--------------------------------------- ----------Bimolecular QSM-------------- --------------------------------------- Polyphenols for Toxicity on T. Piryformis (A. O. Aptula et al; Chem. Res. T ASA basis set: Huzinaga ASA Kind: 3 Number of Molecules : 23 --------------------------------------- -----------Molecules: --> 2-*- 2 2-(2-hydroxyethyl)resorcinol !2 --> 1-*- 1 1,3,5-trihydroxybenzene !1 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 5 Overlap : 112.045028307 Overlap scaled : 2.070307248829E-02 Overlap Similarity Index A-B: 0.218693536290 Overlap Distance Index A-B : 28.3387144174 --------------------------------------- --------------------------------------- -----------Molecules: --> 3-*- 3 resorcinol !3 --> 1-*- 1 1,3,5-trihydroxybenzene !1 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 5 Overlap : 371.926061908 Overlap scaled : 9.715936831455E-02 Overlap Similarity Index A-B: 0.864798684798 Overlap Distance Index A-B : 11.0027372616 --------------------------------------- --------------------------------------- -----------Molecules: --> 3-*- 3 resorcinol !3 --> 2-*- 2 2-(2-hydroxyethyl)resorcinol !2 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 5 Overlap : 116.072644778 Overlap scaled : 2.440551824598E-02 Overlap Similarity Index A-B: 0.251696833846 Overlap Distance Index A-B : 26.5394034895 --------------------------------------- --------------------------------------- -----------Molecules: --> 4-*- 4 5-methylresorcinol !4 --> 1-*- 1 1,3,5-trihydroxybenzene !1 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 9 9 Overlap : 340.321208955 Overlap scaled : 7.812699930105E-02 Overlap Similarity Index A-B: 0.756655935565 Overlap Distance Index A-B : 14.8506606051 --------------------------------------- --------------------------------------- -----------Molecules: --> 4-*- 4 5-methylresorcinol !4 --> 2-*- 2 2-(2-hydroxyethyl)resorcinol !2 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 5 Overlap : 113.808448950 Overlap scaled : 2.102890778826E-02 Overlap Similarity Index A-B: 0.235979021487 Overlap Distance Index A-B : 27.2972620695 --------------------------------------- --------------------------------------- -----------Molecules: --> 4-*- 4 5-methylresorcinol !4 --> 3-*- 3 resorcinol !3 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 3 Overlap : 379.056890793 Overlap scaled : 9.902217627816E-02 Overlap Similarity Index A-B: 0.936307149557 Overlap Distance Index A-B : 7.23762339608 --------------------------------------- --------------------------------------- -----------Molecules: --> 5-*- 5 2-nitroresorcinol !5 --> 1-*- 1 1,3,5-trihydroxybenzene !1 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 1 Overlap : 300.090978419 Overlap scaled : 5.683541257927E-02 Overlap Similarity Index A-B: 0.557239105692 Overlap Distance Index A-B : 22.0136571310 --------------------------------------- --------------------------------------- -----------Molecules: --> 5-*- 5 2-nitroresorcinol !5 --> 2-*- 2 2-(2-hydroxyethyl)resorcinol !2 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 11 9 Overlap : 134.455518684 Overlap scaled : 2.049626809209E-02 Overlap Similarity Index A-B: 0.232839545546 Overlap Distance Index A-B : 29.7900133571 --------------------------------------- --------------------------------------- -----------Molecules: --> 5-*- 5 2-nitroresorcinol !5 --> 3-*- 3 resorcinol !3 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 5 Overlap : 287.841024340 Overlap scaled : 6.203470352153E-02 Overlap Similarity Index A-B: 0.593807740295 Overlap Distance Index A-B : 20.4551569079 --------------------------------------- --------------------------------------- -----------Molecules: --> 5-*- 5 2-nitroresorcinol !5 --> 4-*- 4 5-methylresorcinol !4 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 5 Overlap : 285.814307751 Overlap scaled : 5.413149768008E-02 Overlap Similarity Index A-B: 0.563803993227 Overlap Distance Index A-B : 21.4181947082 --------------------------------------- --------------------------------------- -----------Molecules: --> 6-*- 6 3-methylcatechol !6 --> 1-*- 1 1,3,5-trihydroxybenzene !1 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 2 5 Overlap : 273.675164970 Overlap scaled : 6.282717285822E-02 Overlap