 22.9799650421 0.690079737778 0.155208703405 6 20.8766221032 2.22748679265 6.903817015508E-02 6 18.1799381157 -1.43239889865 8.995095951044E-02 1 20.0909835172 -4.98607533718 0.281845826277 1 24.8405388049 1.47638787062 0.250726882769 1 21.0517072441 4.24227251958 5.371272626672E-02 1 16.3172055949 -2.21104024810 9.170563306660E-02 16 25.3324936821 -3.86769909134 0.204282249485 8 27.3689282330 -2.43608131514 1.26337330774 8 24.5588648910 -6.25073611663 1.22544756910 7 25.9991456410 -4.32704671165 -2.72259774632 1 25.3514763748 -5.86285263510 -3.60932921947 1 27.2925393220 -3.24838521296 -3.57606690334 6 16.2916230451 2.89540499983 -6.179565244721E-02 8 14.0727663740 1.65964926922 -7.242285012777E-02 6 11.7286122162 3.12131087053 -0.129207796905 1 11.6916371367 4.36862899705 1.48585984781 1 11.6980732731 4.25127283221 -1.82879684924 6 9.58109439663 1.20776499556 -6.511610601119E-02 1 9.76756866224 7.139861485579E-02 1.62808855633 1 9.76377736159 -3.875539761361E-02 -1.67952200771 8 16.4397777482 5.17051756224 -0.117582340473 6 6.98540215161 2.52323506137 -0.105275847922 1 6.82580399210 3.67429399210 -1.79800400123 1 6.83170567671 3.78372128405 1.50810456154 6 4.78702881724 0.616612023999 -3.768403587990E-02 1 4.93145580826 -0.642205670084 -1.65293843334 1 4.94358499840 -0.538158692436 1.65236070615 6 2.18592326697 1.92237034783 -6.880796847135E-02 1 2.02940000857 3.07742276656 -1.75724206468 1 2.04230086267 3.18049871305 1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 -1.24972460005 -1.62283624211 1 -1.81555813970 0.949604486281 -2.171294654113E-02 1 0.101559387270 -1.14661307089 1.69643499199 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 25-*- 25 (25)2-COOMe-benzenesulfonamide --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ 6 12.2734251286 0.428907088210 -3.130417300445E-02 6 7.16512558575 -0.605433656762 -0.183825719733 6 10.5713708299 2.37495748345 -0.399070980710 6 11.4474717344 -2.04279012262 0.176766780326 6 8.89344536670 -2.55194533980 9.586430260886E-02 6 8.01368059796 1.85426065145 -0.469957115655 1 11.2546633574 4.25736622768 -0.680203900338 1 12.7976479862 -3.53900012680 0.347716707934 1 8.19737481149 -4.44495294702 0.221953717805 1 6.71862383287 3.36899815646 -0.820375895056 16 15.5058925312 1.09988548484 0.139878058083 8 16.8322621021 -1.12838754297 -0.629587328980 8 15.8847585470 3.49504260894 -1.06180455980 7 16.0744500874 1.48770706952 3.09912365385 1 16.0632182407 3.22273094432 3.84357473139 1 16.7466970697 5.130502478586E-02 4.12393032748 6 4.42868586731 -1.35626047301 -0.252477484269 8 3.82938195486 -3.56208325758 -0.576406362775 7 2.71818896568 0.506140006335 9.280093005674E-02 1 3.27509805498 2.22468116302 0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 -1.90115557994 -0.684101664629 1 -0.922458262213 1.31460329988 -1.26745769935 1 -0.840700153890 0.156106480461 1.86072422508 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 25-*- 25 (25)2-COOMe-benzenesulfonamide --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ 6 13.4991057155 -0.357473590767 0.713811663238 6 8.48076024177 0.503164540210 -0.416629781928 6 11.8631397624 -2.37874757162 0.473562136431 6 12.6300343135 2.09621222127 0.471550344568 6 10.1214739007 2.51780523488 -9.207153793854E-02 6 9.35258280198 -1.94453974915 -9.759660250163E-02 1 12.5459565012 -4.25659611519 0.784414249864 1 13.8986334476 3.64265027953 0.771481617840 1 9.38607236031 4.39164092392 -0.267910179188 1 8.09763925784 -3.52677510687 -0.221740185849 16 16.6935460046 -0.912646421298 1.35805736093 8 17.6544840841 1.28364835574 2.61076734769 8 16.8676643394 -3.38662077444 2.44146121239 7 18.0366372567 -1.03700758771 -1.36404066179 1 18.3163089429 -2.70480564337 -2.20359468998 1 18.8696549651 0.501492704799 -2.07432409737 6 5.78952802473 1.16981982693 -1.02631101775 8 5.04502030288 3.34753860849 -0.814795268017 7 4.26922563055 -0.704156458501 -1.84300557024 1 4.93783248921 -2.42933031646 -2.15895801923 6 1.59945609057 -0.196996634022 -2.41475962510 1 1.48860461593 1.55437999117 -3.45794673312 1 0.926691554047 -1.71487444573 -3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 -1.73213272312 1.08507996536 1 -1.96325947579 0.346439546764 -0.473696207925 1 0.684941159121 1.55321650721 1.13775889828 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 25-*- 25 (25)2-COOMe-benzenesulfonamide --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ 6 16.3895792015 0.240489114104 -0.536193806704 6 11.2920888992 -0.451096170868 0.326090712247 6 14.8194157858 2.31710236513 -0.332180772567 6 15.4194231089 -2.18266311147 -0.390199489610 6 12.8721086867 -2.51961306172 4.014493484245E-02 6 12.2689440408 1.96736827272 0.104588496551 1 15.5860110543 4.17358955286 -0.566758904214 1 16.6431929451 -3.77015985899 -0.660657202547 1 12.0602052934 -4.36724803133 0.139997105688 1 11.0701659350 3.59425419512 0.203144347206 16 19.6304263353 0.686794962887 -1.01096050120 8 20.5702877543 -1.51578267698 -2.26860480338 8 19.9498684877 3.17604514588 -2.02400342944 7 20.8410111234 0.697292062619 1.77517976903 1 21.1380020961 2.33317949807 2.66979007743 1 21.5834993494 -0.887153761337 2.48491793384 6 8.55072081282 -1.02933075625 0.787372576289 8 7.74481307558 -3.17762575485 0.511396947249 7 7.05397038251 0.888627903207 1.54546896295 1 7.76234008752 2.58922394741 1.90477240945 6 4.34412151772 0.471267660613 1.97617977221 1 4.11567022133 -1.31564616149 2.93907082096 1 3.66918162500 1.96785234101 3.19655760703 6 2.83322401463 0.431124044979 -0.504279368481 1 3.11335731365 2.20436047481 -1.49304292078 1 3.57440415444 -1.07510116992 -1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 1.49697720468 1.17000519138 1 -0.298267921192 -1.78626047228 0.960482973300 1 -1.05317079190 -4.110766263255E-02 -1.75580559418 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 25-*- 25 (25)2-COOMe-benzenesulfonamide --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ 6 17.9683881599 -0.297292077107 1.27536857331 6 13.1074956167 0.472207080671 -0.453228519305 6 16.4795229986 -2.34875635930 0.647864180363 6 17.0206311288 2.13415723988 1.11906109396 6 14.5917090576 2.50997045525 0.254800853982 6 14.0483817764 -1.95969349025 -0.221879028027 1 17.2064313178 -4.21995575715 0.891477750401 1 18.1611556206 3.69459587591 1.71498801728 1 13.7960455627 4.36328224970 0.132995603972 1 12.9022737548 -3.57153468866 -0.648336550217 16 21.0720806852 -0.788022958085 2.30216806175 8 21.7468110653 1.31897174983 3.85840867623 8 21.2227851157 -3.34246112332 3.18367143395 7 22.7709964146 -0.611425397042 -0.210357613229 1 23.2419454469 -2.18327885030 -1.14424461781 1 23.6155189330 1.01555484106 -0.663326749229 6 10.4913649952 1.09295624704 -1.36656090135 8 9.63574908684 3.22390935997 -1.10529668512 7 9.16801166064 -0.764206510305 -2.50274977654 1 9.93546118641 -2.44582902745 -2.82792804056 6 6.57752127994 -0.303665749238 -3.38789268707 1 6.51903031968 1.54105374663 -4.26306789461 1 6.14310735722 -1.71711069845 -4.80129056636 6 4.64548715274 -0.408008321980 -1.22155256882 1 4.74877437287 -2.24262500055 -0.310278321539 1 5.15722580814 1.01799017637 0.154647286614 6 1.93810690142 7.135985398158E-02 -2.17182509407 1 1.44127945712 -1.34174421826 -3.57579700736 1 1.85954730813 1.90266503311 -3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 -1.83021062745 0.923376785869 1 -1.89573167271 0.347838378411 -0.695134146311 1 0.441627040364 1.42860412068 1.40142839635 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 25-*- 25 (25)2-COOMe-benzenesulfonamide --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ 6 20.7991290262 0.173784562617 -0.967430943750 6 15.8208872142 -0.493809018334 0.438608973922 6 19.3262977014 2.25396162951 -0.398797961368 6 19.7814511456 -2.23370706654 -0.914828584962 6 17.2935652430 -2.55864272562 -0.212496983470 6 16.8360353316 1.91574159282 0.309779724471 1 20.1142731917 4.10895290340 -0.564237775091 1 20.9173363920 -3.81385503923 -1.46592508350 1 16.4442776257 -4.39176179105 -0.176203941180 1 15.7049640512 3.54969525139 0.689919799457 16 23.9730508168 0.598035781202 -1.78812191880 8 24.6931739735 -1.50517256805 -3.32907555178 8 24.2435498230 3.15901002899 -2.62060021432 7 25.5033852023 0.345442345150 0.824002123731 1 25.9537944258 1.89269407830 1.80776047178 1 26.2758209659 -1.30859530159 1.30662787836 6 13.1364605614 -1.05636550436 1.17304363784 8 12.2342106329 -3.15067883783 0.798066467619 7 11.8045299533 0.811050923403 2.28280920599 1 12.6074301426 2.45211797021 2.71333127911 6 9.14976160456 0.415244685406 2.99139374910 1 8.97576642824 -1.45199356268 3.80070440505 1 8.67465458601 1.79959917137 4.42036175613 6 7.36177114450 0.653459671476 0.714423221458 1 7.91441927685 -0.744818521689 -0.674421622847 1 7.58140029875 2.51170351436 -0.125580462120 6 4.58736232398 0.234912622601 1.48206692652 1 4.39235199539 -1.62338779407 2.33305194788 1 4.04706318167 1.61793167812 2.90215796291 6 2.76982943896 0.437731877559 -0.782841872202 1 3.30844365759 -0.941827465806 -2.20173367200 1 2.95663454185 2.29447008586 -1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 -1.86570407362 0.817672243790 1 -1.25343256978 0.149457481471 -1.61416779080 1 -0.583961285311 1.38598079582 1.39357136739 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 25-*- 25 (25)2-COOMe-benzenesulfonamide --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ 6 22.5771469666 -1.15315062242 1.33850011954 6 17.8425169573 0.576156120662 -2.234632623383E-03 6 21.1633719312 -2.48100690435 -0.409962720559 6 21.6107089723 0.989908679563 2.48228696960 6 19.2440933876 1.84630992232 1.80831765324 6 18.7957098516 -1.60947522179 -1.08290543351 1 21.8946454585 -4.19945910018 -1.18536236676 1 22.6855831307 1.93339152381 3.91236744583 1 18.4339240240 3.48182972505 2.67523222275 1 17.7008464917 -2.68987866802 -2.39737300535 16 25.6065323789 -2.21318301591 2.12963917739 8 26.1459122384 -1.31654885736 4.62396311682 8 25.7256214254 -4.83779591130 1.48007485887 7 27.4751893457 -0.743706108843 0.237803865057 1 28.0301701289 -1.56579060238 -1.36866835464 1 28.3270991466 0.844667304544 0.800499116961 6 15.2894950371 1.66650661716 -0.597501874580 8 14.3687896107 3.29889550467 0.754640571509 7 14.1000853631 0.805668522375 -2.68023465397 1 14.9377893462 -0.404137958512 -3.84561620167 6 11.5717591707 1.74173503480 -3.34228248627 1 11.5333026393 3.75907383560 -3.02446283844 1 11.2783293185 1.38337013554 -5.33468474421 6 9.48677589010 0.474256852886 -1.76614598946 1 9.86157341390 0.860340863107 0.208498546579 1 9.56627349941 -1.55562313317 -2.04857411438 6 6.84855323045 1.47113086062 -2.48064608058 1 6.79648913596 3.50501120231 -2.20511689137 1 6.49229173351 1.11341496630 -4.47217285833 6 4.73751179529 0.241051054790 -0.898179482966 1 5.09253015610 0.596968801207 1.09184063865 1 4.78211518922 -1.79347499883 -1.17152183930 6 2.09502690272 1.24324747214 -1.59513297750 1 2.05024617966 3.27578983933 -1.31947880152 1 1.74096952081 0.890659058047 -3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 -2.03079721447 -0.281447018883 1 -1.84622701379 0.726603423243 -0.512706719913 1 0.300397382099 0.366813160548 1.99443311341 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 25-*- 25 (25)2-COOMe-benzenesulfonamide --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ 6 25.3713425036 -1.29078949634 0.355162756323 6 20.4999091352 0.573560077356 0.364133120434 6 23.9743069632 -1.31357807398 -1.85095938988 6 24.3252994282 -0.415369237348 2.58530943683 6 21.8910263201 0.513406735149 2.58161342663 6 21.5377263326 -0.374782138985 -1.84407022859 1 24.7750487130 -2.10650345747 -3.53005203392 1 25.3946688774 -0.512004923803 4.29936626465 1 21.0202154713 1.18149772339 4.27815360199 1 20.4612990421 -0.457447519092 -3.55525533127 16 28.4826686810 -2.40691226463 0.326907266351 8 29.0575208275 -3.24882881774 2.83235788148 8 28.7292616886 -4.02045594705 -1.83191149933 7 30.1958247445 4.659798221744E-02 -0.196814783951 1 30.7416402004 0.458650792246 -1.95662063897 1 30.9742895925 0.978036517171 1.24950605113 6 17.8685695062 1.62069402182 0.569037022625 8 16.9121337151 1.98640308405 2.64084945189 7 16.6475838091 2.16728923214 -1.59968433242 1 17.5026399508 2.00396757565 -3.26264024246 6 14.0471178299 3.13731508438 -1.54317890412 1 13.9081475080 4.50575166986 -3.317958501066E-02 1 13.6971642834 4.08287469466 -3.32301791741 6 12.0992929940 1.02487542427 -1.11703967027 1 12.5281848996 0.117796579141 0.666940159516 1 12.2815924673 -0.373262443907 -2.60660342009 6 9.38368726187 2.06734240350 -1.06370511801 1 9.22904530181 3.47641655650 0.421514153709 1 8.97012908132 3.00584669183 -2.84391203155 6 7.40761134032 -2.081885259197E-02 -0.604515659145 1 7.82188979387 -0.959523171789 1.17316216804 1 7.55506462234 -1.43154567156 -2.08911482546 6 4.68976064388 1.01856155618 -0.532987082800 1 4.54337076001 2.42907817719 0.951893386632 1 4.27548433984 1.96002534321 -2.31043907566 6 2.70945778986 -1.06451077238 -7.050369403612E-02 1 2.85286386444 -2.47488702954 -1.55389920638 1 3.12196207310 -2.00541446888 1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 0.913671943654 -1.77644025194 1 -0.190421763470 1.38528862659 1.49931725663 1 -1.36920746468 -1.48906274881 0.327953965063 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 25-*- 25 (25)2-COOMe-benzenesulfonamide --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ 6 11.4685180715 -0.253882949226 8.474462535635E-02 6 7.19062762231 -3.24008712288 -0.100063105919 6 11.6981945344 -2.85966170851 5.025460226330E-03 6 9.11390641423 0.865650375794 0.123696384616 6 6.97923343015 -0.634543538809 1.427532296027E-02 6 9.55505127466 -4.35118078824 -9.532684685333E-02 1 13.5413661906 -3.69085706483 6.389129389547E-02 1 8.91876888683 2.87372223123 0.273659463596 1 9.73029667036 -6.36630301376 -0.149923280749 1 5.51153997987 -4.36006666529 -0.171835031887 16 14.1803164368 1.62780845723 0.158509606474 8 13.5269949162 3.93158432044 1.41592020884 8 16.2116408856 4.732379784424E-02 0.997852510013 7 14.7447121012 2.33822596137 -2.74112009917 1 15.9564603644 1.30012762451 -3.75021629788 1 14.1388996225 3.98459255671 -3.44001829990 6 4.49608514955 0.638985724429 4.506953032958E-02 8 4.18992202766 2.89676438455 0.122562411769 8 2.55708715476 -1.00698691399 -3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 1.20073247043 -1.62009336211 1 -0.309941716392 1.07740963200 1.70308250220 1 -1.21438727312 -1.62960151537 -6.323176597468E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 25-*- 25 (25)2-COOMe-benzenesulfonamide --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 25-*- 25 (25)2-COOMe-benzenesulfonamide --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 25-*- 25 (25)2-COOMe-benzenesulfonamide --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ 6 14.6470472295 7.927582673955E-02 -1.80388763872 6 11.0622537716 -3.27640760804 -3.297672786334E-02 6 14.7369160592 -2.43215177975 -2.53444551673 6 12.8070002392 0.912058450381 -0.154696461770 6 11.0072899085 -0.769206969645 0.713259671910 6 12.9364096564 -4.10752092444 -1.65236698309 1 16.2316861745 -3.05537583528 -3.74640500018 1 12.7765418719 2.82982636485 0.488648395220 1 13.0085282876 -6.05136023195 -2.20986983423 1 9.65703039613 -4.54278939690 0.674485001885 16 16.8933356488 2.20308237715 -2.96282720847 8 17.1654544206 4.16922825102 -1.12553453199 8 18.9940820965 0.731414937095 -3.82882717480 7 15.6175472951 3.46311887774 -5.41587468911 1 15.9629473681 2.75343817166 -7.13085232509 1 14.7456722210 5.13162497330 -5.26853072316 6 9.06040892940 0.201291984067 2.46474864871 8 8.91665151407 2.36805020959 3.16600142043 8 7.43567148504 -1.60759380764 3.21024508761 6 5.40076218187 -0.941573563734 4.96333502457 1 6.16223386958 0.282504725278 6.40561520272 1 4.83637016269 -2.72590185916 5.76743153053 6 3.22465398359 0.335499112468 3.56255615145 1 3.88723544293 2.11837323163 2.80741591652 1 1.74866488564 0.745640292260 4.92795366683 6 2.15777787507 -1.32856537299 1.43129092786 1 3.66996182072 -1.79605579868 0.134672107749 1 1.47023890202 -3.09083857609 2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 1.74919959851 -0.839514279590 1 -1.54647644809 0.446140232212 1.26996230476 1 -0.727968804225 -1.19296015340 -1.49826125964 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 25-*- 25 (25)2-COOMe-benzenesulfonamide --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ 6 15.5857849743 -2.50320656099 -0.283104929214 6 11.9477519901 -0.265601364238 -3.28437285011 6 15.1955234303 -3.36567685925 -2.72303913602 6 14.2038763741 -0.497554258416 0.647661747916 6 12.3742206362 0.605351099315 -0.854284478855 6 13.3682924883 -2.24861319012 -4.21990499323 1 16.3483931819 -4.86699644976 -3.43623300903 1 14.5543395539 0.237668026400 2.49948825580 1 13.0702409063 -2.90891395441 -6.10928177806 1 10.5310380305 0.627420012301 -4.41320849100 16 17.8598567324 -3.95209746352 1.62172524400 8 18.7246316588 -2.10003952192 3.39305718978 8 19.5485828687 -5.27043805899 -3.332421045498E-02 7 16.3526751617 -6.05530532866 3.21458285065 1 16.2877289981 -7.83925689734 2.60008498958 1 15.7620921959 -5.66282364226 4.96475175520 6 10.9261991062 2.73934165237 0.217717962227 8 11.2112867513 3.56550578716 2.32576443131 8 9.22808002934 3.68331144731 -1.42320904916 6 7.65066414100 5.81774380506 -0.640304126689 1 8.82071748940 7.15621820509 0.358783329084 1 6.99270053459 6.61630905892 -2.39477751901 6 5.46203196849 4.91892323018 1.01274104247 1 6.22602062455 4.15077443319 2.74881388687 1 4.32660876757 6.55719901915 1.50059706313 6 3.81022818439 2.93864875015 -0.328451222165 1 4.98612332835 1.35786442271 -0.886479934850 1 3.02892012671 3.75377032467 -2.04422241597 6 1.63642050633 1.98970683456 1.35674452754 1 2.41628486484 1.18059849219 3.07320260399 1 0.462496694661 3.57825723366 1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 -1.62193403769 -0.534071373188 1 -1.51941548009 -0.652609453841 1.20996019667 1 -0.830356562624 0.787529838203 -1.70103117294 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 5.04401540573 5.065785560124E-17 -8.565768416162E-02 6 9.27990108396 9.396277336371E-17 2.94283641892 6 6.11045552513 2.27247789332 0.644730598780 6 6.11045552513 -2.27247789332 0.644730598780 6 8.22908048709 -2.26870089799 2.17155776959 6 8.22908048709 2.26870089799 2.17155776959 1 5.30807717985 4.00751998316 -1.696942951703E-02 1 5.30807717985 -4.00751998316 -1.696942951703E-02 1 9.06580730279 -4.02284755065 2.73828333892 1 9.06580730279 4.02284755065 2.73828333892 1 10.9268739609 1.108006638944E-16 4.12165702328 16 2.32566022845 2.288454205577E-17 -1.95862643609 8 2.24799399215 -2.36940193927 -3.26556451771 8 2.24799399215 2.36940193927 -3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 1.62837329388 0.493096431600 1 -0.817594738155 -1.62837329388 0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 8.11007909745 -8.556435899195E-18 -0.100897097935 6 2.86329951331 -2.922536611154E-18 -7.349736953064E-02 6 6.80777063774 -2.26567639154 -0.121232299609 6 6.80777063774 2.26567639154 -0.121232299609 6 4.19897121896 2.25839811190 -9.895828809266E-02 6 4.19897121896 -2.25839811190 -9.895828809266E-02 1 7.83682406515 -4.00573551491 -0.201208431763 1 7.83682406515 4.00573551491 -0.201208431763 1 3.19435364603 4.01778780932 -0.125815986880 1 3.19435364603 -4.01778780932 -0.125815986880 16 11.4059109298 -1.222287901647E-17 -6.903234852523E-02 8 12.2226557176 2.36966347735 -1.09351831769 8 12.2226557176 -2.36966347735 -1.09351831769 7 12.1903871090 -2.070990068685E-17 2.87084462677 1 12.5792272181 -1.62848573258 3.74230825804 1 12.5792272181 1.62848573258 3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 -4.336273740756E-18 1.94437378897 1 -0.758564487207 1.65923610975 -0.927043031519 1 -0.758564487207 -1.65923610975 -0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 9.49515614095 -1.986230634504E-17 -0.330909318726 6 4.54766506655 1.418482302241E-17 1.41449070261 6 8.25938767444 -2.26624765571 7.914581718090E-02 6 8.25938767444 2.26624765571 7.914581718090E-02 6 5.80247435955 2.25843288285 0.956589914867 6 5.80247435955 -2.25843288285 0.956589914867 1 9.20891937494 -4.00630432243 -0.325801090800 1 9.20891937494 4.00630432243 -0.325801090800 1 4.84800788582 4.01788928760 1.27432519389 1 4.84800788582 -4.01788928760 1.27432519389 16 12.6215076530 -4.047871219384E-17 -1.37421975164 8 13.0597966465 2.36964987132 -2.60912294465 8 13.0597966465 -2.36964987132 -2.60912294465 7 14.3219760733 -5.129921083899E-18 1.14895839935 1 14.9723537348 -1.62851785792 1.84712919698 1 14.9723537348 1.62851785792 1.84712919698 6 1.82011448549 3.162508651201E-17 2.28845439361 1 1.46450096442 1.65231782291 3.44535547264 1 1.46450096442 -1.65231782291 3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 1.65855864299 -1.15861699465 1 0.312880607522 -1.65855864299 -1.15861699465 1 -1.95068478995 1.250653597013E-17 0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 12.3462848294 -8.276065163872E-20 -0.219629035968 6 7.27697590475 1.666425406161E-18 1.13352461031 6 11.0821729337 -2.26629036351 9.228879249722E-02 6 11.0821729337 2.26629036351 9.228879249722E-02 6 8.56408820998 2.25853587292 0.774654122839 6 8.56408820998 -2.25853587292 0.774654122839 1 12.0604999845 -4.00629846428 -0.237334526856 1 12.0604999845 4.00629846428 -0.237334526856 1 7.58747623906 4.01782409206 1.01660875510 1 7.58747623906 -4.01782409206 1.01660875510 16 15.5446672699 -1.106855929460E-18 -1.01482146618 8 16.0785895276 2.36961755701 -2.21160547802 8 16.0785895276 -2.36961755701 -2.21160547802 7 17.0423265084 2.516184840979E-18 1.63372129060 1 17.6356158799 -1.62852220429 2.38095755132 1 17.6356158799 1.62852220429 2.38095755132 6 4.48973225005 2.504801715792E-18 1.78668016231 1 4.03784923022 1.65364233185 2.91036104922 1 4.03784923022 -1.65364233185 2.91036104922 6 2.84178543494 -8.061817684800E-19 -0.630150435706 1 3.30689183592 1.64977444070 -1.75284818480 1 3.30689183592 -1.64977444070 -1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 1.66081705451 1.09295879416 1 -1.12447528227 -2.345093436379E-18 -1.71233470070 1 -0.500643208584 -1.66081705451 1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 14.1238159113 1.214503673567E-17 -0.678437661017 6 9.44100667607 7.329180195868E-17 1.68836769331 6 12.9508759688 -2.26624992338 -0.112955994743 6 12.9508759688 2.26624992338 -0.112955994743 6 10.6269754875 2.25848844080 1.07270695836 6 10.6269754875 -2.25848844080 1.07270695836 1 13.8404298349 -4.00630337757 -0.636723693997 1 13.8404298349 4.00630337757 -0.636723693997 1 9.72086351835 4.01774604637 1.51016368205 1 9.72086351835 -4.01774604637 1.51016368205 16 17.0896510524 -2.469474469544E-17 -2.11542048055 8 17.3657436482 2.36962001365 -3.39654871916 8 17.3657436482 -2.36962001365 -3.39654871916 7 19.1011870389 4.944166890890E-17 0.167534197609 1 19.8356986120 -1.62853921182 0.776447021723 1 19.8356986120 1.62853921182 0.776447021723 6 6.84711615725 1.041405701228E-16 2.90008400935 1 6.63682781461 -1.65387609096 4.09248466188 1 6.63682781461 1.65387609096 4.09248466188 6 4.74105840551 3.748430357849E-17 0.870168924938 1 4.96583213621 -1.65095665328 -0.325145161310 1 4.96583213621 1.65095665328 -0.325145161310 6 2.07671001580 6.693452376398E-17 2.04129882743 1 1.86017810411 -1.65244972578 3.23844110052 1 1.86017810411 1.65244972578 3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 -1.66008648645 -1.19157111842 1 -1.86482588637 2.150045959666E-17 0.848869041688 1 0.161115980412 1.66008648645 -1.19157111842 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 6-*- 6 (6)4-Am-Benzenesulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 16.9068057473 0.243177970445 -1.059325119563E-16 6 12.0155875324 -1.65600530852 -7.874007219591E-16 6 15.7028346951 -0.252939874960 -2.26622819153 6 15.7028346951 -0.252939874960 2.26622819153 6 13.2672687790 -1.18799231963 2.25851621977 6 13.2672687790 -1.18799231963 -2.25851621977 1 16.6905927723 4.935959543974E-02 -4.00587781127 1 16.6905927723 4.935959543974E-02 4.00587781127 1 12.3418929399 -1.58361797677 4.01758126227 1 12.3418929399 -1.58361797677 -4.01758126227 16 19.9613139677 1.48061075670 3.396565444380E-16 8 21.0975033451 0.827628604396 2.36965497358 8 21.0975033451 0.827628604396 -2.36965497358 7 19.6140817394 4.50363661503 1.520890767875E-15 1 19.6563448244 5.45686048237 -1.62850009449 1 19.6563448244 5.45686048237 1.62850009449 6 9.31463490683 -2.60509907624 -1.124910972962E-15 1 8.98767928251 -3.77103356608 -1.65353820795 1 8.98767928251 -3.77103356608 1.65353820795 6 7.41754404250 -0.378508099205 -2.354035425308E-16 1 7.75886683358 0.788097380015 -1.65185162751 1 7.75886683358 0.788097380015 1.65185162751 6 4.65268631611 -1.28701345345 -5.563510498846E-16 1 4.32004736793 -2.45842354097 -1.65339251008 1 4.32004736793 -2.45842354097 1.65339251008 6 2.76072678768 0.925807775628 3.277337893163E-16 1 3.09073708924 2.09665994535 -1.65204135600 1 3.09073708924 2.09665994535 1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 -1.14184653845 -1.66034613480 1 -1.30590878374 1.57901648689 6.303379891292E-16 1 -0.377248445559 -1.14184653845 1.66034613480 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 12.0127056291 -0.467319191248 0.111806432972 6 6.97352093600 0.759917308701 4.748266917407E-02 6 10.2217532895 -2.37079219426 0.152809003460 6 11.3033419938 2.04980757052 9.307700569057E-02 6 8.76972951282 2.66113662451 5.092383423729E-02 6 7.68607351310 -1.75397861179 0.112223563757 1 10.8183018721 -4.29997421278 0.259688127616 1 12.7207799808 3.49060386186 0.155267676093 1 8.15790328645 4.58878364063 3.776105769249E-02 1 6.26630294078 -3.18887845369 0.146456888627 16 15.2263520177 -1.25494370756 8.406950718910E-02 8 16.5763713396 0.857729096636 1.09992283794 8 15.4471228542 -3.74394477194 1.12115495093 7 15.9595091226 -1.44681230628 -2.85648386684 1 15.9368640683 -3.12142107712 -3.72820018659 1 16.7225609771 3.868535428217E-02 -3.73740008869 6 4.28110783217 1.51706821998 4.380793909740E-03 8 3.53735775286 3.67127241182 -4.627237069106E-02 8 2.70645115658 -0.479140449071 2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 1.08656629775 1.64022531142 1 -0.866069129495 -1.83937203385 2.906081667564E-02 1 -0.516390062658 1.02531407580 -1.68530034526 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 9.25649635012 -1.80846527957 -9.292601243073E-02 6 4.49653007628 0.252386364964 -5.563329730033E-02 6 8.97661510100 0.790299344150 -0.119114341606 6 7.17209172246 -3.38798511785 -0.102169685012 6 4.78224687467 -2.34735739516 -7.329320901833E-02 6 6.58177520099 1.82758693433 -9.237860791359E-02 1 10.6170947155 1.96958871556 -0.204027651419 1 7.43391914542 -5.39176377246 -0.175377186833 1 3.13114524169 -3.51529832560 -8.157662744579E-02 1 6.31465409765 3.82860234946 -0.115984151186 16 12.2941652834 -3.11903583590 -4.829871274683E-02 8 12.1064542125 -5.60990047425 -1.08680327140 8 13.9812398042 -1.25851015147 -1.05437846650 7 12.9682120575 -3.43319864541 2.89600901229 1 13.9516579638 -2.09107340260 3.78830088073 1 12.6725674087 -5.08557002470 3.76041888038 6 1.89086902464 1.27466774715 -2.847109335790E-02 8 1.83775228380 3.81438709360 -3.668617006514E-02 6 -0.611334772331 5.09553939230 -2.759474634627E-02 1 -1.67193584771 4.49484752416 -1.66284241111 1 -1.63290597596 4.54650767572 1.65033477868 6 -2.628882640013E-02 7.90958602311 -7.826139859268E-02 1 1.04055063371 8.37091267308 -1.76016592182 1 1.08118978950 8.42305482102 1.56183569609 1 -1.76381943467 8.99262746496 -7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 16.2691799750 0.861123974289 -0.131186883282 6 11.5121945621 -1.20427204035 -2.028457912686E-02 6 14.1804039648 2.43212467262 -0.170027955664 6 15.9979271981 -1.73975638478 -9.085209513991E-02 6 13.6053532164 -2.77244247494 -2.499575182470E-02 6 11.7868447762 1.39343219905 -0.106330752902 1 14.4397111888 4.43379554927 -0.293347888880 1 17.6391790059 -2.91927288464 -0.155077522013 1 13.3297352136 -4.77580185192 5.280276989638E-03 1 10.1431555114 2.56525744119 -0.138937307621 16 19.3020004227 2.18348775204 -0.134299477251 8 20.9842079738 0.325733494236 -1.15270139607 8 19.0886880558 4.66812122535 -1.18366001761 7 20.0154046741 2.51391842666 2.79896253743 1 19.7140075146 4.16469009410 3.66423830225 1 21.0264342221 1.18451012097 3.67951649332 6 8.98524438142 -2.40710164988 4.683800638368E-02 8 8.62404088094 -4.65762117820 0.119145313158 8 7.09521260910 -0.710056286046 2.027193485411E-02 6 4.48588899364 -1.61442012240 6.043557639931E-02 1 4.18402977757 -2.83160191470 -1.54997335048 1 4.18851510037 -2.69852442655 1.76429702456 6 2.81774658260 0.727728392362 -3.131445935321E-02 1 3.26511634385 1.91346199534 1.57535965464 1 3.26258594609 1.78075553052 -1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 1.67378352623 -6.601676572586E-02 1 -0.468128283684 -1.03824231167 1.70442814436 1 -0.470300494955 -1.17038221894 -1.61582801791 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 17.9684279399 1.54301176377 -0.149693423226 6 13.6326730870 -1.30132688262 -2.138183749743E-02 6 15.6426740929 2.73563073422 -0.189786012449 6 18.1438750705 -1.06604052147 -9.962044033802E-02 6 15.9621451629 -2.49057033907 -2.523220981312E-02 6 13.4610204855 1.30509459913 -0.117287370756 1 15.5573431966 4.75166639252 -0.321088296824 1 19.9617870444 -1.94922244854 -0.163264253275 1 16.0314585342 -4.51140907128 1.239461845501E-02 1 11.6418341179 2.17978662007 -0.150641401029 16 20.7317846783 3.36204210634 -0.163987391502 8 22.7051478607 1.81249173186 -1.17548489088 8 20.0987699462 5.76903704384 -1.22508771415 7 21.3801516200 3.82469400623 2.76690153273 1 20.8048852121 5.40607792939 3.62309870587 1 22.6005200302 2.68935847433 3.65393602741 6 11.3472294671 -2.91626214998 5.651370344789E-02 8 9.19665552725 -1.56522590120 3.245613991045E-02 6 6.77856962350 -2.90016097853 8.749655544515E-02 1 6.67652246165 -4.14495637472 -1.52674105702 1 6.68550306343 -4.02593032336 1.78755983989 6 4.73704841955 -0.874096953142 1.969560988444E-02 1 4.98065500262 0.246176556333 -1.67702200013 1 4.98893864106 0.366141886882 1.62964287548 8 11.3745245833 -5.19521098803 0.135688264964 6 2.07271853085 -2.04310727132 6.880948422220E-02 1 1.85408721205 -3.17805095775 1.76397604453 1 1.84594669663 -3.29720682002 -1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 1.24962477650 1.61609500694 1 -1.86381093455 -0.848750824383 3.507941596838E-02 1 0.158113135931 1.12952769314 -1.70286806009 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 11-*- 11 (11)4-COOAm-benzenesulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 20.7940103927 1.18292577645 -0.135748344237 6 16.2553748543 -1.32561650568 -1.898358840442E-02 6 18.5653398548 2.54782901355 -0.185991958815 6 20.7714899222 -1.43194635192 -8.119491494154E-02 6 18.4881809521 -2.68752983337 -1.268047644927E-02 6 16.2816292072 1.28621992460 -0.119293218161 1 18.6330826801 4.56430368467 -0.320494210942 1 22.5176825572 -2.45010794741 -0.136961916771 1 18.4044365481 -4.70774521966 2.810073710092E-02 1 14.5338256999 2.29576106594 -0.160475355254 16 23.6871881374 2.78742501086 -0.142668366748 8 25.5411157417 1.09148804236 -1.14525598407 8 23.2417958312 5.23383132605 -1.20898679380 7 24.3589360690 3.20370291968 2.78991772878 1 23.9091509095 4.82809819444 3.64057141352 1 25.4806790933 1.97605258766 3.68426382740 6 13.8540126043 -2.76296861394 5.303453877654E-02 8 11.8120703378 -1.25321399795 2.008307004224E-02 6 9.29901118039 -2.40045989565 6.905102121977E-02 1 9.10783205313 -3.63690786172 -1.54345602431 1 9.11551718001 -3.51245649883 1.77073227684 6 7.41759711942 -0.225163913710 -8.381954772778E-03 1 7.75164296187 0.869303738938 -1.70652575015 1 7.75918159098 0.994644284689 1.60061304784 8 13.7086109469 -5.03734953143 0.135183415616 6 4.67345055952 -1.19177646373 3.443655708758E-02 1 4.36347393069 -2.30467041402 1.73186035831 1 4.35593551642 -2.42824308851 -1.57363269202 6 2.73979046465 0.982603093803 -4.252073111888E-02 1 3.05064854136 2.21942573316 1.56427419659 1 3.04356406783 2.09606747732 -1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 -1.08637600396 1.70287631133 1 -0.357289139629 -1.20966193729 -1.61602453331 1 -1.33734281519 1.55130517970 -5.488380719168E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 22.6680723895 1.90654821224 -0.175233423843 6 18.4884955220 -1.16205594440 -2.429127256041E-02 6 20.2830274345 2.97597725977 -0.173664688758 6 22.9799650421 -0.690079737778 -0.155208703405 6 20.8766221032 -2.22748679265 -6.903817015508E-02 6 18.1799381157 1.43239889865 -8.995095951044E-02 1 20.0909835172 4.98607533718 -0.281845826277 1 24.8405388049 -1.47638787062 -0.250726882769 1 21.0517072441 -4.24227251958 -5.371272626672E-02 1 16.3172055949 2.21104024810 -9.170563306660E-02 16 25.3324936821 3.86769909134 -0.204282249485 8 27.3689282330 2.43608131514 -1.26337330774 8 24.5588648910 6.25073611663 -1.22544756910 7 25.9991456410 4.32704671165 2.72259774632 1 25.3514763748 5.86285263510 3.60932921947 1 27.2925393220 3.24838521296 3.57606690334 6 16.2916230451 -2.89540499983 6.179565244721E-02 8 14.0727663740 -1.65964926922 7.242285012777E-02 6 11.7286122162 -3.12131087053 0.129207796905 1 11.6916371367 -4.36862899705 -1.48585984781 1 11.6980732731 -4.25127283221 1.82879684924 6 9.58109439663 -1.20776499556 6.511610601119E-02 1 9.76756866224 -7.139861485579E-02 -1.62808855633 1 9.76377736159 3.875539761361E-02 1.67952200771 8 16.4397777482 -5.17051756224 0.117582340473 6 6.98540215161 -2.52323506137 0.105275847922 1 6.82580399210 -3.67429399210 1.79800400123 1 6.83170567671 -3.78372128405 -1.50810456154 6 4.78702881724 -0.616612023999 3.768403587990E-02 1 4.93145580826 0.642205670084 1.65293843334 1 4.94358499840 0.538158692436 -1.65236070615 6 2.18592326697 -1.92237034783 6.880796847135E-02 1 2.02940000857 -3.07742276656 1.75724206468 1 2.04230086267 -3.18049871305 -1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 1.24972460005 1.62283624211 1 -1.81555813970 -0.949604486281 2.171294654113E-02 1 0.101559387270 1.14661307089 -1.69643499199 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 12.2734251286 -0.428907088210 3.130417300445E-02 6 7.16512558575 0.605433656762 0.183825719733 6 10.5713708299 -2.37495748345 0.399070980710 6 11.4474717344 2.04279012262 -0.176766780326 6 8.89344536670 2.55194533980 -9.586430260886E-02 6 8.01368059796 -1.85426065145 0.469957115655 1 11.2546633574 -4.25736622768 0.680203900338 1 12.7976479862 3.53900012680 -0.347716707934 1 8.19737481149 4.44495294702 -0.221953717805 1 6.71862383287 -3.36899815646 0.820375895056 16 15.5058925312 -1.09988548484 -0.139878058083 8 16.8322621021 1.12838754297 0.629587328980 8 15.8847585470 -3.49504260894 1.06180455980 7 16.0744500874 -1.48770706952 -3.09912365385 1 16.0632182407 -3.22273094432 -3.84357473139 1 16.7466970697 -5.130502478586E-02 -4.12393032748 6 4.42868586731 1.35626047301 0.252477484269 8 3.82938195486 3.56208325758 0.576406362775 7 2.71818896568 -0.506140006335 -9.280093005674E-02 1 3.27509805498 -2.22468116302 -0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 1.90115557994 0.684101664629 1 -0.922458262213 -1.31460329988 1.26745769935 1 -0.840700153890 -0.156106480461 -1.86072422508 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 13.4991057155 0.357473590767 -0.713811663238 6 8.48076024177 -0.503164540210 0.416629781928 6 11.8631397624 2.37874757162 -0.473562136431 6 12.6300343135 -2.09621222127 -0.471550344568 6 10.1214739007 -2.51780523488 9.207153793854E-02 6 9.35258280198 1.94453974915 9.759660250163E-02 1 12.5459565012 4.25659611519 -0.784414249864 1 13.8986334476 -3.64265027953 -0.771481617840 1 9.38607236031 -4.39164092392 0.267910179188 1 8.09763925784 3.52677510687 0.221740185849 16 16.6935460046 0.912646421298 -1.35805736093 8 17.6544840841 -1.28364835574 -2.61076734769 8 16.8676643394 3.38662077444 -2.44146121239 7 18.0366372567 1.03700758771 1.36404066179 1 18.3163089429 2.70480564337 2.20359468998 1 18.8696549651 -0.501492704799 2.07432409737 6 5.78952802473 -1.16981982693 1.02631101775 8 5.04502030288 -3.34753860849 0.814795268017 7 4.26922563055 0.704156458501 1.84300557024 1 4.93783248921 2.42933031646 2.15895801923 6 1.59945609057 0.196996634022 2.41475962510 1 1.48860461593 -1.55437999117 3.45794673312 1 0.926691554047 1.71487444573 3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 1.73213272312 -1.08507996536 1 -1.96325947579 -0.346439546764 0.473696207925 1 0.684941159121 -1.55321650721 -1.13775889828 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 16.3895792015 0.240489114104 -0.536193806704 6 11.2920888992 -0.451096170868 0.326090712247 6 14.8194157858 2.31710236513 -0.332180772567 6 15.4194231089 -2.18266311147 -0.390199489610 6 12.8721086867 -2.51961306172 4.014493484245E-02 6 12.2689440408 1.96736827272 0.104588496551 1 15.5860110543 4.17358955286 -0.566758904214 1 16.6431929451 -3.77015985899 -0.660657202547 1 12.0602052934 -4.36724803133 0.139997105688 1 11.0701659350 3.59425419512 0.203144347206 16 19.6304263353 0.686794962887 -1.01096050120 8 20.5702877543 -1.51578267698 -2.26860480338 8 19.9498684877 3.17604514588 -2.02400342944 7 20.8410111234 0.697292062619 1.77517976903 1 21.1380020961 2.33317949807 2.66979007743 1 21.5834993494 -0.887153761337 2.48491793384 6 8.55072081282 -1.02933075625 0.787372576289 8 7.74481307558 -3.17762575485 0.511396947249 7 7.05397038251 0.888627903207 1.54546896295 1 7.76234008752 2.58922394741 1.90477240945 6 4.34412151772 0.471267660613 1.97617977221 1 4.11567022133 -1.31564616149 2.93907082096 1 3.66918162500 1.96785234101 3.19655760703 6 2.83322401463 0.431124044979 -0.504279368481 1 3.11335731365 2.20436047481 -1.49304292078 1 3.57440415444 -1.07510116992 -1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 1.49697720468 1.17000519138 1 -0.298267921192 -1.78626047228 0.960482973300 1 -1.05317079190 -4.110766263255E-02 -1.75580559418 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 17.9683881599 0.297292077107 -1.27536857331 6 13.1074956167 -0.472207080671 0.453228519305 6 16.4795229986 2.34875635930 -0.647864180363 6 17.0206311288 -2.13415723988 -1.11906109396 6 14.5917090576 -2.50997045525 -0.254800853982 6 14.0483817764 1.95969349025 0.221879028027 1 17.2064313178 4.21995575715 -0.891477750401 1 18.1611556206 -3.69459587591 -1.71498801728 1 13.7960455627 -4.36328224970 -0.132995603972 1 12.9022737548 3.57153468866 0.648336550217 16 21.0720806852 0.788022958085 -2.30216806175 8 21.7468110653 -1.31897174983 -3.85840867623 8 21.2227851157 3.34246112332 -3.18367143395 7 22.7709964146 0.611425397042 0.210357613229 1 23.2419454469 2.18327885030 1.14424461781 1 23.6155189330 -1.01555484106 0.663326749229 6 10.4913649952 -1.09295624704 1.36656090135 8 9.63574908684 -3.22390935997 1.10529668512 7 9.16801166064 0.764206510305 2.50274977654 1 9.93546118641 2.44582902745 2.82792804056 6 6.57752127994 0.303665749238 3.38789268707 1 6.51903031968 -1.54105374663 4.26306789461 1 6.14310735722 1.71711069845 4.80129056636 6 4.64548715274 0.408008321980 1.22155256882 1 4.74877437287 2.24262500055 0.310278321539 1 5.15722580814 -1.01799017637 -0.154647286614 6 1.93810690142 -7.135985398158E-02 2.17182509407 1 1.44127945712 1.34174421826 3.57579700736 1 1.85954730813 -1.90266503311 3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 1.83021062745 -0.923376785869 1 -1.89573167271 -0.347838378411 0.695134146311 1 0.441627040364 -1.42860412068 -1.40142839635 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 20.7991290262 0.173784562617 -0.967430943750 6 15.8208872142 -0.493809018334 0.438608973922 6 19.3262977014 2.25396162951 -0.398797961368 6 19.7814511456 -2.23370706654 -0.914828584962 6 17.2935652430 -2.55864272562 -0.212496983470 6 16.8360353316 1.91574159282 0.309779724471 1 20.1142731917 4.10895290340 -0.564237775091 1 20.9173363920 -3.81385503923 -1.46592508350 1 16.4442776257 -4.39176179105 -0.176203941180 1 15.7049640512 3.54969525139 0.689919799457 16 23.9730508168 0.598035781202 -1.78812191880 8 24.6931739735 -1.50517256805 -3.32907555178 8 24.2435498230 3.15901002899 -2.62060021432 7 25.5033852023 0.345442345150 0.824002123731 1 25.9537944258 1.89269407830 1.80776047178 1 26.2758209659 -1.30859530159 1.30662787836 6 13.1364605614 -1.05636550436 1.17304363784 8 12.2342106329 -3.15067883783 0.798066467619 7 11.8045299533 0.811050923403 2.28280920599 1 12.6074301426 2.45211797021 2.71333127911 6 9.14976160456 0.415244685406 2.99139374910 1 8.97576642824 -1.45199356268 3.80070440505 1 8.67465458601 1.79959917137 4.42036175613 6 7.36177114450 0.653459671476 0.714423221458 1 7.91441927685 -0.744818521689 -0.674421622847 1 7.58140029875 2.51170351436 -0.125580462120 6 4.58736232398 0.234912622601 1.48206692652 1 4.39235199539 -1.62338779407 2.33305194788 1 4.04706318167 1.61793167812 2.90215796291 6 2.76982943896 0.437731877559 -0.782841872202 1 3.30844365759 -0.941827465806 -2.20173367200 1 2.95663454185 2.29447008586 -1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 -1.86570407362 0.817672243790 1 -1.25343256978 0.149457481471 -1.61416779080 1 -0.583961285311 1.38598079582 1.39357136739 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 22.5771469666 -1.15315062242 1.33850011954 6 17.8425169573 0.576156120662 -2.234632623383E-03 6 21.1633719312 -2.48100690435 -0.409962720559 6 21.6107089723 0.989908679563 2.48228696960 6 19.2440933876 1.84630992232 1.80831765324 6 18.7957098516 -1.60947522179 -1.08290543351 1 21.8946454585 -4.19945910018 -1.18536236676 1 22.6855831307 1.93339152381 3.91236744583 1 18.4339240240 3.48182972505 2.67523222275 1 17.7008464917 -2.68987866802 -2.39737300535 16 25.6065323789 -2.21318301591 2.12963917739 8 26.1459122384 -1.31654885736 4.62396311682 8 25.7256214254 -4.83779591130 1.48007485887 7 27.4751893457 -0.743706108843 0.237803865057 1 28.0301701289 -1.56579060238 -1.36866835464 1 28.3270991466 0.844667304544 0.800499116961 6 15.2894950371 1.66650661716 -0.597501874580 8 14.3687896107 3.29889550467 0.754640571509 7 14.1000853631 0.805668522375 -2.68023465397 1 14.9377893462 -0.404137958512 -3.84561620167 6 11.5717591707 1.74173503480 -3.34228248627 1 11.5333026393 3.75907383560 -3.02446283844 1 11.2783293185 1.38337013554 -5.33468474421 6 9.48677589010 0.474256852886 -1.76614598946 1 9.86157341390 0.860340863107 0.208498546579 1 9.56627349941 -1.55562313317 -2.04857411438 6 6.84855323045 1.47113086062 -2.48064608058 1 6.79648913596 3.50501120231 -2.20511689137 1 6.49229173351 1.11341496630 -4.47217285833 6 4.73751179529 0.241051054790 -0.898179482966 1 5.09253015610 0.596968801207 1.09184063865 1 4.78211518922 -1.79347499883 -1.17152183930 6 2.09502690272 1.24324747214 -1.59513297750 1 2.05024617966 3.27578983933 -1.31947880152 1 1.74096952081 0.890659058047 -3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 -2.03079721447 -0.281447018883 1 -1.84622701379 0.726603423243 -0.512706719913 1 0.300397382099 0.366813160548 1.99443311341 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 25.3713425036 -1.29078949634 0.355162756323 6 20.4999091352 0.573560077356 0.364133120434 6 23.9743069632 -1.31357807398 -1.85095938988 6 24.3252994282 -0.415369237348 2.58530943683 6 21.8910263201 0.513406735149 2.58161342663 6 21.5377263326 -0.374782138985 -1.84407022859 1 24.7750487130 -2.10650345747 -3.53005203392 1 25.3946688774 -0.512004923803 4.29936626465 1 21.0202154713 1.18149772339 4.27815360199 1 20.4612990421 -0.457447519092 -3.55525533127 16 28.4826686810 -2.40691226463 0.326907266351 8 29.0575208275 -3.24882881774 2.83235788148 8 28.7292616886 -4.02045594705 -1.83191149933 7 30.1958247445 4.659798221744E-02 -0.196814783951 1 30.7416402004 0.458650792246 -1.95662063897 1 30.9742895925 0.978036517171 1.24950605113 6 17.8685695062 1.62069402182 0.569037022625 8 16.9121337151 1.98640308405 2.64084945189 7 16.6475838091 2.16728923214 -1.59968433242 1 17.5026399508 2.00396757565 -3.26264024246 6 14.0471178299 3.13731508438 -1.54317890412 1 13.9081475080 4.50575166986 -3.317958501066E-02 1 13.6971642834 4.08287469466 -3.32301791741 6 12.0992929940 1.02487542427 -1.11703967027 1 12.5281848996 0.117796579141 0.666940159516 1 12.2815924673 -0.373262443907 -2.60660342009 6 9.38368726187 2.06734240350 -1.06370511801 1 9.22904530181 3.47641655650 0.421514153709 1 8.97012908132 3.00584669183 -2.84391203155 6 7.40761134032 -2.081885259197E-02 -0.604515659145 1 7.82188979387 -0.959523171789 1.17316216804 1 7.55506462234 -1.43154567156 -2.08911482546 6 4.68976064388 1.01856155618 -0.532987082800 1 4.54337076001 2.42907817719 0.951893386632 1 4.27548433984 1.96002534321 -2.31043907566 6 2.70945778986 -1.06451077238 -7.050369403612E-02 1 2.85286386444 -2.47488702954 -1.55389920638 1 3.12196207310 -2.00541446888 1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 0.913671943654 -1.77644025194 1 -0.190421763470 1.38528862659 1.49931725663 1 -1.36920746468 -1.48906274881 0.327953965063 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 14.6470472295 7.927582673955E-02 -1.80388763872 6 11.0622537716 -3.27640760804 -3.297672786334E-02 6 14.7369160592 -2.43215177975 -2.53444551673 6 12.8070002392 0.912058450381 -0.154696461770 6 11.0072899085 -0.769206969645 0.713259671910 6 12.9364096564 -4.10752092444 -1.65236698309 1 16.2316861745 -3.05537583528 -3.74640500018 1 12.7765418719 2.82982636485 0.488648395220 1 13.0085282876 -6.05136023195 -2.20986983423 1 9.65703039613 -4.54278939690 0.674485001885 16 16.8933356488 2.20308237715 -2.96282720847 8 17.1654544206 4.16922825102 -1.12553453199 8 18.9940820965 0.731414937095 -3.82882717480 7 15.6175472951 3.46311887774 -5.41587468911 1 15.9629473681 2.75343817166 -7.13085232509 1 14.7456722210 5.13162497330 -5.26853072316 6 9.06040892940 0.201291984067 2.46474864871 8 8.91665151407 2.36805020959 3.16600142043 8 7.43567148504 -1.60759380764 3.21024508761 6 5.40076218187 -0.941573563734 4.96333502457 1 6.16223386958 0.282504725278 6.40561520272 1 4.83637016269 -2.72590185916 5.76743153053 6 3.22465398359 0.335499112468 3.56255615145 1 3.88723544293 2.11837323163 2.80741591652 1 1.74866488564 0.745640292260 4.92795366683 6 2.15777787507 -1.32856537299 1.43129092786 1 3.66996182072 -1.79605579868 0.134672107749 1 1.47023890202 -3.09083857609 2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 1.74919959851 -0.839514279590 1 -1.54647644809 0.446140232212 1.26996230476 1 -0.727968804225 -1.19296015340 -1.49826125964 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 15.5857849743 -2.50320656099 -0.283104929214 6 11.9477519901 -0.265601364238 -3.28437285011 6 15.1955234303 -3.36567685925 -2.72303913602 6 14.2038763741 -0.497554258416 0.647661747916 6 12.3742206362 0.605351099315 -0.854284478855 6 13.3682924883 -2.24861319012 -4.21990499323 1 16.3483931819 -4.86699644976 -3.43623300903 1 14.5543395539 0.237668026400 2.49948825580 1 13.0702409063 -2.90891395441 -6.10928177806 1 10.5310380305 0.627420012301 -4.41320849100 16 17.8598567324 -3.95209746352 1.62172524400 8 18.7246316588 -2.10003952192 3.39305718978 8 19.5485828687 -5.27043805899 -3.332421045498E-02 7 16.3526751617 -6.05530532866 3.21458285065 1 16.2877289981 -7.83925689734 2.60008498958 1 15.7620921959 -5.66282364226 4.96475175520 6 10.9261991062 2.73934165237 0.217717962227 8 11.2112867513 3.56550578716 2.32576443131 8 9.22808002934 3.68331144731 -1.42320904916 6 7.65066414100 5.81774380506 -0.640304126689 1 8.82071748940 7.15621820509 0.358783329084 1 6.99270053459 6.61630905892 -2.39477751901 6 5.46203196849 4.91892323018 1.01274104247 1 6.22602062455 4.15077443319 2.74881388687 1 4.32660876757 6.55719901915 1.50059706313 6 3.81022818439 2.93864875015 -0.328451222165 1 4.98612332835 1.35786442271 -0.886479934850 1 3.02892012671 3.75377032467 -2.04422241597 6 1.63642050633 1.98970683456 1.35674452754 1 2.41628486484 1.18059849219 3.07320260399 1 0.462496694661 3.57825723366 1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 -1.62193403769 -0.534071373188 1 -1.51941548009 -0.652609453841 1.20996019667 1 -0.830356562624 0.787529838203 -1.70103117294 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide --> 25-*- 25 (25)2-COOMe-benzenesulfonamide ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 5.04401540573 -5.065785560124E-17 8.565768416162E-02 6 9.27990108396 -9.396277336371E-17 -2.94283641892 6 6.11045552513 -2.27247789332 -0.644730598780 6 6.11045552513 2.27247789332 -0.644730598780 6 8.22908048709 2.26870089799 -2.17155776959 6 8.22908048709 -2.26870089799 -2.17155776959 1 5.30807717985 -4.00751998316 1.696942951703E-02 1 5.30807717985 4.00751998316 1.696942951703E-02 1 9.06580730279 4.02284755065 -2.73828333892 1 9.06580730279 -4.02284755065 -2.73828333892 1 10.9268739609 -1.108006638944E-16 -4.12165702328 16 2.32566022845 -2.288454205577E-17 1.95862643609 8 2.24799399215 2.36940193927 3.26556451771 8 2.24799399215 -2.36940193927 3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 -1.62837329388 -0.493096431600 1 -0.817594738155 1.62837329388 -0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 8.11007909745 -8.556435899195E-18 -0.100897097935 6 2.86329951331 -2.922536611154E-18 -7.349736953064E-02 6 6.80777063774 -2.26567639154 -0.121232299609 6 6.80777063774 2.26567639154 -0.121232299609 6 4.19897121896 2.25839811190 -9.895828809266E-02 6 4.19897121896 -2.25839811190 -9.895828809266E-02 1 7.83682406515 -4.00573551491 -0.201208431763 1 7.83682406515 4.00573551491 -0.201208431763 1 3.19435364603 4.01778780932 -0.125815986880 1 3.19435364603 -4.01778780932 -0.125815986880 16 11.4059109298 -1.222287901647E-17 -6.903234852523E-02 8 12.2226557176 2.36966347735 -1.09351831769 8 12.2226557176 -2.36966347735 -1.09351831769 7 12.1903871090 -2.070990068685E-17 2.87084462677 1 12.5792272181 -1.62848573258 3.74230825804 1 12.5792272181 1.62848573258 3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 -4.336273740756E-18 1.94437378897 1 -0.758564487207 1.65923610975 -0.927043031519 1 -0.758564487207 -1.65923610975 -0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 9.49515614095 1.986230634504E-17 0.330909318726 6 4.54766506655 -1.418482302241E-17 -1.41449070261 6 8.25938767444 2.26624765571 -7.914581718090E-02 6 8.25938767444 -2.26624765571 -7.914581718090E-02 6 5.80247435955 -2.25843288285 -0.956589914867 6 5.80247435955 2.25843288285 -0.956589914867 1 9.20891937494 4.00630432243 0.325801090800 1 9.20891937494 -4.00630432243 0.325801090800 1 4.84800788582 -4.01788928760 -1.27432519389 1 4.84800788582 4.01788928760 -1.27432519389 16 12.6215076530 4.047871219384E-17 1.37421975164 8 13.0597966465 -2.36964987132 2.60912294465 8 13.0597966465 2.36964987132 2.60912294465 7 14.3219760733 5.129921083899E-18 -1.14895839935 1 14.9723537348 1.62851785792 -1.84712919698 1 14.9723537348 -1.62851785792 -1.84712919698 6 1.82011448549 -3.162508651201E-17 -2.28845439361 1 1.46450096442 -1.65231782291 -3.44535547264 1 1.46450096442 1.65231782291 -3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 -1.65855864299 1.15861699465 1 0.312880607522 1.65855864299 1.15861699465 1 -1.95068478995 -1.250653597013E-17 -0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 12.3462848294 -8.276065163872E-20 -0.219629035968 6 7.27697590475 1.666425406161E-18 1.13352461031 6 11.0821729337 -2.26629036351 9.228879249722E-02 6 11.0821729337 2.26629036351 9.228879249722E-02 6 8.56408820998 2.25853587292 0.774654122839 6 8.56408820998 -2.25853587292 0.774654122839 1 12.0604999845 -4.00629846428 -0.237334526856 1 12.0604999845 4.00629846428 -0.237334526856 1 7.58747623906 4.01782409206 1.01660875510 1 7.58747623906 -4.01782409206 1.01660875510 16 15.5446672699 -1.106855929460E-18 -1.01482146618 8 16.0785895276 2.36961755701 -2.21160547802 8 16.0785895276 -2.36961755701 -2.21160547802 7 17.0423265084 2.516184840979E-18 1.63372129060 1 17.6356158799 -1.62852220429 2.38095755132 1 17.6356158799 1.62852220429 2.38095755132 6 4.48973225005 2.504801715792E-18 1.78668016231 1 4.03784923022 1.65364233185 2.91036104922 1 4.03784923022 -1.65364233185 2.91036104922 6 2.84178543494 -8.061817684800E-19 -0.630150435706 1 3.30689183592 1.64977444070 -1.75284818480 1 3.30689183592 -1.64977444070 -1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 1.66081705451 1.09295879416 1 -1.12447528227 -2.345093436379E-18 -1.71233470070 1 -0.500643208584 -1.66081705451 1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 14.1238159113 1.214503673567E-17 -0.678437661017 6 9.44100667607 7.329180195868E-17 1.68836769331 6 12.9508759688 -2.26624992338 -0.112955994743 6 12.9508759688 2.26624992338 -0.112955994743 6 10.6269754875 2.25848844080 1.07270695836 6 10.6269754875 -2.25848844080 1.07270695836 1 13.8404298349 -4.00630337757 -0.636723693997 1 13.8404298349 4.00630337757 -0.636723693997 1 9.72086351835 4.01774604637 1.51016368205 1 9.72086351835 -4.01774604637 1.51016368205 16 17.0896510524 -2.469474469544E-17 -2.11542048055 8 17.3657436482 2.36962001365 -3.39654871916 8 17.3657436482 -2.36962001365 -3.39654871916 7 19.1011870389 4.944166890890E-17 0.167534197609 1 19.8356986120 -1.62853921182 0.776447021723 1 19.8356986120 1.62853921182 0.776447021723 6 6.84711615725 1.041405701228E-16 2.90008400935 1 6.63682781461 -1.65387609096 4.09248466188 1 6.63682781461 1.65387609096 4.09248466188 6 4.74105840551 3.748430357849E-17 0.870168924938 1 4.96583213621 -1.65095665328 -0.325145161310 1 4.96583213621 1.65095665328 -0.325145161310 6 2.07671001580 6.693452376398E-17 2.04129882743 1 1.86017810411 -1.65244972578 3.23844110052 1 1.86017810411 1.65244972578 3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 -1.66008648645 -1.19157111842 1 -1.86482588637 2.150045959666E-17 0.848869041688 1 0.161115980412 1.66008648645 -1.19157111842 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 6-*- 6 (6)4-Am-Benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 16.9068057473 0.243177970445 -1.059325119563E-16 6 12.0155875324 -1.65600530852 -7.874007219591E-16 6 15.7028346951 -0.252939874960 -2.26622819153 6 15.7028346951 -0.252939874960 2.26622819153 6 13.2672687790 -1.18799231963 2.25851621977 6 13.2672687790 -1.18799231963 -2.25851621977 1 16.6905927723 4.935959543974E-02 -4.00587781127 1 16.6905927723 4.935959543974E-02 4.00587781127 1 12.3418929399 -1.58361797677 4.01758126227 1 12.3418929399 -1.58361797677 -4.01758126227 16 19.9613139677 1.48061075670 3.396565444380E-16 8 21.0975033451 0.827628604396 2.36965497358 8 21.0975033451 0.827628604396 -2.36965497358 7 19.6140817394 4.50363661503 1.520890767875E-15 1 19.6563448244 5.45686048237 -1.62850009449 1 19.6563448244 5.45686048237 1.62850009449 6 9.31463490683 -2.60509907624 -1.124910972962E-15 1 8.98767928251 -3.77103356608 -1.65353820795 1 8.98767928251 -3.77103356608 1.65353820795 6 7.41754404250 -0.378508099205 -2.354035425308E-16 1 7.75886683358 0.788097380015 -1.65185162751 1 7.75886683358 0.788097380015 1.65185162751 6 4.65268631611 -1.28701345345 -5.563510498846E-16 1 4.32004736793 -2.45842354097 -1.65339251008 1 4.32004736793 -2.45842354097 1.65339251008 6 2.76072678768 0.925807775628 3.277337893163E-16 1 3.09073708924 2.09665994535 -1.65204135600 1 3.09073708924 2.09665994535 1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 -1.14184653845 -1.66034613480 1 -1.30590878374 1.57901648689 6.303379891292E-16 1 -0.377248445559 -1.14184653845 1.66034613480 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 12.0127056291 0.467319191248 -0.111806432972 6 6.97352093600 -0.759917308701 -4.748266917407E-02 6 10.2217532895 2.37079219426 -0.152809003460 6 11.3033419938 -2.04980757052 -9.307700569057E-02 6 8.76972951282 -2.66113662451 -5.092383423729E-02 6 7.68607351310 1.75397861179 -0.112223563757 1 10.8183018721 4.29997421278 -0.259688127616 1 12.7207799808 -3.49060386186 -0.155267676093 1 8.15790328645 -4.58878364063 -3.776105769249E-02 1 6.26630294078 3.18887845369 -0.146456888627 16 15.2263520177 1.25494370756 -8.406950718910E-02 8 16.5763713396 -0.857729096636 -1.09992283794 8 15.4471228542 3.74394477194 -1.12115495093 7 15.9595091226 1.44681230628 2.85648386684 1 15.9368640683 3.12142107712 3.72820018659 1 16.7225609771 -3.868535428217E-02 3.73740008869 6 4.28110783217 -1.51706821998 -4.380793909740E-03 8 3.53735775286 -3.67127241182 4.627237069106E-02 8 2.70645115658 0.479140449071 -2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 -1.08656629775 -1.64022531142 1 -0.866069129495 1.83937203385 -2.906081667564E-02 1 -0.516390062658 -1.02531407580 1.68530034526 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 9.25649635012 -1.80846527957 -9.292601243073E-02 6 4.49653007628 0.252386364964 -5.563329730033E-02 6 8.97661510100 0.790299344150 -0.119114341606 6 7.17209172246 -3.38798511785 -0.102169685012 6 4.78224687467 -2.34735739516 -7.329320901833E-02 6 6.58177520099 1.82758693433 -9.237860791359E-02 1 10.6170947155 1.96958871556 -0.204027651419 1 7.43391914542 -5.39176377246 -0.175377186833 1 3.13114524169 -3.51529832560 -8.157662744579E-02 1 6.31465409765 3.82860234946 -0.115984151186 16 12.2941652834 -3.11903583590 -4.829871274683E-02 8 12.1064542125 -5.60990047425 -1.08680327140 8 13.9812398042 -1.25851015147 -1.05437846650 7 12.9682120575 -3.43319864541 2.89600901229 1 13.9516579638 -2.09107340260 3.78830088073 1 12.6725674087 -5.08557002470 3.76041888038 6 1.89086902464 1.27466774715 -2.847109335790E-02 8 1.83775228380 3.81438709360 -3.668617006514E-02 6 -0.611334772331 5.09553939230 -2.759474634627E-02 1 -1.67193584771 4.49484752416 -1.66284241111 1 -1.63290597596 4.54650767572 1.65033477868 6 -2.628882640013E-02 7.90958602311 -7.826139859268E-02 1 1.04055063371 8.37091267308 -1.76016592182 1 1.08118978950 8.42305482102 1.56183569609 1 -1.76381943467 8.99262746496 -7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 16.2691799750 -0.861123974289 0.131186883282 6 11.5121945621 1.20427204035 2.028457912686E-02 6 14.1804039648 -2.43212467262 0.170027955664 6 15.9979271981 1.73975638478 9.085209513991E-02 6 13.6053532164 2.77244247494 2.499575182470E-02 6 11.7868447762 -1.39343219905 0.106330752902 1 14.4397111888 -4.43379554927 0.293347888880 1 17.6391790059 2.91927288464 0.155077522013 1 13.3297352136 4.77580185192 -5.280276989638E-03 1 10.1431555114 -2.56525744119 0.138937307621 16 19.3020004227 -2.18348775204 0.134299477251 8 20.9842079738 -0.325733494236 1.15270139607 8 19.0886880558 -4.66812122535 1.18366001761 7 20.0154046741 -2.51391842666 -2.79896253743 1 19.7140075146 -4.16469009410 -3.66423830225 1 21.0264342221 -1.18451012097 -3.67951649332 6 8.98524438142 2.40710164988 -4.683800638368E-02 8 8.62404088094 4.65762117820 -0.119145313158 8 7.09521260910 0.710056286046 -2.027193485411E-02 6 4.48588899364 1.61442012240 -6.043557639931E-02 1 4.18402977757 2.83160191470 1.54997335048 1 4.18851510037 2.69852442655 -1.76429702456 6 2.81774658260 -0.727728392362 3.131445935321E-02 1 