Similarity Index A-B: 0.608056987603 Overlap Distance Index A-B : 18.8260612007 --------------------------------------- --------------------------------------- -----------Molecules: --> 6-*- 6 3-methylcatechol !6 --> 2-*- 2 2-(2-hydroxyethyl)resorcinol !2 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 2 5 Overlap : 112.306661962 Overlap scaled : 2.075141573571E-02 Overlap Similarity Index A-B: 0.232704015617 Overlap Distance Index A-B : 27.3629395793 --------------------------------------- --------------------------------------- -----------Molecules: --> 6-*- 6 3-methylcatechol !6 --> 3-*- 3 resorcinol !3 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 2 5 Overlap : 216.835077662 Overlap scaled : 5.664448214777E-02 Overlap Similarity Index A-B: 0.535233084435 Overlap Distance Index A-B : 19.4271251255 --------------------------------------- --------------------------------------- -----------Molecules: --> 6-*- 6 3-methylcatechol !6 --> 4-*- 4 5-methylresorcinol !4 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 11 Overlap : 277.095565401 Overlap scaled : 6.361238875129E-02 Overlap Similarity Index A-B: 0.654024481775 Overlap Distance Index A-B : 17.1220443411 --------------------------------------- --------------------------------------- -----------Molecules: --> 6-*- 6 3-methylcatechol !6 --> 5-*- 5 2-nitroresorcinol !5 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 2 5 Overlap : 252.153332055 Overlap scaled : 4.775631288928E-02 Overlap Similarity Index A-B: 0.497059479317 Overlap Distance Index A-B : 22.9487992694 --------------------------------------- --------------------------------------- -----------Molecules: --> 7-*- 7 4-methylcatechol !7 --> 1-*- 1 1,3,5-trihydroxybenzene !1 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 2 3 Overlap : 290.119000391 Overlap scaled : 6.660215803280E-02 Overlap Similarity Index A-B: 0.644791689486 Overlap Distance Index A-B : 17.9240244031 --------------------------------------- --------------------------------------- -----------Molecules: --> 7-*- 7 4-methylcatechol !7 --> 2-*- 2 2-(2-hydroxyethyl)resorcinol !2 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 2 5 Overlap : 111.897514608 Overlap scaled : 2.067581570733E-02 Overlap Similarity Index A-B: 0.231927989257 Overlap Distance Index A-B : 27.3730980789 --------------------------------------- --------------------------------------- -----------Molecules: --> 7-*- 7 4-methylcatechol !7 --> 3-*- 3 resorcinol !3 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 2 5 Overlap : 271.910864191 Overlap scaled : 7.103209618367E-02 Overlap Similarity Index A-B: 0.671389175188 Overlap Distance Index A-B : 16.3401150208 --------------------------------------- --------------------------------------- -----------Molecules: --> 7-*- 7 4-methylcatechol !7 --> 4-*- 4 5-methylresorcinol !4 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 9 Overlap : 298.679671865 Overlap scaled : 6.856741778361E-02 Overlap Similarity Index A-B: 0.705187262629 Overlap Distance Index A-B : 15.8029722141 --------------------------------------- --------------------------------------- -----------Molecules: --> 7-*- 7 4-methylcatechol !7 --> 5-*- 5 2-nitroresorcinol !5 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 2 5 Overlap : 217.500520997 Overlap scaled : 4.119328049183E-02 Overlap Similarity Index A-B: 0.428882488895 Overlap Distance Index A-B : 24.4067767502 --------------------------------------- --------------------------------------- -----------Molecules: --> 7-*- 7 4-methylcatechol !7 --> 6-*- 6 3-methylcatechol !6 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 2 2 Overlap : 378.858843758 Overlap scaled : 8.697402290131E-02 Overlap Similarity Index A-B: 0.893872734732 Overlap Distance Index A-B : 9.48482783021 --------------------------------------- --------------------------------------- -----------Molecules: --> 8-*- 8 catechol !8 --> 1-*- 1 1,3,5-trihydroxybenzene !1 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 13 11 Overlap : 112.487079595 Overlap scaled : 2.938533949717E-02 Overlap Similarity Index A-B: 0.261418279928 Overlap Distance Index A-B : 25.3049340214 --------------------------------------- --------------------------------------- -----------Molecules: --> 8-*- 8 catechol !8 --> 2-*- 2 2-(2-hydroxyethyl)resorcinol !2 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 13 9 Overlap : 106.721252068 Overlap scaled : 2.243928765092E-02 Overlap Similarity Index A-B: 0.231298963370 Overlap Distance Index A-B : 26.8969183542 --------------------------------------- --------------------------------------- -----------Molecules: --> 8-*- 8 catechol !8 --> 3-*- 3 resorcinol !3 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 11 11 Overlap : 241.957277949 Overlap scaled : 7.192546906913E-02 Overlap Similarity Index A-B: 0.624707207784 Overlap Distance Index A-B : 17.0502705202 --------------------------------------- --------------------------------------- -----------Molecules: --> 8-*- 8 catechol !8 --> 4-*- 4 5-methylresorcinol !4 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 11 9 Overlap : 117.964616968 Overlap scaled : 3.081625312645E-02 Overlap Similarity Index A-B: 0.291233016005 Overlap Distance Index A-B : 23.9785160931 --------------------------------------- --------------------------------------- -----------Molecules: --> 8-*- 8 catechol !8 --> 5-*- 5 2-nitroresorcinol !5 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 2 Overlap : 188.129562958 Overlap scaled : 4.054516443058E-02 Overlap Similarity Index A-B: 0.387904762477 Overlap Distance Index A-B : 24.8643894123 --------------------------------------- --------------------------------------- -----------Molecules: --> 8-*- 8 catechol !8 --> 6-*- 6 3-methylcatechol !6 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 6 4 Overlap : 187.002821302 Overlap scaled : 4.885131173001E-02 Overlap Similarity Index A-B: 0.461356317422 Overlap Distance Index A-B : 20.9160033781 --------------------------------------- --------------------------------------- -----------Molecules: --> 8-*- 8 catechol !8 --> 7-*- 7 4-methylcatechol !7 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 13 12 Overlap : 299.195148143 Overlap scaled : 7.815965207506E-02 Overlap Similarity Index A-B: 0.738375407440 Overlap Distance Index A-B : 14.5887725646 --------------------------------------- --------------------------------------- -----------Molecules: --> 9-*- 9 4-nitrocatechol !9 --> 1-*- 1 1,3,5-trihydroxybenzene !1 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 12 14 Overlap : 128.833383286 Overlap scaled : 2.440026198603E-02 Overlap Similarity Index A-B: 0.239104520153 Overlap Distance Index A-B : 28.7707752034 --------------------------------------- --------------------------------------- -----------Molecules: --> 9-*- 9 4-nitrocatechol !9 --> 2-*- 2 2-(2-hydroxyethyl)resorcinol !2 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 20 Overlap : 112.437757846 Overlap scaled : 1.713990211065E-02 Overlap Similarity Index A-B: 0.194608145690 Overlap Distance Index A-B : 30.5306670866 --------------------------------------- --------------------------------------- -----------Molecules: --> 9-*- 9 4-nitrocatechol !9 --> 3-*- 3 resorcinol !3 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 14 9 Overlap : 253.100381932 Overlap scaled : 5.454749610612E-02 Overlap Similarity Index A-B: 0.521863221244 Overlap Distance Index A-B : 22.1028492326 --------------------------------------- --------------------------------------- -----------Molecules: --> 9-*- 9 4-nitrocatechol !9 --> 4-*- 4 5-methylresorcinol !4 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 15 9 Overlap : 132.209927339 Overlap scaled : 2.503975896572E-02 Overlap Similarity Index A-B: 0.260662751808 Overlap Distance Index A-B : 27.6873444130 --------------------------------------- --------------------------------------- -----------Molecules: --> 9-*- 9 4-nitrocatechol !9 --> 5-*- 5 2-nitroresorcinol !5 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 16 16 Overlap : 328.313052029 Overlap scaled : 5.129891437953E-02 Overlap Similarity Index A-B: 0.540607761756 Overlap Distance Index A-B : 23.6216280146 --------------------------------------- --------------------------------------- -----------Molecules: --> 9-*- 9 4-nitrocatechol !9 --> 6-*- 6 3-methylcatechol !6 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 5 Overlap : 200.567357766 Overlap scaled : 3.798624200123E-02 Overlap Similarity Index