3.26511634385 -1.91346199534 -1.57535965464 1 3.26258594609 -1.78075553052 1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 -1.67378352623 6.601676572586E-02 1 -0.468128283684 1.03824231167 -1.70442814436 1 -0.470300494955 1.17038221894 1.61582801791 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 17.9684279399 1.54301176377 -0.149693423226 6 13.6326730870 -1.30132688262 -2.138183749743E-02 6 15.6426740929 2.73563073422 -0.189786012449 6 18.1438750705 -1.06604052147 -9.962044033802E-02 6 15.9621451629 -2.49057033907 -2.523220981312E-02 6 13.4610204855 1.30509459913 -0.117287370756 1 15.5573431966 4.75166639252 -0.321088296824 1 19.9617870444 -1.94922244854 -0.163264253275 1 16.0314585342 -4.51140907128 1.239461845501E-02 1 11.6418341179 2.17978662007 -0.150641401029 16 20.7317846783 3.36204210634 -0.163987391502 8 22.7051478607 1.81249173186 -1.17548489088 8 20.0987699462 5.76903704384 -1.22508771415 7 21.3801516200 3.82469400623 2.76690153273 1 20.8048852121 5.40607792939 3.62309870587 1 22.6005200302 2.68935847433 3.65393602741 6 11.3472294671 -2.91626214998 5.651370344789E-02 8 9.19665552725 -1.56522590120 3.245613991045E-02 6 6.77856962350 -2.90016097853 8.749655544515E-02 1 6.67652246165 -4.14495637472 -1.52674105702 1 6.68550306343 -4.02593032336 1.78755983989 6 4.73704841955 -0.874096953142 1.969560988444E-02 1 4.98065500262 0.246176556333 -1.67702200013 1 4.98893864106 0.366141886882 1.62964287548 8 11.3745245833 -5.19521098803 0.135688264964 6 2.07271853085 -2.04310727132 6.880948422220E-02 1 1.85408721205 -3.17805095775 1.76397604453 1 1.84594669663 -3.29720682002 -1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 1.24962477650 1.61609500694 1 -1.86381093455 -0.848750824383 3.507941596838E-02 1 0.158113135931 1.12952769314 -1.70286806009 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 11-*- 11 (11)4-COOAm-benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 20.7940103927 -1.18292577645 0.135748344237 6 16.2553748543 1.32561650568 1.898358840442E-02 6 18.5653398548 -2.54782901355 0.185991958815 6 20.7714899222 1.43194635192 8.119491494154E-02 6 18.4881809521 2.68752983337 1.268047644927E-02 6 16.2816292072 -1.28621992460 0.119293218161 1 18.6330826801 -4.56430368467 0.320494210942 1 22.5176825572 2.45010794741 0.136961916771 1 18.4044365481 4.70774521966 -2.810073710092E-02 1 14.5338256999 -2.29576106594 0.160475355254 16 23.6871881374 -2.78742501086 0.142668366748 8 25.5411157417 -1.09148804236 1.14525598407 8 23.2417958312 -5.23383132605 1.20898679380 7 24.3589360690 -3.20370291968 -2.78991772878 1 23.9091509095 -4.82809819444 -3.64057141352 1 25.4806790933 -1.97605258766 -3.68426382740 6 13.8540126043 2.76296861394 -5.303453877654E-02 8 11.8120703378 1.25321399795 -2.008307004224E-02 6 9.29901118039 2.40045989565 -6.905102121977E-02 1 9.10783205313 3.63690786172 1.54345602431 1 9.11551718001 3.51245649883 -1.77073227684 6 7.41759711942 0.225163913710 8.381954772778E-03 1 7.75164296187 -0.869303738938 1.70652575015 1 7.75918159098 -0.994644284689 -1.60061304784 8 13.7086109469 5.03734953143 -0.135183415616 6 4.67345055952 1.19177646373 -3.443655708758E-02 1 4.36347393069 2.30467041402 -1.73186035831 1 4.35593551642 2.42824308851 1.57363269202 6 2.73979046465 -0.982603093803 4.252073111888E-02 1 3.05064854136 -2.21942573316 -1.56427419659 1 3.04356406783 -2.09606747732 1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 1.08637600396 -1.70287631133 1 -0.357289139629 1.20966193729 1.61602453331 1 -1.33734281519 -1.55130517970 5.488380719168E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 22.6680723895 1.90654821224 -0.175233423843 6 18.4884955220 -1.16205594440 -2.429127256041E-02 6 20.2830274345 2.97597725977 -0.173664688758 6 22.9799650421 -0.690079737778 -0.155208703405 6 20.8766221032 -2.22748679265 -6.903817015508E-02 6 18.1799381157 1.43239889865 -8.995095951044E-02 1 20.0909835172 4.98607533718 -0.281845826277 1 24.8405388049 -1.47638787062 -0.250726882769 1 21.0517072441 -4.24227251958 -5.371272626672E-02 1 16.3172055949 2.21104024810 -9.170563306660E-02 16 25.3324936821 3.86769909134 -0.204282249485 8 27.3689282330 2.43608131514 -1.26337330774 8 24.5588648910 6.25073611663 -1.22544756910 7 25.9991456410 4.32704671165 2.72259774632 1 25.3514763748 5.86285263510 3.60932921947 1 27.2925393220 3.24838521296 3.57606690334 6 16.2916230451 -2.89540499983 6.179565244721E-02 8 14.0727663740 -1.65964926922 7.242285012777E-02 6 11.7286122162 -3.12131087053 0.129207796905 1 11.6916371367 -4.36862899705 -1.48585984781 1 11.6980732731 -4.25127283221 1.82879684924 6 9.58109439663 -1.20776499556 6.511610601119E-02 1 9.76756866224 -7.139861485579E-02 -1.62808855633 1 9.76377736159 3.875539761361E-02 1.67952200771 8 16.4397777482 -5.17051756224 0.117582340473 6 6.98540215161 -2.52323506137 0.105275847922 1 6.82580399210 -3.67429399210 1.79800400123 1 6.83170567671 -3.78372128405 -1.50810456154 6 4.78702881724 -0.616612023999 3.768403587990E-02 1 4.93145580826 0.642205670084 1.65293843334 1 4.94358499840 0.538158692436 -1.65236070615 6 2.18592326697 -1.92237034783 6.880796847135E-02 1 2.02940000857 -3.07742276656 1.75724206468 1 2.04230086267 -3.18049871305 -1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 1.24972460005 1.62283624211 1 -1.81555813970 -0.949604486281 2.171294654113E-02 1 0.101559387270 1.14661307089 -1.69643499199 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 12.2734251286 0.428907088210 -3.130417300445E-02 6 7.16512558575 -0.605433656762 -0.183825719733 6 10.5713708299 2.37495748345 -0.399070980710 6 11.4474717344 -2.04279012262 0.176766780326 6 8.89344536670 -2.55194533980 9.586430260886E-02 6 8.01368059796 1.85426065145 -0.469957115655 1 11.2546633574 4.25736622768 -0.680203900338 1 12.7976479862 -3.53900012680 0.347716707934 1 8.19737481149 -4.44495294702 0.221953717805 1 6.71862383287 3.36899815646 -0.820375895056 16 15.5058925312 1.09988548484 0.139878058083 8 16.8322621021 -1.12838754297 -0.629587328980 8 15.8847585470 3.49504260894 -1.06180455980 7 16.0744500874 1.48770706952 3.09912365385 1 16.0632182407 3.22273094432 3.84357473139 1 16.7466970697 5.130502478586E-02 4.12393032748 6 4.42868586731 -1.35626047301 -0.252477484269 8 3.82938195486 -3.56208325758 -0.576406362775 7 2.71818896568 0.506140006335 9.280093005674E-02 1 3.27509805498 2.22468116302 0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 -1.90115557994 -0.684101664629 1 -0.922458262213 1.31460329988 -1.26745769935 1 -0.840700153890 0.156106480461 1.86072422508 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 13.4991057155 0.357473590767 -0.713811663238 6 8.48076024177 -0.503164540210 0.416629781928 6 11.8631397624 2.37874757162 -0.473562136431 6 12.6300343135 -2.09621222127 -0.471550344568 6 10.1214739007 -2.51780523488 9.207153793854E-02 6 9.35258280198 1.94453974915 9.759660250163E-02 1 12.5459565012 4.25659611519 -0.784414249864 1 13.8986334476 -3.64265027953 -0.771481617840 1 9.38607236031 -4.39164092392 0.267910179188 1 8.09763925784 3.52677510687 0.221740185849 16 16.6935460046 0.912646421298 -1.35805736093 8 17.6544840841 -1.28364835574 -2.61076734769 8 16.8676643394 3.38662077444 -2.44146121239 7 18.0366372567 1.03700758771 1.36404066179 1 18.3163089429 2.70480564337 2.20359468998 1 18.8696549651 -0.501492704799 2.07432409737 6 5.78952802473 -1.16981982693 1.02631101775 8 5.04502030288 -3.34753860849 0.814795268017 7 4.26922563055 0.704156458501 1.84300557024 1 4.93783248921 2.42933031646 2.15895801923 6 1.59945609057 0.196996634022 2.41475962510 1 1.48860461593 -1.55437999117 3.45794673312 1 0.926691554047 1.71487444573 3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 1.73213272312 -1.08507996536 1 -1.96325947579 -0.346439546764 0.473696207925 1 0.684941159121 -1.55321650721 -1.13775889828 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 16.3895792015 0.240489114104 -0.536193806704 6 11.2920888992 -0.451096170868 0.326090712247 6 14.8194157858 2.31710236513 -0.332180772567 6 15.4194231089 -2.18266311147 -0.390199489610 6 12.8721086867 -2.51961306172 4.014493484245E-02 6 12.2689440408 1.96736827272 0.104588496551 1 15.5860110543 4.17358955286 -0.566758904214 1 16.6431929451 -3.77015985899 -0.660657202547 1 12.0602052934 -4.36724803133 0.139997105688 1 11.0701659350 3.59425419512 0.203144347206 16 19.6304263353 0.686794962887 -1.01096050120 8 20.5702877543 -1.51578267698 -2.26860480338 8 19.9498684877 3.17604514588 -2.02400342944 7 20.8410111234 0.697292062619 1.77517976903 1 21.1380020961 2.33317949807 2.66979007743 1 21.5834993494 -0.887153761337 2.48491793384 6 8.55072081282 -1.02933075625 0.787372576289 8 7.74481307558 -3.17762575485 0.511396947249 7 7.05397038251 0.888627903207 1.54546896295 1 7.76234008752 2.58922394741 1.90477240945 6 4.34412151772 0.471267660613 1.97617977221 1 4.11567022133 -1.31564616149 2.93907082096 1 3.66918162500 1.96785234101 3.19655760703 6 2.83322401463 0.431124044979 -0.504279368481 1 3.11335731365 2.20436047481 -1.49304292078 1 3.57440415444 -1.07510116992 -1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 1.49697720468 1.17000519138 1 -0.298267921192 -1.78626047228 0.960482973300 1 -1.05317079190 -4.110766263255E-02 -1.75580559418 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 17.9683881599 0.297292077107 -1.27536857331 6 13.1074956167 -0.472207080671 0.453228519305 6 16.4795229986 2.34875635930 -0.647864180363 6 17.0206311288 -2.13415723988 -1.11906109396 6 14.5917090576 -2.50997045525 -0.254800853982 6 14.0483817764 1.95969349025 0.221879028027 1 17.2064313178 4.21995575715 -0.891477750401 1 18.1611556206 -3.69459587591 -1.71498801728 1 13.7960455627 -4.36328224970 -0.132995603972 1 12.9022737548 3.57153468866 0.648336550217 16 21.0720806852 0.788022958085 -2.30216806175 8 21.7468110653 -1.31897174983 -3.85840867623 8 21.2227851157 3.34246112332 -3.18367143395 7 22.7709964146 0.611425397042 0.210357613229 1 23.2419454469 2.18327885030 1.14424461781 1 23.6155189330 -1.01555484106 0.663326749229 6 10.4913649952 -1.09295624704 1.36656090135 8 9.63574908684 -3.22390935997 1.10529668512 7 9.16801166064 0.764206510305 2.50274977654 1 9.93546118641 2.44582902745 2.82792804056 6 6.57752127994 0.303665749238 3.38789268707 1 6.51903031968 -1.54105374663 4.26306789461 1 6.14310735722 1.71711069845 4.80129056636 6 4.64548715274 0.408008321980 1.22155256882 1 4.74877437287 2.24262500055 0.310278321539 1 5.15722580814 -1.01799017637 -0.154647286614 6 1.93810690142 -7.135985398158E-02 2.17182509407 1 1.44127945712 1.34174421826 3.57579700736 1 1.85954730813 -1.90266503311 3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 1.83021062745 -0.923376785869 1 -1.89573167271 -0.347838378411 0.695134146311 1 0.441627040364 -1.42860412068 -1.40142839635 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 20.7991290262 -0.173784562617 0.967430943750 6 15.8208872142 0.493809018334 -0.438608973922 6 19.3262977014 -2.25396162951 0.398797961368 6 19.7814511456 2.23370706654 0.914828584962 6 17.2935652430 2.55864272562 0.212496983470 6 16.8360353316 -1.91574159282 -0.309779724471 1 20.1142731917 -4.10895290340 0.564237775091 1 20.9173363920 3.81385503923 1.46592508350 1 16.4442776257 4.39176179105 0.176203941180 1 15.7049640512 -3.54969525139 -0.689919799457 16 23.9730508168 -0.598035781202 1.78812191880 8 24.6931739735 1.50517256805 3.32907555178 8 24.2435498230 -3.15901002899 2.62060021432 7 25.5033852023 -0.345442345150 -0.824002123731 1 25.9537944258 -1.89269407830 -1.80776047178 1 26.2758209659 1.30859530159 -1.30662787836 6 13.1364605614 1.05636550436 -1.17304363784 8 12.2342106329 3.15067883783 -0.798066467619 7 11.8045299533 -0.811050923403 -2.28280920599 1 12.6074301426 -2.45211797021 -2.71333127911 6 9.14976160456 -0.415244685406 -2.99139374910 1 8.97576642824 1.45199356268 -3.80070440505 1 8.67465458601 -1.79959917137 -4.42036175613 6 7.36177114450 -0.653459671476 -0.714423221458 1 7.91441927685 0.744818521689 0.674421622847 1 7.58140029875 -2.51170351436 0.125580462120 6 4.58736232398 -0.234912622601 -1.48206692652 1 4.39235199539 1.62338779407 -2.33305194788 1 4.04706318167 -1.61793167812 -2.90215796291 6 2.76982943896 -0.437731877559 0.782841872202 1 3.30844365759 0.941827465806 2.20173367200 1 2.95663454185 -2.29447008586 1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 1.86570407362 -0.817672243790 1 -1.25343256978 -0.149457481471 1.61416779080 1 -0.583961285311 -1.38598079582 -1.39357136739 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 22.5771469666 1.15315062242 -1.33850011954 6 17.8425169573 -0.576156120662 2.234632623383E-03 6 21.1633719312 2.48100690435 0.409962720559 6 21.6107089723 -0.989908679563 -2.48228696960 6 19.2440933876 -1.84630992232 -1.80831765324 6 18.7957098516 1.60947522179 1.08290543351 1 21.8946454585 4.19945910018 1.18536236676 1 22.6855831307 -1.93339152381 -3.91236744583 1 18.4339240240 -3.48182972505 -2.67523222275 1 17.7008464917 2.68987866802 2.39737300535 16 25.6065323789 2.21318301591 -2.12963917739 8 26.1459122384 1.31654885736 -4.62396311682 8 25.7256214254 4.83779591130 -1.48007485887 7 27.4751893457 0.743706108843 -0.237803865057 1 28.0301701289 1.56579060238 1.36866835464 1 28.3270991466 -0.844667304544 -0.800499116961 6 15.2894950371 -1.66650661716 0.597501874580 8 14.3687896107 -3.29889550467 -0.754640571509 7 14.1000853631 -0.805668522375 2.68023465397 1 14.9377893462 0.404137958512 3.84561620167 6 11.5717591707 -1.74173503480 3.34228248627 1 11.5333026393 -3.75907383560 3.02446283844 1 11.2783293185 -1.38337013554 5.33468474421 6 9.48677589010 -0.474256852886 1.76614598946 1 9.86157341390 -0.860340863107 -0.208498546579 1 9.56627349941 1.55562313317 2.04857411438 6 6.84855323045 -1.47113086062 2.48064608058 1 6.79648913596 -3.50501120231 2.20511689137 1 6.49229173351 -1.11341496630 4.47217285833 6 4.73751179529 -0.241051054790 0.898179482966 1 5.09253015610 -0.596968801207 -1.09184063865 1 4.78211518922 1.79347499883 1.17152183930 6 2.09502690272 -1.24324747214 1.59513297750 1 2.05024617966 -3.27578983933 1.31947880152 1 1.74096952081 -0.890659058047 3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 2.03079721447 0.281447018883 1 -1.84622701379 -0.726603423243 0.512706719913 1 0.300397382099 -0.366813160548 -1.99443311341 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 25.3713425036 1.29078949634 -0.355162756323 6 20.4999091352 -0.573560077356 -0.364133120434 6 23.9743069632 1.31357807398 1.85095938988 6 24.3252994282 0.415369237348 -2.58530943683 6 21.8910263201 -0.513406735149 -2.58161342663 6 21.5377263326 0.374782138985 1.84407022859 1 24.7750487130 2.10650345747 3.53005203392 1 25.3946688774 0.512004923803 -4.29936626465 1 21.0202154713 -1.18149772339 -4.27815360199 1 20.4612990421 0.457447519092 3.55525533127 16 28.4826686810 2.40691226463 -0.326907266351 8 29.0575208275 3.24882881774 -2.83235788148 8 28.7292616886 4.02045594705 1.83191149933 7 30.1958247445 -4.659798221744E-02 0.196814783951 1 30.7416402004 -0.458650792246 1.95662063897 1 30.9742895925 -0.978036517171 -1.24950605113 6 17.8685695062 -1.62069402182 -0.569037022625 8 16.9121337151 -1.98640308405 -2.64084945189 7 16.6475838091 -2.16728923214 1.59968433242 1 17.5026399508 -2.00396757565 3.26264024246 6 14.0471178299 -3.13731508438 1.54317890412 1 13.9081475080 -4.50575166986 3.317958501066E-02 1 13.6971642834 -4.08287469466 3.32301791741 6 12.0992929940 -1.02487542427 1.11703967027 1 12.5281848996 -0.117796579141 -0.666940159516 1 12.2815924673 0.373262443907 2.60660342009 6 9.38368726187 -2.06734240350 1.06370511801 1 9.22904530181 -3.47641655650 -0.421514153709 1 8.97012908132 -3.00584669183 2.84391203155 6 7.40761134032 2.081885259197E-02 0.604515659145 1 7.82188979387 0.959523171789 -1.17316216804 1 7.55506462234 1.43154567156 2.08911482546 6 4.68976064388 -1.01856155618 0.532987082800 1 4.54337076001 -2.42907817719 -0.951893386632 1 4.27548433984 -1.96002534321 2.31043907566 6 2.70945778986 1.06451077238 7.050369403612E-02 1 2.85286386444 2.47488702954 1.55389920638 1 3.12196207310 2.00541446888 -1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 -0.913671943654 1.77644025194 1 -0.190421763470 -1.38528862659 -1.49931725663 1 -1.36920746468 1.48906274881 -0.327953965063 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 12.5848445143 2.214831781233E-02 -0.556478258224 6 8.69629195296 -3.40602497997 5.723269936448E-02 6 13.0257444660 -2.53110666373 -0.924846545706 6 10.2258217623 0.866190015754 0.165582797618 6 8.28185444517 -0.853555466819 0.454524385523 6 11.0752006661 -4.24356771448 -0.624737865128 1 14.8911255628 -3.15299343644 -1.39958311957 1 9.89112732565 2.82590885257 0.539846964711 1 11.4157005609 -6.21883734829 -0.902133464441 1 7.16503331060 -4.69948758572 0.303795202784 16 15.0393697888 2.18719521168 -0.989246819228 8 14.5163597802 4.32176875309 0.587354319110 8 17.3553269395 0.795702486332 -0.818726761991 7 14.7793750463 3.13293192845 -3.86512438104 1 15.7869088360 2.30163480721 -5.22822520803 1 13.8652542551 4.74069977974 -4.24633706113 6 5.78139757667 0.128556785263 1.21687856315 8 5.31207400689 2.33359527611 1.57362483306 8 4.05083479163 -1.71490480194 1.47826749077 6 1.48156234900 -1.03892914755 2.24569554271 1 1.58880816976 0.335516262492 3.74723401970 1 0.695367135881 -2.78399483377 2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 1.76544969427 -0.618730938225 1 -1.94555130859 0.332575243843 0.546772369514 1 3.204009288675E-02 -1.34080948406 -1.54460114417 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 12.8890154116 -0.705277880383 -1.14720179930 6 8.63769836124 -3.13049528123 0.667661770817 6 12.7319518701 -3.31575026979 -1.24953250550 6 10.9569225116 0.695766556321 -9.751807067616E-02 6 8.82613167454 -0.523894116806 0.792591324657 6 10.5992603324 -4.52600049228 -0.347345586450 1 14.2899506016 -4.37073958544 -1.99215015759 1 11.1015200706 2.70670044967 6.927699906552E-02 1 10.4790321405 -6.54467146322 -0.418442390861 1 6.97610510274 -4.03068091841 1.38023898390 16 15.5627490576 0.822518029860 -2.33749544115 8 15.8229282919 3.15406888960 -0.991452102556 8 17.5437523161 -1.02001916354 -2.43592096346 7 14.8684985712 1.53647032143 -5.20844295944 1 15.3767252852 0.386655890843 -6.61698140507 1 14.2248344825 3.26408243787 -5.61723200204 6 6.79347179930 1.04660415182 1.88860309653 8 6.85484558388 3.32298080002 2.03527859933 8 4.83213012733 -0.343458562873 2.71902399181 6 2.67074070889 0.942294741451 3.87107068777 1 3.36885866078 2.40278957263 5.11116789488 1 1.73854892126 -0.517937139307 4.94237350117 6 0.939722951498 2.04419227640 1.84067995763 1 1.95933960265 3.50453225416 0.835936877146 1 -0.651647293680 2.92949001440 2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 -0.926345928488 -0.897351059817 1 -1.18541346184 0.819158338947 -1.45510065788 1 -1.09455253252 -1.42063673159 0.994146730604 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 14.6470472295 7.927582673955E-02 -1.80388763872 6 11.0622537716 -3.27640760804 -3.297672786334E-02 6 14.7369160592 -2.43215177975 -2.53444551673 6 12.8070002392 0.912058450381 -0.154696461770 6 11.0072899085 -0.769206969645 0.713259671910 6 12.9364096564 -4.10752092444 -1.65236698309 1 16.2316861745 -3.05537583528 -3.74640500018 1 12.7765418719 2.82982636485 0.488648395220 1 13.0085282876 -6.05136023195 -2.20986983423 1 9.65703039613 -4.54278939690 0.674485001885 16 16.8933356488 2.20308237715 -2.96282720847 8 17.1654544206 4.16922825102 -1.12553453199 8 18.9940820965 0.731414937095 -3.82882717480 7 15.6175472951 3.46311887774 -5.41587468911 1 15.9629473681 2.75343817166 -7.13085232509 1 14.7456722210 5.13162497330 -5.26853072316 6 9.06040892940 0.201291984067 2.46474864871 8 8.91665151407 2.36805020959 3.16600142043 8 7.43567148504 -1.60759380764 3.21024508761 6 5.40076218187 -0.941573563734 4.96333502457 1 6.16223386958 0.282504725278 6.40561520272 1 4.83637016269 -2.72590185916 5.76743153053 6 3.22465398359 0.335499112468 3.56255615145 1 3.88723544293 2.11837323163 2.80741591652 1 1.74866488564 0.745640292260 4.92795366683 6 2.15777787507 -1.32856537299 1.43129092786 1 3.66996182072 -1.79605579868 0.134672107749 1 1.47023890202 -3.09083857609 2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 1.74919959851 -0.839514279590 1 -1.54647644809 0.446140232212 1.26996230476 1 -0.727968804225 -1.19296015340 -1.49826125964 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 15.5857849743 -2.50320656099 -0.283104929214 6 11.9477519901 -0.265601364238 -3.28437285011 6 15.1955234303 -3.36567685925 -2.72303913602 6 14.2038763741 -0.497554258416 0.647661747916 6 12.3742206362 0.605351099315 -0.854284478855 6 13.3682924883 -2.24861319012 -4.21990499323 1 16.3483931819 -4.86699644976 -3.43623300903 1 14.5543395539 0.237668026400 2.49948825580 1 13.0702409063 -2.90891395441 -6.10928177806 1 10.5310380305 0.627420012301 -4.41320849100 16 17.8598567324 -3.95209746352 1.62172524400 8 18.7246316588 -2.10003952192 3.39305718978 8 19.5485828687 -5.27043805899 -3.332421045498E-02 7 16.3526751617 -6.05530532866 3.21458285065 1 16.2877289981 -7.83925689734 2.60008498958 1 15.7620921959 -5.66282364226 4.96475175520 6 10.9261991062 2.73934165237 0.217717962227 8 11.2112867513 3.56550578716 2.32576443131 8 9.22808002934 3.68331144731 -1.42320904916 6 7.65066414100 5.81774380506 -0.640304126689 1 8.82071748940 7.15621820509 0.358783329084 1 6.99270053459 6.61630905892 -2.39477751901 6 5.46203196849 4.91892323018 1.01274104247 1 6.22602062455 4.15077443319 2.74881388687 1 4.32660876757 6.55719901915 1.50059706313 6 3.81022818439 2.93864875015 -0.328451222165 1 4.98612332835 1.35786442271 -0.886479934850 1 3.02892012671 3.75377032467 -2.04422241597 6 1.63642050633 1.98970683456 1.35674452754 1 2.41628486484 1.18059849219 3.07320260399 1 0.462496694661 3.57825723366 1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 -1.62193403769 -0.534071373188 1 -1.51941548009 -0.652609453841 1.20996019667 1 -0.830356562624 0.787529838203 -1.70103117294 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 25-*- 25 (25)2-COOMe-benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 5.04401540573 -5.065785560124E-17 8.565768416162E-02 6 9.27990108396 -9.396277336371E-17 -2.94283641892 6 6.11045552513 -2.27247789332 -0.644730598780 6 6.11045552513 2.27247789332 -0.644730598780 6 8.22908048709 2.26870089799 -2.17155776959 6 8.22908048709 -2.26870089799 -2.17155776959 1 5.30807717985 -4.00751998316 1.696942951703E-02 1 5.30807717985 4.00751998316 1.696942951703E-02 1 9.06580730279 4.02284755065 -2.73828333892 1 9.06580730279 -4.02284755065 -2.73828333892 1 10.9268739609 -1.108006638944E-16 -4.12165702328 16 2.32566022845 -2.288454205577E-17 1.95862643609 8 2.24799399215 2.36940193927 3.26556451771 8 2.24799399215 -2.36940193927 3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 -1.62837329388 -0.493096431600 1 -0.817594738155 1.62837329388 -0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 8.11007909745 8.556435899195E-18 0.100897097935 6 2.86329951331 2.922536611154E-18 7.349736953064E-02 6 6.80777063774 2.26567639154 0.121232299609 6 6.80777063774 -2.26567639154 0.121232299609 6 4.19897121896 -2.25839811190 9.895828809266E-02 6 4.19897121896 2.25839811190 9.895828809266E-02 1 7.83682406515 4.00573551491 0.201208431763 1 7.83682406515 -4.00573551491 0.201208431763 1 3.19435364603 -4.01778780932 0.125815986880 1 3.19435364603 4.01778780932 0.125815986880 16 11.4059109298 1.222287901647E-17 6.903234852523E-02 8 12.2226557176 -2.36966347735 1.09351831769 8 12.2226557176 2.36966347735 1.09351831769 7 12.1903871090 2.070990068685E-17 -2.87084462677 1 12.5792272181 1.62848573258 -3.74230825804 1 12.5792272181 -1.62848573258 -3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 4.336273740756E-18 -1.94437378897 1 -0.758564487207 -1.65923610975 0.927043031519 1 -0.758564487207 1.65923610975 0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 9.49515614095 -1.986230634504E-17 -0.330909318726 6 4.54766506655 1.418482302241E-17 1.41449070261 6 8.25938767444 -2.26624765571 7.914581718090E-02 6 8.25938767444 2.26624765571 7.914581718090E-02 6 5.80247435955 2.25843288285 0.956589914867 6 5.80247435955 -2.25843288285 0.956589914867 1 9.20891937494 -4.00630432243 -0.325801090800 1 9.20891937494 4.00630432243 -0.325801090800 1 4.84800788582 4.01788928760 1.27432519389 1 4.84800788582 -4.01788928760 1.27432519389 16 12.6215076530 -4.047871219384E-17 -1.37421975164 8 13.0597966465 2.36964987132 -2.60912294465 8 13.0597966465 -2.36964987132 -2.60912294465 7 14.3219760733 -5.129921083899E-18 1.14895839935 1 14.9723537348 -1.62851785792 1.84712919698 1 14.9723537348 1.62851785792 1.84712919698 6 1.82011448549 3.162508651201E-17 2.28845439361 1 1.46450096442 1.65231782291 3.44535547264 1 1.46450096442 -1.65231782291 3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 1.65855864299 -1.15861699465 1 0.312880607522 -1.65855864299 -1.15861699465 1 -1.95068478995 1.250653597013E-17 0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 12.3462848294 -8.276065163872E-20 -0.219629035968 6 7.27697590475 1.666425406161E-18 1.13352461031 6 11.0821729337 -2.26629036351 9.228879249722E-02 6 11.0821729337 2.26629036351 9.228879249722E-02 6 8.56408820998 2.25853587292 0.774654122839 6 8.56408820998 -2.25853587292 0.774654122839 1 12.0604999845 -4.00629846428 -0.237334526856 1 12.0604999845 4.00629846428 -0.237334526856 1 7.58747623906 4.01782409206 1.01660875510 1 7.58747623906 -4.01782409206 1.01660875510 16 15.5446672699 -1.106855929460E-18 -1.01482146618 8 16.0785895276 2.36961755701 -2.21160547802 8 16.0785895276 -2.36961755701 -2.21160547802 7 17.0423265084 2.516184840979E-18 1.63372129060 1 17.6356158799 -1.62852220429 2.38095755132 1 17.6356158799 1.62852220429 2.38095755132 6 4.48973225005 2.504801715792E-18 1.78668016231 1 4.03784923022 1.65364233185 2.91036104922 1 4.03784923022 -1.65364233185 2.91036104922 6 2.84178543494 -8.061817684800E-19 -0.630150435706 1 3.30689183592 1.64977444070 -1.75284818480 1 3.30689183592 -1.64977444070 -1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 1.66081705451 1.09295879416 1 -1.12447528227 -2.345093436379E-18 -1.71233470070 1 -0.500643208584 -1.66081705451 1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 14.1238159113 1.214503673567E-17 -0.678437661017 6 9.44100667607 7.329180195868E-17 1.68836769331 6 12.9508759688 -2.26624992338 -0.112955994743 6 12.9508759688 2.26624992338 -0.112955994743 6 10.6269754875 2.25848844080 1.07270695836 6 10.6269754875 -2.25848844080 1.07270695836 1 13.8404298349 -4.00630337757 -0.636723693997 1 13.8404298349 4.00630337757 -0.636723693997 1 9.72086351835 4.01774604637 1.51016368205 1 9.72086351835 -4.01774604637 1.51016368205 16 17.0896510524 -2.469474469544E-17 -2.11542048055 8 17.3657436482 2.36962001365 -3.39654871916 8 17.3657436482 -2.36962001365 -3.39654871916 7 19.1011870389 4.944166890890E-17 0.167534197609 1 19.8356986120 -1.62853921182 0.776447021723 1 19.8356986120 1.62853921182 0.776447021723 6 6.84711615725 1.041405701228E-16 2.90008400935 1 6.63682781461 -1.65387609096 4.09248466188 1 6.63682781461 1.65387609096 4.09248466188 6 4.74105840551 3.748430357849E-17 0.870168924938 1 4.96583213621 -1.65095665328 -0.325145161310 1 4.96583213621 1.65095665328 -0.325145161310 6 2.07671001580 6.693452376398E-17 2.04129882743 1 1.86017810411 -1.65244972578 3.23844110052 1 1.86017810411 1.65244972578 3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 -1.66008648645 -1.19157111842 1 -1.86482588637 2.150045959666E-17 0.848869041688 1 0.161115980412 1.66008648645 -1.19157111842 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 6-*- 6 (6)4-Am-Benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 16.9068057473 0.243177970445 -1.059325119563E-16 6 12.0155875324 -1.65600530852 -7.874007219591E-16 6 15.7028346951 -0.252939874960 -2.26622819153 6 15.7028346951 -0.252939874960 2.26622819153 6 13.2672687790 -1.18799231963 2.25851621977 6 13.2672687790 -1.18799231963 -2.25851621977 1 16.6905927723 4.935959543974E-02 -4.00587781127 1 16.6905927723 4.935959543974E-02 4.00587781127 1 12.3418929399 -1.58361797677 4.01758126227 1 12.3418929399 -1.58361797677 -4.01758126227 16 19.9613139677 1.48061075670 3.396565444380E-16 8 21.0975033451 0.827628604396 2.36965497358 8 21.0975033451 0.827628604396 -2.36965497358 7 19.6140817394 4.50363661503 1.520890767875E-15 1 19.6563448244 5.45686048237 -1.62850009449 1 19.6563448244 5.45686048237 1.62850009449 6 9.31463490683 -2.60509907624 -1.124910972962E-15 1 8.98767928251 -3.77103356608 -1.65353820795 1 8.98767928251 -3.77103356608 1.65353820795 6 7.41754404250 -0.378508099205 -2.354035425308E-16 1 7.75886683358 0.788097380015 -1.65185162751 1 7.75886683358 0.788097380015 1.65185162751 6 4.65268631611 -1.28701345345 -5.563510498846E-16 1 4.32004736793 -2.45842354097 -1.65339251008 1 4.32004736793 -2.45842354097 1.65339251008 6 2.76072678768 0.925807775628 3.277337893163E-16 1 3.09073708924 2.09665994535 -1.65204135600 1 3.09073708924 2.09665994535 1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 -1.14184653845 -1.66034613480 1 -1.30590878374 1.57901648689 6.303379891292E-16 1 -0.377248445559 -1.14184653845 1.66034613480 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 12.0127056291 -0.467319191248 0.111806432972 6 6.97352093600 0.759917308701 4.748266917407E-02 6 10.2217532895 -2.37079219426 0.152809003460 6 11.3033419938 2.04980757052 9.307700569057E-02 6 8.76972951282 2.66113662451 5.092383423729E-02 6 7.68607351310 -1.75397861179 0.112223563757 1 10.8183018721 -4.29997421278 0.259688127616 1 12.7207799808 3.49060386186 0.155267676093 1 8.15790328645 4.58878364063 3.776105769249E-02 1 6.26630294078 -3.18887845369 0.146456888627 16 15.2263520177 -1.25494370756 8.406950718910E-02 8 16.5763713396 0.857729096636 1.09992283794 8 15.4471228542 -3.74394477194 1.12115495093 7 15.9595091226 -1.44681230628 -2.85648386684 1 15.9368640683 -3.12142107712 -3.72820018659 1 16.7225609771 3.868535428217E-02 -3.73740008869 6 4.28110783217 1.51706821998 4.380793909740E-03 8 3.53735775286 3.67127241182 -4.627237069106E-02 8 2.70645115658 -0.479140449071 2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 1.08656629775 1.64022531142 1 -0.866069129495 -1.83937203385 2.906081667564E-02 1 -0.516390062658 1.02531407580 -1.68530034526 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 9.25649635012 1.80846527957 9.292601243073E-02 6 4.49653007628 -0.252386364964 5.563329730033E-02 6 8.97661510100 -0.790299344150 0.119114341606 6 7.17209172246 3.38798511785 0.102169685012 6 4.78224687467 2.34735739516 7.329320901833E-02 6 6.58177520099 -1.82758693433 9.237860791359E-02 1 10.6170947155 -1.96958871556 0.204027651419 1 7.43391914542 5.39176377246 0.175377186833 1 3.13114524169 3.51529832560 8.157662744579E-02 1 6.31465409765 -3.82860234946 0.115984151186 16 12.2941652834 3.11903583590 4.829871274683E-02 8 12.1064542125 5.60990047425 1.08680327140 8 13.9812398042 1.25851015147 1.05437846650 7 12.9682120575 3.43319864541 -2.89600901229 1 13.9516579638 2.09107340260 -3.78830088073 1 12.6725674087 5.08557002470 -3.76041888038 6 1.89086902464 -1.27466774715 2.847109335790E-02 8 1.83775228380 -3.81438709360 3.668617006514E-02 6 -0.611334772331 -5.09553939230 2.759474634627E-02 1 -1.67193584771 -4.49484752416 1.66284241111 1 -1.63290597596 -4.54650767572 -1.65033477868 6 -2.628882640013E-02 -7.90958602311 7.826139859268E-02 1 1.04055063371 -8.37091267308 1.76016592182 1 1.08118978950 -8.42305482102 -1.56183569609 1 -1.76381943467 -8.99262746496 7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 16.2691799750 0.861123974289 -0.131186883282 6 11.5121945621 -1.20427204035 -2.028457912686E-02 6 14.1804039648 2.43212467262 -0.170027955664 6 15.9979271981 -1.73975638478 -9.085209513991E-02 6 13.6053532164 -2.77244247494 -2.499575182470E-02 6 11.7868447762 1.39343219905 -0.106330752902 1 14.4397111888 4.43379554927 -0.293347888880 1 17.6391790059 -2.91927288464 -0.155077522013 1 13.3297352136 -4.77580185192 5.280276989638E-03 1 10.1431555114 2.56525744119 -0.138937307621 16 19.3020004227 2.18348775204 -0.134299477251 8 20.9842079738 0.325733494236 -1.15270139607 8 19.0886880558 4.66812122535 -1.18366001761 7 20.0154046741 2.51391842666 2.79896253743 1 19.7140075146 4.16469009410 3.66423830225 1 21.0264342221 1.18451012097 3.67951649332 6 8.98524438142 -2.40710164988 4.683800638368E-02 8 8.62404088094 -4.65762117820 0.119145313158 8 7.09521260910 -0.710056286046 2.027193485411E-02 6 4.48588899364 -1.61442012240 6.043557639931E-02 1 4.18402977757 -2.83160191470 -1.54997335048 1 4.18851510037 -2.69852442655 1.76429702456 6 2.81774658260 0.727728392362 -3.131445935321E-02 1 3.26511634385 1.91346199534 1.57535965464 1 3.26258594609 1.78075553052 -1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 1.67378352623 -6.601676572586E-02 1 -0.468128283684 -1.03824231167 1.70442814436 1 -0.470300494955 -1.17038221894 -1.61582801791 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 17.9684279399 -1.54301176377 0.149693423226 6 13.6326730870 1.30132688262 2.138183749743E-02 6 15.6426740929 -2.73563073422 0.189786012449 6 18.1438750705 1.06604052147 9.962044033802E-02 6 15.9621451629 2.49057033907 2.523220981312E-02 6 13.4610204855 -1.30509459913 0.117287370756 1 15.5573431966 -4.75166639252 0.321088296824 1 19.9617870444 1.94922244854 0.163264253275 1 16.0314585342 4.51140907128 -1.239461845501E-02 1 11.6418341179 -2.17978662007 0.150641401029 16 20.7317846783 -3.36204210634 0.163987391502 8 22.7051478607 -1.81249173186 1.17548489088 8 20.0987699462 -5.76903704384 1.22508771415 7 21.3801516200 -3.82469400623 -2.76690153273 1 20.8048852121 -5.40607792939 -3.62309870587 1 22.6005200302 -2.68935847433 -3.65393602741 6 11.3472294671 2.91626214998 -5.651370344789E-02 8 9.19665552725 1.56522590120 -3.245613991045E-02 6 6.77856962350 2.90016097853 -8.749655544515E-02 1 6.67652246165 4.14495637472 1.52674105702 1 6.68550306343 4.02593032336 -1.78755983989 6 4.73704841955 0.874096953142 -1.969560988444E-02 1 4.98065500262 -0.246176556333 1.67702200013 1 4.98893864106 -0.366141886882 -1.62964287548 8 11.3745245833 5.19521098803 -0.135688264964 6 2.07271853085 2.04310727132 -6.880948422220E-02 1 1.85408721205 3.17805095775 -1.76397604453 1 1.84594669663 3.29720682002 1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 -1.24962477650 -1.61609500694 1 -1.86381093455 0.848750824383 -3.507941596838E-02 1 0.158113135931 -1.12952769314 1.70286806009 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 11-*- 11 (11)4-COOAm-benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 20.7940103927 1.18292577645 -0.135748344237 6 16.2553748543 -1.32561650568 -1.898358840442E-02 6 18.5653398548 2.54782901355 -0.185991958815 6 20.7714899222 -1.43194635192 -8.119491494154E-02 6 18.4881809521 -2.68752983337 -1.268047644927E-02 6 16.2816292072 1.28621992460 -0.119293218161 1 18.6330826801 4.56430368467 -0.320494210942 1 22.5176825572 -2.45010794741 -0.136961916771 1 18.4044365481 -4.70774521966 2.810073710092E-02 1 14.5338256999 2.29576106594 -0.160475355254 16 23.6871881374 2.78742501086 -0.142668366748 8 25.5411157417 1.09148804236 -1.14525598407 8 23.2417958312 5.23383132605 -1.20898679380 7 24.3589360690 3.20370291968 2.78991772878 1 23.9091509095 4.82809819444 3.64057141352 1 25.4806790933 1.97605258766 3.68426382740 6 13.8540126043 -2.76296861394 5.303453877654E-02 8 11.8120703378 -1.25321399795 2.008307004224E-02 6 9.29901118039 -2.40045989565 6.905102121977E-02 1 9.10783205313 -3.63690786172 -1.54345602431 1 9.11551718001 -3.51245649883 1.77073227684 6 7.41759711942 -0.225163913710 -8.381954772778E-03 1 7.75164296187 0.869303738938 -1.70652575015 1 7.75918159098 0.994644284689 1.60061304784 8 13.7086109469 -5.03734953143 0.135183415616 6 4.67345055952 -1.19177646373 3.443655708758E-02 1 4.36347393069 -2.30467041402 1.73186035831 1 4.35593551642 -2.42824308851 -1.57363269202 6 2.73979046465 0.982603093803 -4.252073111888E-02 1 3.05064854136 2.21942573316 1.56427419659 1 3.04356406783 2.09606747732 -1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 -1.08637600396 1.70287631133 1 -0.357289139629 -1.20966193729 -1.61602453331 1 -1.33734281519 1.55130517970 -5.488380719168E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 22.6680723895 1.90654821224 -0.175233423843 6 18.4884955220 -1.16205594440 -2.429127256041E-02 6 20.2830274345 2.97597725977 -0.173664688758 6 22.9799650421 -0.690079737778 -0.155208703405 6 20.8766221032 -2.22748679265 -6.903817015508E-02 6 18.1799381157 1.43239889865 -8.995095951044E-02 1 20.0909835172 4.98607533718 -0.281845826277 1 24.8405388049 -1.47638787062 -0.250726882769 1 21.0517072441 -4.24227251958 -5.371272626672E-02 1 16.3172055949 2.21104024810 -9.170563306660E-02 16 25.3324936821 3.86769909134 -0.204282249485 8 27.3689282330 2.43608131514 -1.26337330774 8 24.5588648910 6.25073611663 -1.22544756910 7 25.9991456410 4.32704671165 2.72259774632 1 25.3514763748 5.86285263510 3.60932921947 1 27.2925393220 3.24838521296 3.57606690334 6 16.2916230451 -2.89540499983 6.179565244721E-02 8 14.0727663740 -1.65964926922 7.242285012777E-02 6 11.7286122162 -3.12131087053 0.129207796905 1 11.6916371367 -4.36862899705 -1.48585984781 1 11.6980732731 -4.25127283221 1.82879684924 6 9.58109439663 -1.20776499556 6.511610601119E-02 1 9.76756866224 -7.139861485579E-02 -1.62808855633 1 9.76377736159 3.875539761361E-02 1.67952200771 8 16.4397777482 -5.17051756224 0.117582340473 6 6.98540215161 -2.52323506137 0.105275847922 1 6.82580399210 -3.67429399210 1.79800400123 1 6.83170567671 -3.78372128405 -1.50810456154 6 4.78702881724 -0.616612023999 3.768403587990E-02 1 4.93145580826 0.642205670084 1.65293843334 1 4.94358499840 0.538158692436 -1.65236070615 6 2.18592326697 -1.92237034783 6.880796847135E-02 1 2.02940000857 -3.07742276656 1.75724206468 1 2.04230086267 -3.18049871305 -1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 1.24972460005 1.62283624211 1 -1.81555813970 -0.949604486281 2.171294654113E-02 1 0.101559387270 1.14661307089 -1.69643499199 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 12.2734251286 -0.428907088210 3.130417300445E-02 6 7.16512558575 0.605433656762 0.183825719733 6 10.5713708299 -2.37495748345 0.399070980710 6 11.4474717344 2.04279012262 -0.176766780326 6 8.89344536670 2.55194533980 -9.586430260886E-02 6 8.01368059796 -1.85426065145 0.469957115655 1 11.2546633574 -4.25736622768 0.680203900338 1 12.7976479862 3.53900012680 -0.347716707934 1 8.19737481149 4.44495294702 -0.221953717805 1 6.71862383287 -3.36899815646 0.820375895056 16 15.5058925312 -1.09988548484 -0.139878058083 8 16.8322621021 1.12838754297 0.629587328980 8 15.8847585470 -3.49504260894 1.06180455980 7 16.0744500874 -1.48770706952 -3.09912365385 1 16.0632182407 -3.22273094432 -3.84357473139 1 16.7466970697 -5.130502478586E-02 -4.12393032748 6 4.42868586731 1.35626047301 0.252477484269 8 3.82938195486 3.56208325758 0.576406362775 7 2.71818896568 -0.506140006335 -9.280093005674E-02 1 3.27509805498 -2.22468116302 -0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 1.90115557994 0.684101664629 1 -0.922458262213 -1.31460329988 