A-B: 0.395161503950 Overlap Distance Index A-B : 25.1089735303 --------------------------------------- --------------------------------------- -----------Molecules: --> 9-*- 9 4-nitrocatechol !9 --> 7-*- 7 4-methylcatechol !7 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 12 12 Overlap : 279.656254589 Overlap scaled : 5.296519973280E-02 Overlap Similarity Index A-B: 0.551154397865 Overlap Distance Index A-B : 21.7260327581 --------------------------------------- --------------------------------------- -----------Molecules: --> 9-*- 9 4-nitrocatechol !9 --> 8-*- 8 catechol !8 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 6 5 Overlap : 244.888417995 Overlap scaled : 5.277767629206E-02 Overlap Similarity Index A-B: 0.504669476018 Overlap Distance Index A-B : 22.4802439050 --------------------------------------- --------------------------------------- -----------Molecules: --> 10-*- 10 2,3-dihydroxybenzaldehyde !10 --> 1-*- 1 1,3,5-trihydroxybenzene !1 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 7 11 Overlap : 110.340616590 Overlap scaled : 2.321982672343E-02 Overlap Similarity Index A-B: 0.224265933144 Overlap Distance Index A-B : 27.6361558425 --------------------------------------- --------------------------------------- -----------Molecules: --> 10-*- 10 2,3-dihydroxybenzaldehyde !10 --> 2-*- 2 2-(2-hydroxyethyl)resorcinol !2 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 12 11 Overlap : 117.617274842 Overlap scaled : 1.992162514257E-02 Overlap Similarity Index A-B: 0.222940246669 Overlap Distance Index A-B : 28.6492001515 --------------------------------------- --------------------------------------- -----------Molecules: --> 10-*- 10 2,3-dihydroxybenzaldehyde !10 --> 3-*- 3 resorcinol !3 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 2 2 Overlap : 244.024904442 Overlap scaled : 5.843508248140E-02 Overlap Similarity Index A-B: 0.551018992347 Overlap Distance Index A-B : 20.1420200014 --------------------------------------- --------------------------------------- -----------Molecules: --> 10-*- 10 2,3-dihydroxybenzaldehyde !10 --> 4-*- 4 5-methylresorcinol !4 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 7 9 Overlap : 111.060057657 Overlap scaled : 2.337122425445E-02 Overlap Similarity Index A-B: 0.239795666568 Overlap Distance Index A-B : 26.6064437790 --------------------------------------- --------------------------------------- -----------Molecules: --> 10-*- 10 2,3-dihydroxybenzaldehyde !10 --> 5-*- 5 2-nitroresorcinol !5 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 4 Overlap : 258.958127310 Overlap scaled : 4.495800821355E-02 Overlap Similarity Index A-B: 0.466973462485 Overlap Distance Index A-B : 24.4070733611 --------------------------------------- --------------------------------------- -----------Molecules: --> 10-*- 10 2,3-dihydroxybenzaldehyde !10 --> 6-*- 6 3-methylcatechol !6 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 3 Overlap : 292.664494983 Overlap scaled : 6.158764625063E-02 Overlap Similarity Index A-B: 0.631470318221 Overlap Distance Index A-B : 18.5817207994 --------------------------------------- --------------------------------------- -----------Molecules: --> 10-*- 10 2,3-dihydroxybenzaldehyde !10 --> 7-*- 7 4-methylcatechol !7 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 6 6 Overlap : 285.258185053 Overlap scaled : 6.002907934623E-02 Overlap Similarity Index A-B: 0.615680475842 Overlap Distance Index A-B : 18.9692042278 --------------------------------------- --------------------------------------- -----------Molecules: --> 10-*- 10 2,3-dihydroxybenzaldehyde !10 --> 8-*- 8 catechol !8 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 6 5 Overlap : 243.850197205 Overlap scaled : 5.839324645714E-02 Overlap Similarity Index A-B: 0.550339177287 Overlap Distance Index A-B : 20.1606517297 --------------------------------------- --------------------------------------- -----------Molecules: --> 10-*- 10 2,3-dihydroxybenzaldehyde !10 --> 9-*- 9 4-nitrocatechol !9 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 7 10 Overlap : 351.379159354 Overlap scaled : 6.100332627678E-02 Overlap Similarity Index A-B: 0.633299845294 Overlap Distance Index A-B : 20.2855707641 --------------------------------------- --------------------------------------- -----------Molecules: --> 11-*- 11 (Pyrogallol)1,2,3-trihydroxybenzene !11 --> 1-*- 1 1,3,5-trihydroxybenzene !1 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 5 Overlap : 295.028368720 Overlap scaled : 6.772919392109E-02 Overlap Similarity Index A-B: 0.617024554839 Overlap Distance Index A-B : 19.1373269814 --------------------------------------- --------------------------------------- -----------Molecules: --> 11-*- 11 (Pyrogallol)1,2,3-trihydroxybenzene !11 --> 2-*- 2 2-(2-hydroxyethyl)resorcinol !2 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 5 Overlap : 118.226143770 Overlap scaled : 2.184518547110E-02 Overlap Similarity Index A-B: 0.230590630695 Overlap Distance Index A-B : 28.1320921718 --------------------------------------- --------------------------------------- -----------Molecules: --> 11-*- 11 (Pyrogallol)1,2,3-trihydroxybenzene !11 --> 3-*- 3 resorcinol !3 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 5 Overlap : 285.269244790 Overlap scaled : 7.452174628778E-02 Overlap Similarity Index A-B: 0.662823866103 Overlap Distance Index A-B : 17.1775425351 --------------------------------------- --------------------------------------- -----------Molecules: --> 11-*- 11 (Pyrogallol)1,2,3-trihydroxybenzene !11 --> 4-*- 4 5-methylresorcinol !4 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 5 Overlap : 318.854933873 Overlap scaled : 7.319902063204E-02 Overlap Similarity Index A-B: 0.708414343274 Overlap Distance Index A-B : 16.2532697212 --------------------------------------- --------------------------------------- -----------Molecules: --> 11-*- 11 (Pyrogallol)1,2,3-trihydroxybenzene !11 --> 5-*- 5 2-nitroresorcinol !5 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 1 4 Overlap : 274.661996012 Overlap scaled : 5.201931742654E-02 Overlap Similarity Index A-B: 0.509649960902 Overlap Distance Index A-B : 23.1549815623 --------------------------------------- --------------------------------------- -----------Molecules: --> 11-*- 11 (Pyrogallol)1,2,3-trihydroxybenzene !11 --> 6-*- 6 3-methylcatechol !6 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 6 3 Overlap : 364.178774809 Overlap scaled : 8.360394279366E-02 Overlap Similarity Index A-B: 0.808552644582 Overlap Distance Index A-B : 13.1949788448 --------------------------------------- --------------------------------------- -----------Molecules: --> 11-*- 11 (Pyrogallol)1,2,3-trihydroxybenzene !11 --> 7-*- 7 4-methylcatechol !7 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 1 Overlap : 342.880450310 Overlap scaled : 7.871452027314E-02 Overlap Similarity Index A-B: 0.761501493344 Overlap Distance Index A-B : 14.7119630581 --------------------------------------- --------------------------------------- -----------Molecules: --> 11-*- 11 (Pyrogallol)1,2,3-trihydroxybenzene !11 --> 8-*- 8 catechol !8 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 3 Overlap : 194.643859730 Overlap scaled : 5.084740327317E-02 Overlap Similarity Index A-B: 0.452021191109 Overlap Distance Index A-B : 21.8339238713 --------------------------------------- --------------------------------------- -----------Molecules: --> 11-*- 11 (Pyrogallol)1,2,3-trihydroxybenzene !11 --> 9-*- 9 4-nitrocatechol !9 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 10 Overlap : 252.460441596 Overlap scaled : 4.781447757501E-02 Overlap Similarity Index A-B: 0.468206553553 Overlap Distance Index A-B : 24.1080379800 --------------------------------------- --------------------------------------- -----------Molecules: --> 11-*- 11 (Pyrogallol)1,2,3-trihydroxybenzene !11 --> 10-*- 10 2,3-dihydroxybenzaldehyde !10 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 6 4 Overlap : 299.848180032 Overlap scaled : 6.309936448477E-02 Overlap Similarity Index A-B: 0.608995515545 Overlap Distance Index A-B : 19.6325263002 --------------------------------------- --------------------------------------- -----------Molecules: --> 12-*- 12 1,2,4-trihydroxybenzene !12 --> 1-*- 1 1,3,5-trihydroxybenzene !1 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 4 Overlap : 364.331663297 Overlap scaled : 8.363904116083E-02 Overlap Similarity Index A-B: 0.762263706438 Overlap Distance