1.26745769935 1 -0.840700153890 -0.156106480461 -1.86072422508 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 13.4991057155 0.357473590767 -0.713811663238 6 8.48076024177 -0.503164540210 0.416629781928 6 11.8631397624 2.37874757162 -0.473562136431 6 12.6300343135 -2.09621222127 -0.471550344568 6 10.1214739007 -2.51780523488 9.207153793854E-02 6 9.35258280198 1.94453974915 9.759660250163E-02 1 12.5459565012 4.25659611519 -0.784414249864 1 13.8986334476 -3.64265027953 -0.771481617840 1 9.38607236031 -4.39164092392 0.267910179188 1 8.09763925784 3.52677510687 0.221740185849 16 16.6935460046 0.912646421298 -1.35805736093 8 17.6544840841 -1.28364835574 -2.61076734769 8 16.8676643394 3.38662077444 -2.44146121239 7 18.0366372567 1.03700758771 1.36404066179 1 18.3163089429 2.70480564337 2.20359468998 1 18.8696549651 -0.501492704799 2.07432409737 6 5.78952802473 -1.16981982693 1.02631101775 8 5.04502030288 -3.34753860849 0.814795268017 7 4.26922563055 0.704156458501 1.84300557024 1 4.93783248921 2.42933031646 2.15895801923 6 1.59945609057 0.196996634022 2.41475962510 1 1.48860461593 -1.55437999117 3.45794673312 1 0.926691554047 1.71487444573 3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 1.73213272312 -1.08507996536 1 -1.96325947579 -0.346439546764 0.473696207925 1 0.684941159121 -1.55321650721 -1.13775889828 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 16.3895792015 0.240489114104 -0.536193806704 6 11.2920888992 -0.451096170868 0.326090712247 6 14.8194157858 2.31710236513 -0.332180772567 6 15.4194231089 -2.18266311147 -0.390199489610 6 12.8721086867 -2.51961306172 4.014493484245E-02 6 12.2689440408 1.96736827272 0.104588496551 1 15.5860110543 4.17358955286 -0.566758904214 1 16.6431929451 -3.77015985899 -0.660657202547 1 12.0602052934 -4.36724803133 0.139997105688 1 11.0701659350 3.59425419512 0.203144347206 16 19.6304263353 0.686794962887 -1.01096050120 8 20.5702877543 -1.51578267698 -2.26860480338 8 19.9498684877 3.17604514588 -2.02400342944 7 20.8410111234 0.697292062619 1.77517976903 1 21.1380020961 2.33317949807 2.66979007743 1 21.5834993494 -0.887153761337 2.48491793384 6 8.55072081282 -1.02933075625 0.787372576289 8 7.74481307558 -3.17762575485 0.511396947249 7 7.05397038251 0.888627903207 1.54546896295 1 7.76234008752 2.58922394741 1.90477240945 6 4.34412151772 0.471267660613 1.97617977221 1 4.11567022133 -1.31564616149 2.93907082096 1 3.66918162500 1.96785234101 3.19655760703 6 2.83322401463 0.431124044979 -0.504279368481 1 3.11335731365 2.20436047481 -1.49304292078 1 3.57440415444 -1.07510116992 -1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 1.49697720468 1.17000519138 1 -0.298267921192 -1.78626047228 0.960482973300 1 -1.05317079190 -4.110766263255E-02 -1.75580559418 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 17.9683881599 0.297292077107 -1.27536857331 6 13.1074956167 -0.472207080671 0.453228519305 6 16.4795229986 2.34875635930 -0.647864180363 6 17.0206311288 -2.13415723988 -1.11906109396 6 14.5917090576 -2.50997045525 -0.254800853982 6 14.0483817764 1.95969349025 0.221879028027 1 17.2064313178 4.21995575715 -0.891477750401 1 18.1611556206 -3.69459587591 -1.71498801728 1 13.7960455627 -4.36328224970 -0.132995603972 1 12.9022737548 3.57153468866 0.648336550217 16 21.0720806852 0.788022958085 -2.30216806175 8 21.7468110653 -1.31897174983 -3.85840867623 8 21.2227851157 3.34246112332 -3.18367143395 7 22.7709964146 0.611425397042 0.210357613229 1 23.2419454469 2.18327885030 1.14424461781 1 23.6155189330 -1.01555484106 0.663326749229 6 10.4913649952 -1.09295624704 1.36656090135 8 9.63574908684 -3.22390935997 1.10529668512 7 9.16801166064 0.764206510305 2.50274977654 1 9.93546118641 2.44582902745 2.82792804056 6 6.57752127994 0.303665749238 3.38789268707 1 6.51903031968 -1.54105374663 4.26306789461 1 6.14310735722 1.71711069845 4.80129056636 6 4.64548715274 0.408008321980 1.22155256882 1 4.74877437287 2.24262500055 0.310278321539 1 5.15722580814 -1.01799017637 -0.154647286614 6 1.93810690142 -7.135985398158E-02 2.17182509407 1 1.44127945712 1.34174421826 3.57579700736 1 1.85954730813 -1.90266503311 3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 1.83021062745 -0.923376785869 1 -1.89573167271 -0.347838378411 0.695134146311 1 0.441627040364 -1.42860412068 -1.40142839635 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 20.7991290262 0.173784562617 -0.967430943750 6 15.8208872142 -0.493809018334 0.438608973922 6 19.3262977014 2.25396162951 -0.398797961368 6 19.7814511456 -2.23370706654 -0.914828584962 6 17.2935652430 -2.55864272562 -0.212496983470 6 16.8360353316 1.91574159282 0.309779724471 1 20.1142731917 4.10895290340 -0.564237775091 1 20.9173363920 -3.81385503923 -1.46592508350 1 16.4442776257 -4.39176179105 -0.176203941180 1 15.7049640512 3.54969525139 0.689919799457 16 23.9730508168 0.598035781202 -1.78812191880 8 24.6931739735 -1.50517256805 -3.32907555178 8 24.2435498230 3.15901002899 -2.62060021432 7 25.5033852023 0.345442345150 0.824002123731 1 25.9537944258 1.89269407830 1.80776047178 1 26.2758209659 -1.30859530159 1.30662787836 6 13.1364605614 -1.05636550436 1.17304363784 8 12.2342106329 -3.15067883783 0.798066467619 7 11.8045299533 0.811050923403 2.28280920599 1 12.6074301426 2.45211797021 2.71333127911 6 9.14976160456 0.415244685406 2.99139374910 1 8.97576642824 -1.45199356268 3.80070440505 1 8.67465458601 1.79959917137 4.42036175613 6 7.36177114450 0.653459671476 0.714423221458 1 7.91441927685 -0.744818521689 -0.674421622847 1 7.58140029875 2.51170351436 -0.125580462120 6 4.58736232398 0.234912622601 1.48206692652 1 4.39235199539 -1.62338779407 2.33305194788 1 4.04706318167 1.61793167812 2.90215796291 6 2.76982943896 0.437731877559 -0.782841872202 1 3.30844365759 -0.941827465806 -2.20173367200 1 2.95663454185 2.29447008586 -1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 -1.86570407362 0.817672243790 1 -1.25343256978 0.149457481471 -1.61416779080 1 -0.583961285311 1.38598079582 1.39357136739 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 22.5771469666 1.15315062242 -1.33850011954 6 17.8425169573 -0.576156120662 2.234632623383E-03 6 21.1633719312 2.48100690435 0.409962720559 6 21.6107089723 -0.989908679563 -2.48228696960 6 19.2440933876 -1.84630992232 -1.80831765324 6 18.7957098516 1.60947522179 1.08290543351 1 21.8946454585 4.19945910018 1.18536236676 1 22.6855831307 -1.93339152381 -3.91236744583 1 18.4339240240 -3.48182972505 -2.67523222275 1 17.7008464917 2.68987866802 2.39737300535 16 25.6065323789 2.21318301591 -2.12963917739 8 26.1459122384 1.31654885736 -4.62396311682 8 25.7256214254 4.83779591130 -1.48007485887 7 27.4751893457 0.743706108843 -0.237803865057 1 28.0301701289 1.56579060238 1.36866835464 1 28.3270991466 -0.844667304544 -0.800499116961 6 15.2894950371 -1.66650661716 0.597501874580 8 14.3687896107 -3.29889550467 -0.754640571509 7 14.1000853631 -0.805668522375 2.68023465397 1 14.9377893462 0.404137958512 3.84561620167 6 11.5717591707 -1.74173503480 3.34228248627 1 11.5333026393 -3.75907383560 3.02446283844 1 11.2783293185 -1.38337013554 5.33468474421 6 9.48677589010 -0.474256852886 1.76614598946 1 9.86157341390 -0.860340863107 -0.208498546579 1 9.56627349941 1.55562313317 2.04857411438 6 6.84855323045 -1.47113086062 2.48064608058 1 6.79648913596 -3.50501120231 2.20511689137 1 6.49229173351 -1.11341496630 4.47217285833 6 4.73751179529 -0.241051054790 0.898179482966 1 5.09253015610 -0.596968801207 -1.09184063865 1 4.78211518922 1.79347499883 1.17152183930 6 2.09502690272 -1.24324747214 1.59513297750 1 2.05024617966 -3.27578983933 1.31947880152 1 1.74096952081 -0.890659058047 3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 2.03079721447 0.281447018883 1 -1.84622701379 -0.726603423243 0.512706719913 1 0.300397382099 -0.366813160548 -1.99443311341 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 25.3713425036 1.29078949634 -0.355162756323 6 20.4999091352 -0.573560077356 -0.364133120434 6 23.9743069632 1.31357807398 1.85095938988 6 24.3252994282 0.415369237348 -2.58530943683 6 21.8910263201 -0.513406735149 -2.58161342663 6 21.5377263326 0.374782138985 1.84407022859 1 24.7750487130 2.10650345747 3.53005203392 1 25.3946688774 0.512004923803 -4.29936626465 1 21.0202154713 -1.18149772339 -4.27815360199 1 20.4612990421 0.457447519092 3.55525533127 16 28.4826686810 2.40691226463 -0.326907266351 8 29.0575208275 3.24882881774 -2.83235788148 8 28.7292616886 4.02045594705 1.83191149933 7 30.1958247445 -4.659798221744E-02 0.196814783951 1 30.7416402004 -0.458650792246 1.95662063897 1 30.9742895925 -0.978036517171 -1.24950605113 6 17.8685695062 -1.62069402182 -0.569037022625 8 16.9121337151 -1.98640308405 -2.64084945189 7 16.6475838091 -2.16728923214 1.59968433242 1 17.5026399508 -2.00396757565 3.26264024246 6 14.0471178299 -3.13731508438 1.54317890412 1 13.9081475080 -4.50575166986 3.317958501066E-02 1 13.6971642834 -4.08287469466 3.32301791741 6 12.0992929940 -1.02487542427 1.11703967027 1 12.5281848996 -0.117796579141 -0.666940159516 1 12.2815924673 0.373262443907 2.60660342009 6 9.38368726187 -2.06734240350 1.06370511801 1 9.22904530181 -3.47641655650 -0.421514153709 1 8.97012908132 -3.00584669183 2.84391203155 6 7.40761134032 2.081885259197E-02 0.604515659145 1 7.82188979387 0.959523171789 -1.17316216804 1 7.55506462234 1.43154567156 2.08911482546 6 4.68976064388 -1.01856155618 0.532987082800 1 4.54337076001 -2.42907817719 -0.951893386632 1 4.27548433984 -1.96002534321 2.31043907566 6 2.70945778986 1.06451077238 7.050369403612E-02 1 2.85286386444 2.47488702954 1.55389920638 1 3.12196207310 2.00541446888 -1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 -0.913671943654 1.77644025194 1 -0.190421763470 -1.38528862659 -1.49931725663 1 -1.36920746468 1.48906274881 -0.327953965063 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 12.5848445143 2.214831781233E-02 -0.556478258224 6 8.69629195296 -3.40602497997 5.723269936448E-02 6 13.0257444660 -2.53110666373 -0.924846545706 6 10.2258217623 0.866190015754 0.165582797618 6 8.28185444517 -0.853555466819 0.454524385523 6 11.0752006661 -4.24356771448 -0.624737865128 1 14.8911255628 -3.15299343644 -1.39958311957 1 9.89112732565 2.82590885257 0.539846964711 1 11.4157005609 -6.21883734829 -0.902133464441 1 7.16503331060 -4.69948758572 0.303795202784 16 15.0393697888 2.18719521168 -0.989246819228 8 14.5163597802 4.32176875309 0.587354319110 8 17.3553269395 0.795702486332 -0.818726761991 7 14.7793750463 3.13293192845 -3.86512438104 1 15.7869088360 2.30163480721 -5.22822520803 1 13.8652542551 4.74069977974 -4.24633706113 6 5.78139757667 0.128556785263 1.21687856315 8 5.31207400689 2.33359527611 1.57362483306 8 4.05083479163 -1.71490480194 1.47826749077 6 1.48156234900 -1.03892914755 2.24569554271 1 1.58880816976 0.335516262492 3.74723401970 1 0.695367135881 -2.78399483377 2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 1.76544969427 -0.618730938225 1 -1.94555130859 0.332575243843 0.546772369514 1 3.204009288675E-02 -1.34080948406 -1.54460114417 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 12.8890154116 -0.705277880383 -1.14720179930 6 8.63769836124 -3.13049528123 0.667661770817 6 12.7319518701 -3.31575026979 -1.24953250550 6 10.9569225116 0.695766556321 -9.751807067616E-02 6 8.82613167454 -0.523894116806 0.792591324657 6 10.5992603324 -4.52600049228 -0.347345586450 1 14.2899506016 -4.37073958544 -1.99215015759 1 11.1015200706 2.70670044967 6.927699906552E-02 1 10.4790321405 -6.54467146322 -0.418442390861 1 6.97610510274 -4.03068091841 1.38023898390 16 15.5627490576 0.822518029860 -2.33749544115 8 15.8229282919 3.15406888960 -0.991452102556 8 17.5437523161 -1.02001916354 -2.43592096346 7 14.8684985712 1.53647032143 -5.20844295944 1 15.3767252852 0.386655890843 -6.61698140507 1 14.2248344825 3.26408243787 -5.61723200204 6 6.79347179930 1.04660415182 1.88860309653 8 6.85484558388 3.32298080002 2.03527859933 8 4.83213012733 -0.343458562873 2.71902399181 6 2.67074070889 0.942294741451 3.87107068777 1 3.36885866078 2.40278957263 5.11116789488 1 1.73854892126 -0.517937139307 4.94237350117 6 0.939722951498 2.04419227640 1.84067995763 1 1.95933960265 3.50453225416 0.835936877146 1 -0.651647293680 2.92949001440 2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 -0.926345928488 -0.897351059817 1 -1.18541346184 0.819158338947 -1.45510065788 1 -1.09455253252 -1.42063673159 0.994146730604 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 14.6470472295 -7.927582673955E-02 1.80388763872 6 11.0622537716 3.27640760804 3.297672786334E-02 6 14.7369160592 2.43215177975 2.53444551673 6 12.8070002392 -0.912058450381 0.154696461770 6 11.0072899085 0.769206969645 -0.713259671910 6 12.9364096564 4.10752092444 1.65236698309 1 16.2316861745 3.05537583528 3.74640500018 1 12.7765418719 -2.82982636485 -0.488648395220 1 13.0085282876 6.05136023195 2.20986983423 1 9.65703039613 4.54278939690 -0.674485001885 16 16.8933356488 -2.20308237715 2.96282720847 8 17.1654544206 -4.16922825102 1.12553453199 8 18.9940820965 -0.731414937095 3.82882717480 7 15.6175472951 -3.46311887774 5.41587468911 1 15.9629473681 -2.75343817166 7.13085232509 1 14.7456722210 -5.13162497330 5.26853072316 6 9.06040892940 -0.201291984067 -2.46474864871 8 8.91665151407 -2.36805020959 -3.16600142043 8 7.43567148504 1.60759380764 -3.21024508761 6 5.40076218187 0.941573563734 -4.96333502457 1 6.16223386958 -0.282504725278 -6.40561520272 1 4.83637016269 2.72590185916 -5.76743153053 6 3.22465398359 -0.335499112468 -3.56255615145 1 3.88723544293 -2.11837323163 -2.80741591652 1 1.74866488564 -0.745640292260 -4.92795366683 6 2.15777787507 1.32856537299 -1.43129092786 1 3.66996182072 1.79605579868 -0.134672107749 1 1.47023890202 3.09083857609 -2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 -1.74919959851 0.839514279590 1 -1.54647644809 -0.446140232212 -1.26996230476 1 -0.727968804225 1.19296015340 1.49826125964 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 25-*- 25 (25)2-COOMe-benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 9.26469825960 -0.115285438213 5.602854143508E-02 6 8.90111764100 -5.35497468651 -8.681940341105E-02 6 11.4097864923 -1.59905547080 0.153496608731 6 6.90102826773 -1.27659703106 -0.121109180156 6 6.74099248895 -3.88491244059 -0.165963045889 6 11.2344114430 -4.20930265253 6.255358505758E-02 1 13.2029651149 -0.690067146858 0.332869222329 1 4.91634236085 -4.74022266935 -0.267208797472 1 12.9216504644 -5.32583042416 0.133810409638 1 8.74839085222 -7.37267249301 -0.134114468929 16 9.76448277031 3.17404154533 0.448864274029 8 8.18475360011 3.96865751580 2.48854735857 8 12.4546734796 3.50326075693 0.610213476162 7 8.92467136886 4.45646753767 -2.14482921918 1 10.2431620698 5.22714964795 -3.25198681208 1 7.07989398976 4.55692328763 -2.54627661606 6 4.52133719170 0.184152075081 -0.383547755878 8 4.34348147821 2.34540718155 -1.11074156783 8 2.47518935531 -1.19185889266 0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 1.64179424510 1.20474191880 1 -1.31575870364 -1.42212578121 0.614209049095 1 -0.363257043169 0.553737627033 -1.92823868659 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide ------------------------------------------------ 6 16.1446401860 0.598100183517 -0.326057391367 6 14.6981043798 5.63530435712 4.613233831357E-02 6 17.8958356416 2.50946537758 -0.631453150362 6 13.6304137151 1.22204306422 0.179264687716 6 12.9273445913 3.73439583336 0.335819656502 6 17.1835075379 5.01994229283 -0.426987158114 1 19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 1-*- 1 (1)Benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 5.04401540573 -5.065785560124E-17 8.565768416162E-02 6 9.27990108396 -9.396277336371E-17 -2.94283641892 6 6.11045552513 -2.27247789332 -0.644730598780 6 6.11045552513 2.27247789332 -0.644730598780 6 8.22908048709 2.26870089799 -2.17155776959 6 8.22908048709 -2.26870089799 -2.17155776959 1 5.30807717985 -4.00751998316 1.696942951703E-02 1 5.30807717985 4.00751998316 1.696942951703E-02 1 9.06580730279 4.02284755065 -2.73828333892 1 9.06580730279 -4.02284755065 -2.73828333892 1 10.9268739609 -1.108006638944E-16 -4.12165702328 16 2.32566022845 -2.288454205577E-17 1.95862643609 8 2.24799399215 2.36940193927 3.26556451771 8 2.24799399215 -2.36940193927 3.26556451771 7 0.00000000000 0.00000000000 0.00000000000 1 -0.817594738155 -1.62837329388 -0.493096431600 1 -0.817594738155 1.62837329388 -0.493096431600 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 2-*- 2 (2)4-Methyl-benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 8.11007909745 8.556435899195E-18 0.100897097935 6 2.86329951331 2.922536611154E-18 7.349736953064E-02 6 6.80777063774 2.26567639154 0.121232299609 6 6.80777063774 -2.26567639154 0.121232299609 6 4.19897121896 -2.25839811190 9.895828809266E-02 6 4.19897121896 2.25839811190 9.895828809266E-02 1 7.83682406515 4.00573551491 0.201208431763 1 7.83682406515 -4.00573551491 0.201208431763 1 3.19435364603 -4.01778780932 0.125815986880 1 3.19435364603 4.01778780932 0.125815986880 16 11.4059109298 1.222287901647E-17 6.903234852523E-02 8 12.2226557176 -2.36966347735 1.09351831769 8 12.2226557176 2.36966347735 1.09351831769 7 12.1903871090 2.070990068685E-17 -2.87084462677 1 12.5792272181 1.62848573258 -3.74230825804 1 12.5792272181 -1.62848573258 -3.74230825804 6 0.00000000000 0.00000000000 0.00000000000 1 -0.655463654720 4.336273740756E-18 -1.94437378897 1 -0.758564487207 -1.65923610975 0.927043031519 1 -0.758564487207 1.65923610975 0.927043031519 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 3-*- 3 (3)4-Ethyl-benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 9.49515614095 -1.986230634504E-17 -0.330909318726 6 4.54766506655 1.418482302241E-17 1.41449070261 6 8.25938767444 -2.26624765571 7.914581718090E-02 6 8.25938767444 2.26624765571 7.914581718090E-02 6 5.80247435955 2.25843288285 0.956589914867 6 5.80247435955 -2.25843288285 0.956589914867 1 9.20891937494 -4.00630432243 -0.325801090800 1 9.20891937494 4.00630432243 -0.325801090800 1 4.84800788582 4.01788928760 1.27432519389 1 4.84800788582 -4.01788928760 1.27432519389 16 12.6215076530 -4.047871219384E-17 -1.37421975164 8 13.0597966465 2.36964987132 -2.60912294465 8 13.0597966465 -2.36964987132 -2.60912294465 7 14.3219760733 -5.129921083899E-18 1.14895839935 1 14.9723537348 -1.62851785792 1.84712919698 1 14.9723537348 1.62851785792 1.84712919698 6 1.82011448549 3.162508651201E-17 2.28845439361 1 1.46450096442 1.65231782291 3.44535547264 1 1.46450096442 -1.65231782291 3.44535547264 6 0.00000000000 0.00000000000 0.00000000000 1 0.312880607522 1.65855864299 -1.15861699465 1 0.312880607522 -1.65855864299 -1.15861699465 1 -1.95068478995 1.250653597013E-17 0.627272661168 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 4-*- 4 (4)4-Propyl-Benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 12.3462848294 -8.276065163872E-20 -0.219629035968 6 7.27697590475 1.666425406161E-18 1.13352461031 6 11.0821729337 -2.26629036351 9.228879249722E-02 6 11.0821729337 2.26629036351 9.228879249722E-02 6 8.56408820998 2.25853587292 0.774654122839 6 8.56408820998 -2.25853587292 0.774654122839 1 12.0604999845 -4.00629846428 -0.237334526856 1 12.0604999845 4.00629846428 -0.237334526856 1 7.58747623906 4.01782409206 1.01660875510 1 7.58747623906 -4.01782409206 1.01660875510 16 15.5446672699 -1.106855929460E-18 -1.01482146618 8 16.0785895276 2.36961755701 -2.21160547802 8 16.0785895276 -2.36961755701 -2.21160547802 7 17.0423265084 2.516184840979E-18 1.63372129060 1 17.6356158799 -1.62852220429 2.38095755132 1 17.6356158799 1.62852220429 2.38095755132 6 4.48973225005 2.504801715792E-18 1.78668016231 1 4.03784923022 1.65364233185 2.91036104922 1 4.03784923022 -1.65364233185 2.91036104922 6 2.84178543494 -8.061817684800E-19 -0.630150435706 1 3.30689183592 1.64977444070 -1.75284818480 1 3.30689183592 -1.64977444070 -1.75284818480 6 0.00000000000 0.00000000000 0.00000000000 1 -0.500643208584 1.66081705451 1.09295879416 1 -1.12447528227 -2.345093436379E-18 -1.71233470070 1 -0.500643208584 -1.66081705451 1.09295879416 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 5-*- 5 (5)4-Butyl-Benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 14.1238159113 1.214503673567E-17 -0.678437661017 6 9.44100667607 7.329180195868E-17 1.68836769331 6 12.9508759688 -2.26624992338 -0.112955994743 6 12.9508759688 2.26624992338 -0.112955994743 6 10.6269754875 2.25848844080 1.07270695836 6 10.6269754875 -2.25848844080 1.07270695836 1 13.8404298349 -4.00630337757 -0.636723693997 1 13.8404298349 4.00630337757 -0.636723693997 1 9.72086351835 4.01774604637 1.51016368205 1 9.72086351835 -4.01774604637 1.51016368205 16 17.0896510524 -2.469474469544E-17 -2.11542048055 8 17.3657436482 2.36962001365 -3.39654871916 8 17.3657436482 -2.36962001365 -3.39654871916 7 19.1011870389 4.944166890890E-17 0.167534197609 1 19.8356986120 -1.62853921182 0.776447021723 1 19.8356986120 1.62853921182 0.776447021723 6 6.84711615725 1.041405701228E-16 2.90008400935 1 6.63682781461 -1.65387609096 4.09248466188 1 6.63682781461 1.65387609096 4.09248466188 6 4.74105840551 3.748430357849E-17 0.870168924938 1 4.96583213621 -1.65095665328 -0.325145161310 1 4.96583213621 1.65095665328 -0.325145161310 6 2.07671001580 6.693452376398E-17 2.04129882743 1 1.86017810411 -1.65244972578 3.23844110052 1 1.86017810411 1.65244972578 3.23844110052 6 0.00000000000 0.00000000000 0.00000000000 1 0.161115980412 -1.66008648645 -1.19157111842 1 -1.86482588637 2.150045959666E-17 0.848869041688 1 0.161115980412 1.66008648645 -1.19157111842 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 6-*- 6 (6)4-Am-Benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 16.9068057473 -0.243177970445 1.059325119563E-16 6 12.0155875324 1.65600530852 7.874007219591E-16 6 15.7028346951 0.252939874960 2.26622819153 6 15.7028346951 0.252939874960 -2.26622819153 6 13.2672687790 1.18799231963 -2.25851621977 6 13.2672687790 1.18799231963 2.25851621977 1 16.6905927723 -4.935959543974E-02 4.00587781127 1 16.6905927723 -4.935959543974E-02 -4.00587781127 1 12.3418929399 1.58361797677 -4.01758126227 1 12.3418929399 1.58361797677 4.01758126227 16 19.9613139677 -1.48061075670 -3.396565444380E-16 8 21.0975033451 -0.827628604396 -2.36965497358 8 21.0975033451 -0.827628604396 2.36965497358 7 19.6140817394 -4.50363661503 -1.520890767875E-15 1 19.6563448244 -5.45686048237 1.62850009449 1 19.6563448244 -5.45686048237 -1.62850009449 6 9.31463490683 2.60509907624 1.124910972962E-15 1 8.98767928251 3.77103356608 1.65353820795 1 8.98767928251 3.77103356608 -1.65353820795 6 7.41754404250 0.378508099205 2.354035425308E-16 1 7.75886683358 -0.788097380015 1.65185162751 1 7.75886683358 -0.788097380015 -1.65185162751 6 4.65268631611 1.28701345345 5.563510498846E-16 1 4.32004736793 2.45842354097 1.65339251008 1 4.32004736793 2.45842354097 -1.65339251008 6 2.76072678768 -0.925807775628 -3.277337893163E-16 1 3.09073708924 -2.09665994535 1.65204135600 1 3.09073708924 -2.09665994535 -1.65204135600 6 0.00000000000 0.00000000000 0.00000000000 1 -0.377248445559 1.14184653845 1.66034613480 1 -1.30590878374 -1.57901648689 -6.303379891292E-16 1 -0.377248445559 1.14184653845 -1.66034613480 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 7-*- 7 (7)4-COOMe-Benzenedsulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 12.0127056291 0.467319191248 -0.111806432972 6 6.97352093600 -0.759917308701 -4.748266917407E-02 6 10.2217532895 2.37079219426 -0.152809003460 6 11.3033419938 -2.04980757052 -9.307700569057E-02 6 8.76972951282 -2.66113662451 -5.092383423729E-02 6 7.68607351310 1.75397861179 -0.112223563757 1 10.8183018721 4.29997421278 -0.259688127616 1 12.7207799808 -3.49060386186 -0.155267676093 1 8.15790328645 -4.58878364063 -3.776105769249E-02 1 6.26630294078 3.18887845369 -0.146456888627 16 15.2263520177 1.25494370756 -8.406950718910E-02 8 16.5763713396 -0.857729096636 -1.09992283794 8 15.4471228542 3.74394477194 -1.12115495093 7 15.9595091226 1.44681230628 2.85648386684 1 15.9368640683 3.12142107712 3.72820018659 1 16.7225609771 -3.868535428217E-02 3.73740008869 6 4.28110783217 -1.51706821998 -4.380793909740E-03 8 3.53735775286 -3.67127241182 4.627237069106E-02 8 2.70645115658 0.479140449071 -2.490563827674E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.535622714645 -1.08656629775 -1.64022531142 1 -0.866069129495 1.83937203385 -2.906081667564E-02 1 -0.516390062658 -1.02531407580 1.68530034526 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 8-*- 8 (8)4-COOEt-Benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 9.25649635012 1.80846527957 9.292601243073E-02 6 4.49653007628 -0.252386364964 5.563329730033E-02 6 8.97661510100 -0.790299344150 0.119114341606 6 7.17209172246 3.38798511785 0.102169685012 6 4.78224687467 2.34735739516 7.329320901833E-02 6 6.58177520099 -1.82758693433 9.237860791359E-02 1 10.6170947155 -1.96958871556 0.204027651419 1 7.43391914542 5.39176377246 0.175377186833 1 3.13114524169 3.51529832560 8.157662744579E-02 1 6.31465409765 -3.82860234946 0.115984151186 16 12.2941652834 3.11903583590 4.829871274683E-02 8 12.1064542125 5.60990047425 1.08680327140 8 13.9812398042 1.25851015147 1.05437846650 7 12.9682120575 3.43319864541 -2.89600901229 1 13.9516579638 2.09107340260 -3.78830088073 1 12.6725674087 5.08557002470 -3.76041888038 6 1.89086902464 -1.27466774715 2.847109335790E-02 8 1.83775228380 -3.81438709360 3.668617006514E-02 6 -0.611334772331 -5.09553939230 2.759474634627E-02 1 -1.67193584771 -4.49484752416 1.66284241111 1 -1.63290597596 -4.54650767572 -1.65033477868 6 -2.628882640013E-02 -7.90958602311 7.826139859268E-02 1 1.04055063371 -8.37091267308 1.76016592182 1 1.08118978950 -8.42305482102 -1.56183569609 1 -1.76381943467 -8.99262746496 7.397371123187E-02 8 0.00000000000 0.00000000000 0.00000000000 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 9-*- 9 (9)4-COOnPr-Benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 16.2691799750 -0.861123974289 0.131186883282 6 11.5121945621 1.20427204035 2.028457912686E-02 6 14.1804039648 -2.43212467262 0.170027955664 6 15.9979271981 1.73975638478 9.085209513991E-02 6 13.6053532164 2.77244247494 2.499575182470E-02 6 11.7868447762 -1.39343219905 0.106330752902 1 14.4397111888 -4.43379554927 0.293347888880 1 17.6391790059 2.91927288464 0.155077522013 1 13.3297352136 4.77580185192 -5.280276989638E-03 1 10.1431555114 -2.56525744119 0.138937307621 16 19.3020004227 -2.18348775204 0.134299477251 8 20.9842079738 -0.325733494236 1.15270139607 8 19.0886880558 -4.66812122535 1.18366001761 7 20.0154046741 -2.51391842666 -2.79896253743 1 19.7140075146 -4.16469009410 -3.66423830225 1 21.0264342221 -1.18451012097 -3.67951649332 6 8.98524438142 2.40710164988 -4.683800638368E-02 8 8.62404088094 4.65762117820 -0.119145313158 8 7.09521260910 0.710056286046 -2.027193485411E-02 6 4.48588899364 1.61442012240 -6.043557639931E-02 1 4.18402977757 2.83160191470 1.54997335048 1 4.18851510037 2.69852442655 -1.76429702456 6 2.81774658260 -0.727728392362 3.131445935321E-02 1 3.26511634385 -1.91346199534 -1.57535965464 1 3.26258594609 -1.78075553052 1.72848102325 6 0.00000000000 0.00000000000 0.00000000000 1 -1.17659674716 -1.67378352623 6.601676572586E-02 1 -0.468128283684 1.03824231167 -1.70442814436 1 -0.470300494955 1.17038221894 1.61582801791 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 10-*- 10 (10)4-COOnBu-benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 17.9684279399 1.54301176377 -0.149693423226 6 13.6326730870 -1.30132688262 -2.138183749743E-02 6 15.6426740929 2.73563073422 -0.189786012449 6 18.1438750705 -1.06604052147 -9.962044033802E-02 6 15.9621451629 -2.49057033907 -2.523220981312E-02 6 13.4610204855 1.30509459913 -0.117287370756 1 15.5573431966 4.75166639252 -0.321088296824 1 19.9617870444 -1.94922244854 -0.163264253275 1 16.0314585342 -4.51140907128 1.239461845501E-02 1 11.6418341179 2.17978662007 -0.150641401029 16 20.7317846783 3.36204210634 -0.163987391502 8 22.7051478607 1.81249173186 -1.17548489088 8 20.0987699462 5.76903704384 -1.22508771415 7 21.3801516200 3.82469400623 2.76690153273 1 20.8048852121 5.40607792939 3.62309870587 1 22.6005200302 2.68935847433 3.65393602741 6 11.3472294671 -2.91626214998 5.651370344789E-02 8 9.19665552725 -1.56522590120 3.245613991045E-02 6 6.77856962350 -2.90016097853 8.749655544515E-02 1 6.67652246165 -4.14495637472 -1.52674105702 1 6.68550306343 -4.02593032336 1.78755983989 6 4.73704841955 -0.874096953142 1.969560988444E-02 1 4.98065500262 0.246176556333 -1.67702200013 1 4.98893864106 0.366141886882 1.62964287548 8 11.3745245833 -5.19521098803 0.135688264964 6 2.07271853085 -2.04310727132 6.880948422220E-02 1 1.85408721205 -3.17805095775 1.76397604453 1 1.84594669663 -3.29720682002 -1.53896371651 6 0.00000000000 0.00000000000 0.00000000000 1 0.165980388013 1.24962477650 1.61609500694 1 -1.86381093455 -0.848750824383 3.507941596838E-02 1 0.158113135931 1.12952769314 -1.70286806009 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 11-*- 11 (11)4-COOAm-benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 20.7940103927 1.18292577645 -0.135748344237 6 16.2553748543 -1.32561650568 -1.898358840442E-02 6 18.5653398548 2.54782901355 -0.185991958815 6 20.7714899222 -1.43194635192 -8.119491494154E-02 6 18.4881809521 -2.68752983337 -1.268047644927E-02 6 16.2816292072 1.28621992460 -0.119293218161 1 18.6330826801 4.56430368467 -0.320494210942 1 22.5176825572 -2.45010794741 -0.136961916771 1 18.4044365481 -4.70774521966 2.810073710092E-02 1 14.5338256999 2.29576106594 -0.160475355254 16 23.6871881374 2.78742501086 -0.142668366748 8 25.5411157417 1.09148804236 -1.14525598407 8 23.2417958312 5.23383132605 -1.20898679380 7 24.3589360690 3.20370291968 2.78991772878 1 23.9091509095 4.82809819444 3.64057141352 1 25.4806790933 1.97605258766 3.68426382740 6 13.8540126043 -2.76296861394 5.303453877654E-02 8 11.8120703378 -1.25321399795 2.008307004224E-02 6 9.29901118039 -2.40045989565 6.905102121977E-02 1 9.10783205313 -3.63690786172 -1.54345602431 1 9.11551718001 -3.51245649883 1.77073227684 6 7.41759711942 -0.225163913710 -8.381954772778E-03 1 7.75164296187 0.869303738938 -1.70652575015 1 7.75918159098 0.994644284689 1.60061304784 8 13.7086109469 -5.03734953143 0.135183415616 6 4.67345055952 -1.19177646373 3.443655708758E-02 1 4.36347393069 -2.30467041402 1.73186035831 1 4.35593551642 -2.42824308851 -1.57363269202 6 2.73979046465 0.982603093803 -4.252073111888E-02 1 3.05064854136 2.21942573316 1.56427419659 1 3.04356406783 2.09606747732 -1.73831335444 6 0.00000000000 0.00000000000 0.00000000000 1 -0.350208818817 -1.08637600396 1.70287631133 1 -0.357289139629 -1.20966193729 -1.61602453331 1 -1.33734281519 1.55130517970 -5.488380719168E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 12-*- 12 (12)4-COOnHe-Benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 22.6680723895 -1.90654821224 0.175233423843 6 18.4884955220 1.16205594440 2.429127256041E-02 6 20.2830274345 -2.97597725977 0.173664688758 6 22.9799650421 0.690079737778 0.155208703405 6 20.8766221032 2.22748679265 6.903817015508E-02 6 18.1799381157 -1.43239889865 8.995095951044E-02 1 20.0909835172 -4.98607533718 0.281845826277 1 24.8405388049 1.47638787062 0.250726882769 1 21.0517072441 4.24227251958 5.371272626672E-02 1 16.3172055949 -2.21104024810 9.170563306660E-02 16 25.3324936821 -3.86769909134 0.204282249485 8 27.3689282330 -2.43608131514 1.26337330774 8 24.5588648910 -6.25073611663 1.22544756910 7 25.9991456410 -4.32704671165 -2.72259774632 1 25.3514763748 -5.86285263510 -3.60932921947 1 27.2925393220 -3.24838521296 -3.57606690334 6 16.2916230451 2.89540499983 -6.179565244721E-02 8 14.0727663740 1.65964926922 -7.242285012777E-02 6 11.7286122162 3.12131087053 -0.129207796905 1 11.6916371367 4.36862899705 1.48585984781 1 11.6980732731 4.25127283221 -1.82879684924 6 9.58109439663 1.20776499556 -6.511610601119E-02 1 9.76756866224 7.139861485579E-02 1.62808855633 1 9.76377736159 -3.875539761361E-02 -1.67952200771 8 16.4397777482 5.17051756224 -0.117582340473 6 6.98540215161 2.52323506137 -0.105275847922 1 6.82580399210 3.67429399210 -1.79800400123 1 6.83170567671 3.78372128405 1.50810456154 6 4.78702881724 0.616612023999 -3.768403587990E-02 1 4.93145580826 -0.642205670084 -1.65293843334 1 4.94358499840 -0.538158692436 1.65236070615 6 2.18592326697 1.92237034783 -6.880796847135E-02 1 2.02940000857 3.07742276656 -1.75724206468 1 2.04230086267 3.18049871305 1.54542866217 6 0.00000000000 0.00000000000 0.00000000000 1 8.744755944024E-02 -1.24972460005 -1.62283624211 1 -1.81555813970 0.949604486281 -2.171294654113E-02 1 0.101559387270 -1.14661307089 1.69643499199 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 13-*- 13 (13)4-CONHMe-benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 12.2734251286 0.428907088210 -3.130417300445E-02 6 7.16512558575 -0.605433656762 -0.183825719733 6 10.5713708299 2.37495748345 -0.399070980710 6 11.4474717344 -2.04279012262 0.176766780326 6 8.89344536670 -2.55194533980 9.586430260886E-02 6 8.01368059796 1.85426065145 -0.469957115655 1 11.2546633574 4.25736622768 -0.680203900338 1 12.7976479862 -3.53900012680 0.347716707934 1 8.19737481149 -4.44495294702 0.221953717805 1 6.71862383287 3.36899815646 -0.820375895056 16 15.5058925312 1.09988548484 0.139878058083 8 16.8322621021 -1.12838754297 -0.629587328980 8 15.8847585470 3.49504260894 -1.06180455980 7 16.0744500874 1.48770706952 3.09912365385 1 16.0632182407 3.22273094432 3.84357473139 1 16.7466970697 5.130502478586E-02 4.12393032748 6 4.42868586731 -1.35626047301 -0.252477484269 8 3.82938195486 -3.56208325758 -0.576406362775 7 2.71818896568 0.506140006335 9.280093005674E-02 1 3.27509805498 2.22468116302 0.607212134476 6 0.00000000000 0.00000000000 0.00000000000 1 -0.253613313428 -1.90115557994 -0.684101664629 1 -0.922458262213 1.31460329988 -1.26745769935 1 -0.840700153890 0.156106480461 1.86072422508 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 14-*- 14 (14)4-CONHEt-benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 13.4991057155 -0.357473590767 0.713811663238 6 8.48076024177 0.503164540210 -0.416629781928 6 11.8631397624 -2.37874757162 0.473562136431 6 12.6300343135 2.09621222127 0.471550344568 6 10.1214739007 2.51780523488 -9.207153793854E-02 6 9.35258280198 -1.94453974915 -9.759660250163E-02 1 12.5459565012 -4.25659611519 0.784414249864 1 13.8986334476 3.64265027953 0.771481617840 1 9.38607236031 4.39164092392 -0.267910179188 1 8.09763925784 -3.52677510687 -0.221740185849 16 16.6935460046 -0.912646421298 1.35805736093 8 17.6544840841 1.28364835574 2.61076734769 8 16.8676643394 -3.38662077444 2.44146121239 7 18.0366372567 -1.03700758771 -1.36404066179 1 18.3163089429 -2.70480564337 -2.20359468998 1 18.8696549651 0.501492704799 -2.07432409737 6 5.78952802473 1.16981982693 -1.02631101775 8 5.04502030288 3.34753860849 -0.814795268017 7 4.26922563055 -0.704156458501 -1.84300557024 1 4.93783248921 -2.42933031646 -2.15895801923 6 1.59945609057 -0.196996634022 -2.41475962510 1 1.48860461593 1.55437999117 -3.45794673312 1 0.926691554047 -1.71487444573 -3.60665821220 6 0.00000000000 0.00000000000 0.00000000000 1 0.120459207657 -1.73213272312 1.08507996536 1 -1.96325947579 0.346439546764 -0.473696207925 1 0.684941159121 1.55321650721 1.13775889828 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 15-*- 15 (15)4-CONHPr-Benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 16.3895792015 0.240489114104 -0.536193806704 6 11.2920888992 -0.451096170868 0.326090712247 6 14.8194157858 2.31710236513 -0.332180772567 6 15.4194231089 -2.18266311147 -0.390199489610 6 12.8721086867 -2.51961306172 4.014493484245E-02 6 12.2689440408 1.96736827272 0.104588496551 1 15.5860110543 4.17358955286 -0.566758904214 1 16.6431929451 -3.77015985899 -0.660657202547 1 12.0602052934 -4.36724803133 0.139997105688 1 11.0701659350 3.59425419512 0.203144347206 16 19.6304263353 0.686794962887 -1.01096050120 8 20.5702877543 -1.51578267698 -2.26860480338 8 19.9498684877 3.17604514588 -2.02400342944 7 20.8410111234 0.697292062619 1.77517976903 1 21.1380020961 2.33317949807 2.66979007743 1 21.5834993494 -0.887153761337 2.48491793384 6 8.55072081282 -1.02933075625 0.787372576289 8 7.74481307558 -3.17762575485 0.511396947249 7 7.05397038251 0.888627903207 1.54546896295 1 7.76234008752 2.58922394741 1.90477240945 6 4.34412151772 0.471267660613 1.97617977221 1 4.11567022133 -1.31564616149 2.93907082096 1 3.66918162500 1.96785234101 3.19655760703 6 2.83322401463 0.431124044979 -0.504279368481 1 3.11335731365 2.20436047481 -1.49304292078 1 3.57440415444 -1.07510116992 -1.67264383543 6 0.00000000000 0.00000000000 0.00000000000 1 -0.773080260022 1.49697720468 1.17000519138 1 -0.298267921192 -1.78626047228 0.960482973300 1 -1.05317079190 -4.110766263255E-02 -1.75580559418 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 16-*- 16 (16)4-CONHBu-Benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 17.9683881599 0.297292077107 -1.27536857331 6 13.1074956167 -0.472207080671 0.453228519305 6 16.4795229986 2.34875635930 -0.647864180363 6 17.0206311288 -2.13415723988 -1.11906109396 6 14.5917090576 -2.50997045525 -0.254800853982 6 14.0483817764 1.95969349025 0.221879028027 1 17.2064313178 4.21995575715 -0.891477750401 1 18.1611556206 -3.69459587591 -1.71498801728 1 13.7960455627 -4.36328224970 -0.132995603972 1 12.9022737548 3.57153468866 0.648336550217 16 21.0720806852 0.788022958085 -2.30216806175 8 21.7468110653 -1.31897174983 -3.85840867623 8 21.2227851157 3.34246112332 -3.18367143395 7 22.7709964146 0.611425397042 0.210357613229 1 23.2419454469 2.18327885030 1.14424461781 1 23.6155189330 -1.01555484106 0.663326749229 6 10.4913649952 -1.09295624704 1.36656090135 8 9.63574908684 -3.22390935997 1.10529668512 7 9.16801166064 0.764206510305 2.50274977654 1 9.93546118641 2.44582902745 2.82792804056 6 6.57752127994 0.303665749238 3.38789268707 1 6.51903031968 -1.54105374663 4.26306789461 1 6.14310735722 1.71711069845 4.80129056636 6 4.64548715274 0.408008321980 1.22155256882 1 4.74877437287 2.24262500055 0.310278321539 1 5.15722580814 -1.01799017637 -0.154647286614 6 1.93810690142 -7.135985398158E-02 2.17182509407 1 1.44127945712 1.34174421826 3.57579700736 1 1.85954730813 -1.90266503311 3.09340065354 6 0.00000000000 0.00000000000 0.00000000000 1 1.830505216959E-02 1.83021062745 -0.923376785869 1 -1.89573167271 -0.347838378411 0.695134146311 1 0.441627040364 -1.42860412068 -1.40142839635 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 17-*- 17 (17)4-CONHAm-Benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 20.7991290262 0.173784562617 -0.967430943750 6 15.8208872142 -0.493809018334 0.438608973922 6 19.3262977014 2.25396162951 -0.398797961368 6 19.7814511456 -2.23370706654 -0.914828584962 6 17.2935652430 -2.55864272562 -0.212496983470 6 16.8360353316 1.91574159282 0.309779724471 1 20.1142731917 4.10895290340 -0.564237775091 1 20.9173363920 -3.81385503923 -1.46592508350 1 16.4442776257 -4.39176179105 -0.176203941180 1 15.7049640512 3.54969525139 0.689919799457 16 23.9730508168 0.598035781202 -1.78812191880 8 24.6931739735 -1.50517256805 -3.32907555178 8 24.2435498230 3.15901002899 -2.62060021432 7 25.5033852023 0.345442345150 0.824002123731 1 25.9537944258 