Index A-B : 15.0750454450 --------------------------------------- --------------------------------------- -----------Molecules: --> 12-*- 12 1,2,4-trihydroxybenzene !12 --> 2-*- 2 2-(2-hydroxyethyl)resorcinol !2 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 5 Overlap : 110.486865274 Overlap scaled : 2.041516357616E-02 Overlap Similarity Index A-B: 0.215579986919 Overlap Distance Index A-B : 28.3992863869 --------------------------------------- --------------------------------------- -----------Molecules: --> 12-*- 12 1,2,4-trihydroxybenzene !12 --> 3-*- 3 resorcinol !3 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 1 2 Overlap : 272.239290595 Overlap scaled : 7.111789200484E-02 Overlap Similarity Index A-B: 0.632795884380 Overlap Distance Index A-B : 17.9096112817 --------------------------------------- --------------------------------------- -----------Molecules: --> 12-*- 12 1,2,4-trihydroxybenzene !12 --> 4-*- 4 5-methylresorcinol !4 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 6 Overlap : 275.481774437 Overlap scaled : 6.324191332353E-02 Overlap Similarity Index A-B: 0.612289387792 Overlap Distance Index A-B : 18.7227507549 --------------------------------------- --------------------------------------- -----------Molecules: --> 12-*- 12 1,2,4-trihydroxybenzene !12 --> 5-*- 5 2-nitroresorcinol !5 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 5 Overlap : 238.593923636 Overlap scaled : 4.518824311287E-02 Overlap Similarity Index A-B: 0.442896714788 Overlap Distance Index A-B : 24.6559448457 --------------------------------------- --------------------------------------- -----------Molecules: --> 12-*- 12 1,2,4-trihydroxybenzene !12 --> 6-*- 6 3-methylcatechol !6 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 1 Overlap : 227.411301495 Overlap scaled : 5.220645121568E-02 Overlap Similarity Index A-B: 0.505097677394 Overlap Distance Index A-B : 21.1487284174 --------------------------------------- --------------------------------------- -----------Molecules: --> 12-*- 12 1,2,4-trihydroxybenzene !12 --> 7-*- 7 4-methylcatechol !7 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 12 10 Overlap : 366.272485679 Overlap scaled : 8.408459267191E-02 Overlap Similarity Index A-B: 0.813770584721 Overlap Distance Index A-B : 13.0109218203 --------------------------------------- --------------------------------------- -----------Molecules: --> 12-*- 12 1,2,4-trihydroxybenzene !12 --> 8-*- 8 catechol !8 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 13 Overlap : 298.795015783 Overlap scaled : 7.805512429036E-02 Overlap Similarity Index A-B: 0.694162410396 Overlap Distance Index A-B : 16.3720560663 --------------------------------------- --------------------------------------- -----------Molecules: --> 12-*- 12 1,2,4-trihydroxybenzene !12 --> 9-*- 9 4-nitrocatechol !9 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 14 14 Overlap : 396.229116902 Overlap scaled : 7.504339335273E-02 Overlap Similarity Index A-B: 0.735123309350 Overlap Distance Index A-B : 17.1256078712 --------------------------------------- --------------------------------------- -----------Molecules: --> 12-*- 12 1,2,4-trihydroxybenzene !12 --> 10-*- 10 2,3-dihydroxybenzaldehyde !10 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 2 Overlap : 270.369789994 Overlap scaled : 5.689599957789E-02 Overlap Similarity Index A-B: 0.549339082117 Overlap Distance Index A-B : 21.0717623689 --------------------------------------- --------------------------------------- -----------Molecules: --> 12-*- 12 1,2,4-trihydroxybenzene !12 --> 11-*- 11 (Pyrogallol)1,2,3-trihydroxybenzene !11 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 5 Overlap : 346.230620422 Overlap scaled : 7.948361350364E-02 Overlap Similarity Index A-B: 0.723866663039 Overlap Distance Index A-B : 16.2527901290 --------------------------------------- --------------------------------------- -----------Molecules: --> 13-*- 13 4,6-dinitro-1,2,3-trihydroxybenzene !13 --> 1-*- 1 1,3,5-trihydroxybenzene !1 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 11 Overlap : 342.568697225 Overlap scaled : 4.718577096759E-02 Overlap Similarity Index A-B: 0.517495187844 Overlap Distance Index A-B : 26.6421588867 --------------------------------------- --------------------------------------- -----------Molecules: --> 13-*- 13 4,6-dinitro-1,2,3-trihydroxybenzene !13 --> 2-*- 2 2-(2-hydroxyethyl)resorcinol !2 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 18 20 Overlap : 116.435302598 Overlap scaled : 1.290857013283E-02 Overlap Similarity Index A-B: 0.164033586003 Overlap Distance Index A-B : 35.1232728467 --------------------------------------- --------------------------------------- -----------Molecules: --> 13-*- 13 4,6-dinitro-1,2,3-trihydroxybenzene !13 --> 3-*- 3 resorcinol !3 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 5 Overlap : 282.913483462 Overlap scaled : 4.434380618520E-02 Overlap Similarity Index A-B: 0.474806659348 Overlap Distance Index A-B : 27.1740223993 --------------------------------------- --------------------------------------- -----------Molecules: --> 13-*- 13 4,6-dinitro-1,2,3-trihydroxybenzene !13 --> 4-*- 4 5-methylresorcinol !4 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 9 Overlap : 294.556014291 Overlap scaled : 4.057245375909E-02 Overlap Similarity Index A-B: 0.472696154356 Overlap Distance Index A-B : 27.4119429986 --------------------------------------- --------------------------------------- -----------Molecules: --> 13-*- 13 4,6-dinitro-1,2,3-trihydroxybenzene !13 --> 5-*- 5 2-nitroresorcinol !5 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 15 16 Overlap : 246.375857291 Overlap scaled : 2.799725651033E-02 Overlap Similarity Index A-B: 0.330211004309 Overlap Distance Index A-B : 32.1150035303 --------------------------------------- --------------------------------------- -----------Molecules: --> 13-*- 13 4,6-dinitro-1,2,3-trihydroxybenzene !13 --> 6-*- 6 3-methylcatechol !6 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 1 Overlap : 302.698361290 Overlap scaled : 4.169398915839E-02 Overlap Similarity Index A-B: 0.485426757267 Overlap Distance Index A-B : 27.1240907113 --------------------------------------- --------------------------------------- -----------Molecules: --> 13-*- 13 4,6-dinitro-1,2,3-trihydroxybenzene !13 --> 7-*- 7 4-methylcatechol !7 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 1 Overlap : 327.806350115 Overlap scaled : 4.515238982294E-02 Overlap Similarity Index A-B: 0.525854225142 Overlap Distance Index A-B : 26.1770521750 --------------------------------------- --------------------------------------- -----------Molecules: --> 13-*- 13 4,6-dinitro-1,2,3-trihydroxybenzene !13 --> 8-*- 8 catechol !8 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 1 2 Overlap : 224.086338410 Overlap scaled : 3.512325053449E-02 Overlap Similarity Index A-B: 0.375883652135 Overlap Distance Index A-B : 29.2657355523 --------------------------------------- --------------------------------------- -----------Molecules: --> 13-*- 13 4,6-dinitro-1,2,3-trihydroxybenzene !13 --> 9-*- 9 4-nitrocatechol !9 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 5 Overlap : 415.182931777 Overlap scaled : 4.717987861107E-02 Overlap Similarity Index A-B: 0.556164945486 Overlap Distance Index A-B : 26.3514803766 --------------------------------------- --------------------------------------- -----------Molecules: --> 13-*- 13 4,6-dinitro-1,2,3-trihydroxybenzene !13 --> 10-*- 10 2,3-dihydroxybenzaldehyde !10 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 1 6 Overlap : 240.345322019 Overlap scaled : 3.034663156808E-02 Overlap Similarity Index A-B: 0.352588644508 Overlap Distance Index A-B : 30.7097673080 --------------------------------------- --------------------------------------- -----------Molecules: --> 13-*- 13 4,6-dinitro-1,2,3-trihydroxybenzene !13 --> 11-*- 11 (Pyrogallol)1,2,3-trihydroxybenzene !11 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 12 Overlap : 379.308092352 Overlap scaled : 5.224629371246E-02 Overlap Similarity Index A-B: 0.572579143039 Overlap Distance Index A-B : 25.2392540688 --------------------------------------- --------------------------------------- -----------Molecules: --> 13-*- 13 4,6-dinitro-1,2,3-trihydroxybenzene !13 --> 12-*- 12 1,2,4-trihydroxybenzene !12 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 12 Overlap : 377.614652342 Overlap scaled : 5.201303751266E-02 Overlap Similarity