1.89269407830 1.80776047178 1 26.2758209659 -1.30859530159 1.30662787836 6 13.1364605614 -1.05636550436 1.17304363784 8 12.2342106329 -3.15067883783 0.798066467619 7 11.8045299533 0.811050923403 2.28280920599 1 12.6074301426 2.45211797021 2.71333127911 6 9.14976160456 0.415244685406 2.99139374910 1 8.97576642824 -1.45199356268 3.80070440505 1 8.67465458601 1.79959917137 4.42036175613 6 7.36177114450 0.653459671476 0.714423221458 1 7.91441927685 -0.744818521689 -0.674421622847 1 7.58140029875 2.51170351436 -0.125580462120 6 4.58736232398 0.234912622601 1.48206692652 1 4.39235199539 -1.62338779407 2.33305194788 1 4.04706318167 1.61793167812 2.90215796291 6 2.76982943896 0.437731877559 -0.782841872202 1 3.30844365759 -0.941827465806 -2.20173367200 1 2.95663454185 2.29447008586 -1.63555338498 6 0.00000000000 0.00000000000 0.00000000000 1 -0.230508410681 -1.86570407362 0.817672243790 1 -1.25343256978 0.149457481471 -1.61416779080 1 -0.583961285311 1.38598079582 1.39357136739 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 18-*- 18 (18)4-CONHHe-Benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 22.5771469666 1.15315062242 -1.33850011954 6 17.8425169573 -0.576156120662 2.234632623383E-03 6 21.1633719312 2.48100690435 0.409962720559 6 21.6107089723 -0.989908679563 -2.48228696960 6 19.2440933876 -1.84630992232 -1.80831765324 6 18.7957098516 1.60947522179 1.08290543351 1 21.8946454585 4.19945910018 1.18536236676 1 22.6855831307 -1.93339152381 -3.91236744583 1 18.4339240240 -3.48182972505 -2.67523222275 1 17.7008464917 2.68987866802 2.39737300535 16 25.6065323789 2.21318301591 -2.12963917739 8 26.1459122384 1.31654885736 -4.62396311682 8 25.7256214254 4.83779591130 -1.48007485887 7 27.4751893457 0.743706108843 -0.237803865057 1 28.0301701289 1.56579060238 1.36866835464 1 28.3270991466 -0.844667304544 -0.800499116961 6 15.2894950371 -1.66650661716 0.597501874580 8 14.3687896107 -3.29889550467 -0.754640571509 7 14.1000853631 -0.805668522375 2.68023465397 1 14.9377893462 0.404137958512 3.84561620167 6 11.5717591707 -1.74173503480 3.34228248627 1 11.5333026393 -3.75907383560 3.02446283844 1 11.2783293185 -1.38337013554 5.33468474421 6 9.48677589010 -0.474256852886 1.76614598946 1 9.86157341390 -0.860340863107 -0.208498546579 1 9.56627349941 1.55562313317 2.04857411438 6 6.84855323045 -1.47113086062 2.48064608058 1 6.79648913596 -3.50501120231 2.20511689137 1 6.49229173351 -1.11341496630 4.47217285833 6 4.73751179529 -0.241051054790 0.898179482966 1 5.09253015610 -0.596968801207 -1.09184063865 1 4.78211518922 1.79347499883 1.17152183930 6 2.09502690272 -1.24324747214 1.59513297750 1 2.05024617966 -3.27578983933 1.31947880152 1 1.74096952081 -0.890659058047 3.58535998154 6 0.00000000000 0.00000000000 0.00000000000 1 -1.108773594534E-02 2.03079721447 0.281447018883 1 -1.84622701379 -0.726603423243 0.512706719913 1 0.300397382099 -0.366813160548 -1.99443311341 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 19-*- 19 (19)4-CONHHe-Benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 25.3713425036 -1.29078949634 0.355162756323 6 20.4999091352 0.573560077356 0.364133120434 6 23.9743069632 -1.31357807398 -1.85095938988 6 24.3252994282 -0.415369237348 2.58530943683 6 21.8910263201 0.513406735149 2.58161342663 6 21.5377263326 -0.374782138985 -1.84407022859 1 24.7750487130 -2.10650345747 -3.53005203392 1 25.3946688774 -0.512004923803 4.29936626465 1 21.0202154713 1.18149772339 4.27815360199 1 20.4612990421 -0.457447519092 -3.55525533127 16 28.4826686810 -2.40691226463 0.326907266351 8 29.0575208275 -3.24882881774 2.83235788148 8 28.7292616886 -4.02045594705 -1.83191149933 7 30.1958247445 4.659798221744E-02 -0.196814783951 1 30.7416402004 0.458650792246 -1.95662063897 1 30.9742895925 0.978036517171 1.24950605113 6 17.8685695062 1.62069402182 0.569037022625 8 16.9121337151 1.98640308405 2.64084945189 7 16.6475838091 2.16728923214 -1.59968433242 1 17.5026399508 2.00396757565 -3.26264024246 6 14.0471178299 3.13731508438 -1.54317890412 1 13.9081475080 4.50575166986 -3.317958501066E-02 1 13.6971642834 4.08287469466 -3.32301791741 6 12.0992929940 1.02487542427 -1.11703967027 1 12.5281848996 0.117796579141 0.666940159516 1 12.2815924673 -0.373262443907 -2.60660342009 6 9.38368726187 2.06734240350 -1.06370511801 1 9.22904530181 3.47641655650 0.421514153709 1 8.97012908132 3.00584669183 -2.84391203155 6 7.40761134032 -2.081885259197E-02 -0.604515659145 1 7.82188979387 -0.959523171789 1.17316216804 1 7.55506462234 -1.43154567156 -2.08911482546 6 4.68976064388 1.01856155618 -0.532987082800 1 4.54337076001 2.42907817719 0.951893386632 1 4.27548433984 1.96002534321 -2.31043907566 6 2.70945778986 -1.06451077238 -7.050369403612E-02 1 2.85286386444 -2.47488702954 -1.55389920638 1 3.12196207310 -2.00541446888 1.70537933166 6 0.00000000000 0.00000000000 0.00000000000 1 -0.461771075272 0.913671943654 -1.77644025194 1 -0.190421763470 1.38528862659 1.49931725663 1 -1.36920746468 -1.48906274881 0.327953965063 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 20-*- 20 (20)3-COOMe-Benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 11.4685180715 0.253882949226 -8.474462535635E-02 6 7.19062762231 3.24008712288 0.100063105919 6 11.6981945344 2.85966170851 -5.025460226330E-03 6 9.11390641423 -0.865650375794 -0.123696384616 6 6.97923343015 0.634543538809 -1.427532296027E-02 6 9.55505127466 4.35118078824 9.532684685333E-02 1 13.5413661906 3.69085706483 -6.389129389547E-02 1 8.91876888683 -2.87372223123 -0.273659463596 1 9.73029667036 6.36630301376 0.149923280749 1 5.51153997987 4.36006666529 0.171835031887 16 14.1803164368 -1.62780845723 -0.158509606474 8 13.5269949162 -3.93158432044 -1.41592020884 8 16.2116408856 -4.732379784424E-02 -0.997852510013 7 14.7447121012 -2.33822596137 2.74112009917 1 15.9564603644 -1.30012762451 3.75021629788 1 14.1388996225 -3.98459255671 3.44001829990 6 4.49608514955 -0.638985724429 -4.506953032958E-02 8 4.18992202766 -2.89676438455 -0.122562411769 8 2.55708715476 1.00698691399 3.114600864628E-02 6 0.00000000000 0.00000000000 0.00000000000 1 -0.302164938377 -1.20073247043 1.62009336211 1 -0.309941716392 -1.07740963200 -1.70308250220 1 -1.21438727312 1.62960151537 6.323176597468E-02 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 21-*- 21 (21)3-COOEt-Benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 12.5848445143 -2.214831781233E-02 0.556478258224 6 8.69629195296 3.40602497997 -5.723269936448E-02 6 13.0257444660 2.53110666373 0.924846545706 6 10.2258217623 -0.866190015754 -0.165582797618 6 8.28185444517 0.853555466819 -0.454524385523 6 11.0752006661 4.24356771448 0.624737865128 1 14.8911255628 3.15299343644 1.39958311957 1 9.89112732565 -2.82590885257 -0.539846964711 1 11.4157005609 6.21883734829 0.902133464441 1 7.16503331060 4.69948758572 -0.303795202784 16 15.0393697888 -2.18719521168 0.989246819228 8 14.5163597802 -4.32176875309 -0.587354319110 8 17.3553269395 -0.795702486332 0.818726761991 7 14.7793750463 -3.13293192845 3.86512438104 1 15.7869088360 -2.30163480721 5.22822520803 1 13.8652542551 -4.74069977974 4.24633706113 6 5.78139757667 -0.128556785263 -1.21687856315 8 5.31207400689 -2.33359527611 -1.57362483306 8 4.05083479163 1.71490480194 -1.47826749077 6 1.48156234900 1.03892914755 -2.24569554271 1 1.58880816976 -0.335516262492 -3.74723401970 1 0.695367135881 2.78399483377 -2.93755013103 6 0.00000000000 0.00000000000 0.00000000000 1 0.820682720015 -1.76544969427 0.618730938225 1 -1.94555130859 -0.332575243843 -0.546772369514 1 3.204009288675E-02 1.34080948406 1.54460114417 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 22-*- 22 (22)3-COOPr-Benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 12.8890154116 0.705277880383 1.14720179930 6 8.63769836124 3.13049528123 -0.667661770817 6 12.7319518701 3.31575026979 1.24953250550 6 10.9569225116 -0.695766556321 9.751807067616E-02 6 8.82613167454 0.523894116806 -0.792591324657 6 10.5992603324 4.52600049228 0.347345586450 1 14.2899506016 4.37073958544 1.99215015759 1 11.1015200706 -2.70670044967 -6.927699906552E-02 1 10.4790321405 6.54467146322 0.418442390861 1 6.97610510274 4.03068091841 -1.38023898390 16 15.5627490576 -0.822518029860 2.33749544115 8 15.8229282919 -3.15406888960 0.991452102556 8 17.5437523161 1.02001916354 2.43592096346 7 14.8684985712 -1.53647032143 5.20844295944 1 15.3767252852 -0.386655890843 6.61698140507 1 14.2248344825 -3.26408243787 5.61723200204 6 6.79347179930 -1.04660415182 -1.88860309653 8 6.85484558388 -3.32298080002 -2.03527859933 8 4.83213012733 0.343458562873 -2.71902399181 6 2.67074070889 -0.942294741451 -3.87107068777 1 3.36885866078 -2.40278957263 -5.11116789488 1 1.73854892126 0.517937139307 -4.94237350117 6 0.939722951498 -2.04419227640 -1.84067995763 1 1.95933960265 -3.50453225416 -0.835936877146 1 -0.651647293680 -2.92949001440 -2.78319830554 6 0.00000000000 0.00000000000 0.00000000000 1 1.58661996457 0.926345928488 0.897351059817 1 -1.18541346184 -0.819158338947 1.45510065788 1 -1.09455253252 1.42063673159 -0.994146730604 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 23-*- 23 (23)3-COOBu-Benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 14.6470472295 -7.927582673955E-02 1.80388763872 6 11.0622537716 3.27640760804 3.297672786334E-02 6 14.7369160592 2.43215177975 2.53444551673 6 12.8070002392 -0.912058450381 0.154696461770 6 11.0072899085 0.769206969645 -0.713259671910 6 12.9364096564 4.10752092444 1.65236698309 1 16.2316861745 3.05537583528 3.74640500018 1 12.7765418719 -2.82982636485 -0.488648395220 1 13.0085282876 6.05136023195 2.20986983423 1 9.65703039613 4.54278939690 -0.674485001885 16 16.8933356488 -2.20308237715 2.96282720847 8 17.1654544206 -4.16922825102 1.12553453199 8 18.9940820965 -0.731414937095 3.82882717480 7 15.6175472951 -3.46311887774 5.41587468911 1 15.9629473681 -2.75343817166 7.13085232509 1 14.7456722210 -5.13162497330 5.26853072316 6 9.06040892940 -0.201291984067 -2.46474864871 8 8.91665151407 -2.36805020959 -3.16600142043 8 7.43567148504 1.60759380764 -3.21024508761 6 5.40076218187 0.941573563734 -4.96333502457 1 6.16223386958 -0.282504725278 -6.40561520272 1 4.83637016269 2.72590185916 -5.76743153053 6 3.22465398359 -0.335499112468 -3.56255615145 1 3.88723544293 -2.11837323163 -2.80741591652 1 1.74866488564 -0.745640292260 -4.92795366683 6 2.15777787507 1.32856537299 -1.43129092786 1 3.66996182072 1.79605579868 -0.134672107749 1 1.47023890202 3.09083857609 -2.22749999210 6 0.00000000000 0.00000000000 0.00000000000 1 0.661722965582 -1.74919959851 0.839514279590 1 -1.54647644809 -0.446140232212 -1.26996230476 1 -0.727968804225 1.19296015340 1.49826125964 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 24-*- 24 (24)3-COOAm-Benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 15.5857849743 2.50320656099 0.283104929214 6 11.9477519901 0.265601364238 3.28437285011 6 15.1955234303 3.36567685925 2.72303913602 6 14.2038763741 0.497554258416 -0.647661747916 6 12.3742206362 -0.605351099315 0.854284478855 6 13.3682924883 2.24861319012 4.21990499323 1 16.3483931819 4.86699644976 3.43623300903 1 14.5543395539 -0.237668026400 -2.49948825580 1 13.0702409063 2.90891395441 6.10928177806 1 10.5310380305 -0.627420012301 4.41320849100 16 17.8598567324 3.95209746352 -1.62172524400 8 18.7246316588 2.10003952192 -3.39305718978 8 19.5485828687 5.27043805899 3.332421045498E-02 7 16.3526751617 6.05530532866 -3.21458285065 1 16.2877289981 7.83925689734 -2.60008498958 1 15.7620921959 5.66282364226 -4.96475175520 6 10.9261991062 -2.73934165237 -0.217717962227 8 11.2112867513 -3.56550578716 -2.32576443131 8 9.22808002934 -3.68331144731 1.42320904916 6 7.65066414100 -5.81774380506 0.640304126689 1 8.82071748940 -7.15621820509 -0.358783329084 1 6.99270053459 -6.61630905892 2.39477751901 6 5.46203196849 -4.91892323018 -1.01274104247 1 6.22602062455 -4.15077443319 -2.74881388687 1 4.32660876757 -6.55719901915 -1.50059706313 6 3.81022818439 -2.93864875015 0.328451222165 1 4.98612332835 -1.35786442271 0.886479934850 1 3.02892012671 -3.75377032467 2.04422241597 6 1.63642050633 -1.98970683456 -1.35674452754 1 2.41628486484 -1.18059849219 -3.07320260399 1 0.462496694661 -3.57825723366 -1.91235718356 6 0.00000000000 0.00000000000 0.00000000000 1 1.13447941182 1.62193403769 0.534071373188 1 -1.51941548009 0.652609453841 -1.20996019667 1 -0.830356562624 -0.787529838203 1.70103117294 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 25-*- 25 (25)2-COOMe-benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 9.26469825960 0.115285438213 -5.602854143508E-02 6 8.90111764100 5.35497468651 8.681940341105E-02 6 11.4097864923 1.59905547080 -0.153496608731 6 6.90102826773 1.27659703106 0.121109180156 6 6.74099248895 3.88491244059 0.165963045889 6 11.2344114430 4.20930265253 -6.255358505758E-02 1 13.2029651149 0.690067146858 -0.332869222329 1 4.91634236085 4.74022266935 0.267208797472 1 12.9216504644 5.32583042416 -0.133810409638 1 8.74839085222 7.37267249301 0.134114468929 16 9.76448277031 -3.17404154533 -0.448864274029 8 8.18475360011 -3.96865751580 -2.48854735857 8 12.4546734796 -3.50326075693 -0.610213476162 7 8.92467136886 -4.45646753767 2.14482921918 1 10.2431620698 -5.22714964795 3.25198681208 1 7.07989398976 -4.55692328763 2.54627661606 6 4.52133719170 -0.184152075081 0.383547755878 8 4.34348147821 -2.34540718155 1.11074156783 8 2.47518935531 1.19185889266 -0.193306328359 6 0.00000000000 0.00000000000 0.00000000000 1 -7.460263631415E-02 -1.64179424510 -1.20474191880 1 -1.31575870364 1.42212578121 -0.614209049095 1 -0.363257043169 -0.553737627033 1.92823868659 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 26-*- 26 (26)2-COOEt-Benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 11.3367716383 0.479957878123 -0.211701813864 6 9.91283355017 5.52627294621 0.122324439253 6 13.1094071907 2.37986696296 -0.459016766383 6 8.81210181969 1.12010347363 0.215014505951 6 8.12108703280 3.63691302826 0.352669963516 6 12.4077769916 4.89484133441 -0.272914145164 1 15.0261457308 1.86696338866 -0.829065576270 1 6.17683311062 4.09071914969 0.644092393832 1 13.8129360100 6.33971611628 -0.462987215236 1 9.35138461090 7.46702007216 0.244526551406 16 12.4645394970 -2.62821017575 -0.748870410789 8 10.8929991748 -3.71263280440 -2.65719867558 8 15.1362833170 -2.38798583485 -1.16852312081 7 12.1622563913 -4.08630134754 1.87003594546 1 13.7111587273 -4.57136404811 2.83110564326 1 10.4239104276 -4.56437635805 2.44011633588 6 6.81903160944 -0.807717768794 0.651089527975 8 7.16751871129 -2.96382868056 1.33405983408 8 4.48913310307 0.112238657562 0.298524010450 6 2.31484384332 -1.56351766927 0.674506705905 1 2.53636847015 -3.18964916566 -0.534052875992 1 2.29626469639 -2.18422557544 2.61706518566 6 0.00000000000 0.00000000000 0.00000000000 1 -1.69647044037 -1.12422812599 0.222433488565 1 0.128889728777 0.633956863146 -1.93879434086 1 -0.123625293778 1.63626640210 1.21970326820 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 27-*- 27 (27)2-COOPr-Benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 -0.470483910035 1 9.44452604117 -1.49995196961 2.66704929840 6 7.37108093609 0.854287610995 1.734527150759E-02 1 7.61366338901 1.44773687771 -1.92689209145 1 7.47778975654 2.52238283006 1.20074275147 6 4.78882663769 -0.444734584299 0.354113525096 1 4.70749921602 -2.12502550353 -0.822555620058 1 4.57335965214 -1.05228778353 2.30363189092 6 2.57553121143 1.31229391468 -0.343894546471 1 2.78329092531 1.91728532693 -2.29274482374 1 2.65176999690 2.99354878496 0.829058310700 6 0.00000000000 0.00000000000 0.00000000000 1 -0.125377362310 -1.66504559059 -1.18907029251 1 -1.53757065436 1.25870364441 -0.499122788241 1 -0.258144137117 -0.583537916680 1.94819414038 ------------------------------------------------ 6 13.9358225213 0.153014445547 -0.152466285626 6 13.2120244621 5.35180290601 7.739397687334E-02 6 15.9588899669 1.78733324057 -0.375889416314 6 11.5131875291 1.14037635700 0.196870758570 6 11.1721196430 3.73016907328 0.283578107183 6 15.6054801437 4.37749589091 -0.241873214732 1 17.7957499974 1.01033339256 -0.686381183962 1 9.30215250309 4.45138875513 0.516741766361 1 17.2004786707 5.61258532865 -0.412568990872 1 12.9200534398 7.35306852085 0.158947101466 16 14.6385662968 -3.08917438339 -0.618325771357 8 12.9829841569 -3.97863882067 -2.55629634291 8 17.3280596791 -3.22503357008 -0.965583289199 7 14.0704542433 -4.44863109061 2.00974578594 1 15.5125884005 -5.12777389117 3.01833045961 1 12.2685383111 -4.67417312489 2.53696889077 6 9.26323690922 -0.488809452805 0.602724545484 8 9.29491238382 -2.66084312468 1.32243443660 8 7.09206338736 0.736288782930 0.174078311461 6 4.69729190102 -0.612780931055 0.507397352913 1 4.72148599808 -2.28000737659 -0.667351016358 1 4.52987978303 -1.18308205759 2.45995398997 6 2.62585195365 1.22743067704 -0.263788954883 1 2.95269493429 1.80347690734 -2.19934205105 1 2.75325706528 2.89482254287 0.915981633307 6 0.00000000000 0.00000000000 0.00000000000 1 -0.153902767383 -1.65858381190 -1.19429233426 1 -1.46689918067 1.31653431258 -0.551891843297 1 -0.352277035792 -0.566917747795 1.93826866279 ------------------------------------------------ ------------------------------------------------ -- Optimal Molecular Coordinates Between: --> 29-*- 29 (29)2-COOAm-Benzenesulfonamide --> 28-*- 28 (28)2-COOBu-Benzenesulfonamide ------------------------------------------------ 6 18.7116078532 0.179941623792 -0.223490831497 6 17.8121062039 5.34841158057 6.352223120158E-02 6 20.6683252511 1.88642774568 -0.494485005609 6 16.2670950724 1.07879456555 0.203493143131 6 15.8376058732 3.65426169883 0.318253691221 6 20.2280090274 4.46156864558 -0.332211810420 1 22.5215674550 1.17690845173 -0.863454469977 1 13.9509927215 4.30699667615 0.611265181470 1 21.7727909105 5.75335393341 -0.540736738768 1 17.4522287124 7.33755429551 0.167556127383 16 19.5156346753 -3.03200523519 -0.732537068475 8 17.8391142640 -3.96852525344 -2.63002742822 8 22.1974453846 -3.06988628979 -1.15653641993 7 19.0720954718 -4.42679967783 1.90129555603 1 20.5657743122 -5.06943956401 2.85737561055 1 17.2951883609 -4.71943557566 2.47814193272 6 14.0890342764 -0.631377007096 0.664347016948 8 14.2199260193 -2.80654521865 1.36365395980 8 11.8642578836 0.519271036169 0.313732955436 6 9.52891865740 -0.915385155553 0.713425760252 1 9.57728370483 -2.57539988218 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19.8036465085 2.00906550692 -1.06043390400 1 10.9903330789 4.17562947223 0.688674428556 1 18.5722918001 6.47390207293 -0.663405919855 1 14.1276620849 7.57252971603 0.183114815867 16 17.2761574899 -2.50297264351 -0.895561489345 8 15.6543753496 -3.59949670574 -2.75447291444 8 19.9324684506 -2.24622361587 -1.39657042971 7 17.0646506348 -3.96111308298 1.73259153401 1 18.6464721034 -4.44014865459 2.64176073537 1 15.3476631458 -4.44898481044 2.35701331457 6 11.6650015657 -0.718905632055 0.680754973807 8 12.0506368891 -2.87188961703 1.35396554559 8 9.31948400234 0.185261718533 0.401712140685 6 7.16610883070 -1.49857652909 0.847165140363 1 7.35929697177 -3.13144676888 -0.359681309367 1 7.20230613898 -2.10906194534 2.79437663212 6 4.81044265094 3.377628872247E-02 0.234635473099 1 4.93189703623 0.673057945575 -1.70641359193 1 4.76741406018 1.69007461922 1.43851765039 6 2.39224604495 -1.53911128961 0.619061043252 1 2.46065339223 -3.20227421274 -0.579898079454 1 2.29911003632 -2.19004035202 2.56264874712 6 0.00000000000 0.00000000000 0.00000000000 1 -1.68618263348 -1.12910279689 0.277565830979 1 3.477680435525E-02 0.631869804298 -1.94928270451 1 -0.127875235626 1.65115179680 1.20766551630 ------------------------------------------------