Index A-B: 0.570245556611 Overlap Distance Index A-B : 25.2988759888 --------------------------------------- --------------------------------------- -----------Molecules: --> 14-*- 14 hydroquinone !14 --> 1-*- 1 1,3,5-trihydroxybenzene !1 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 1 5 Overlap : 282.141525105 Overlap scaled : 7.370468262939E-02 Overlap Similarity Index A-B: 0.656093353946 Overlap Distance Index A-B : 17.3365973118 --------------------------------------- --------------------------------------- -----------Molecules: --> 14-*- 14 hydroquinone !14 --> 2-*- 2 2-(2-hydroxyethyl)resorcinol !2 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 5 Overlap : 110.378562381 Overlap scaled : 2.320827636268E-02 Overlap Similarity Index A-B: 0.239371711911 Overlap Distance Index A-B : 26.7517552297 --------------------------------------- --------------------------------------- -----------Molecules: --> 14-*- 14 hydroquinone !14 --> 3-*- 3 resorcinol !3 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 5 Overlap : 217.381179049 Overlap scaled : 6.461985108462E-02 Overlap Similarity Index A-B: 0.561597395029 Overlap Distance Index A-B : 18.4225604668 --------------------------------------- --------------------------------------- -----------Molecules: --> 14-*- 14 hydroquinone !14 --> 4-*- 4 5-methylresorcinol !4 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 9 Overlap : 244.577344764 Overlap scaled : 6.389167836045E-02 Overlap Similarity Index A-B: 0.604185626926 Overlap Distance Index A-B : 17.9240227064 --------------------------------------- --------------------------------------- -----------Molecules: --> 14-*- 14 hydroquinone !14 --> 5-*- 5 2-nitroresorcinol !5 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 5 Overlap : 253.933013768 Overlap scaled : 5.472694262242E-02 Overlap Similarity Index A-B: 0.523905008122 Overlap Distance Index A-B : 22.0489857084 --------------------------------------- --------------------------------------- -----------Molecules: --> 14-*- 14 hydroquinone !14 --> 6-*- 6 3-methylcatechol !6 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 2 Overlap : 275.795082476 Overlap scaled : 7.204678225602E-02 Overlap Similarity Index A-B: 0.680832296688 Overlap Distance Index A-B : 16.1065665649 --------------------------------------- --------------------------------------- -----------Molecules: --> 14-*- 14 hydroquinone !14 --> 7-*- 7 4-methylcatechol !7 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 10 Overlap : 272.454555837 Overlap scaled : 7.117412639410E-02 Overlap Similarity Index A-B: 0.672793937067 Overlap Distance Index A-B : 16.3046091979 --------------------------------------- --------------------------------------- -----------Molecules: --> 14-*- 14 hydroquinone !14 --> 8-*- 8 catechol !8 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 13 Overlap : 111.917919158 Overlap scaled : 3.326929820401E-02 Overlap Similarity Index A-B: 0.288986578962 Overlap Distance Index A-B : 23.4673975525 --------------------------------------- --------------------------------------- -----------Molecules: --> 14-*- 14 hydroquinone !14 --> 9-*- 9 4-nitrocatechol !9 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 12 Overlap : 133.011098724 Overlap scaled : 2.866618506989E-02 Overlap Similarity Index A-B: 0.274278642408 Overlap Distance Index A-B : 26.9933846732 --------------------------------------- --------------------------------------- -----------Molecules: --> 14-*- 14 hydroquinone !14 --> 10-*- 10 2,3-dihydroxybenzaldehyde !10 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 7 Overlap : 107.410569049 Overlap scaled : 2.572092170714E-02 Overlap Similarity Index A-B: 0.242560262754 Overlap Distance Index A-B : 26.0549025333 --------------------------------------- --------------------------------------- -----------Molecules: --> 14-*- 14 hydroquinone !14 --> 11-*- 11 (Pyrogallol)1,2,3-trihydroxybenzene !11 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 6 5 Overlap : 261.136016206 Overlap scaled : 6.821735010599E-02 Overlap Similarity Index A-B: 0.606806437742 Overlap Distance Index A-B : 18.5273508686 --------------------------------------- --------------------------------------- -----------Molecules: --> 14-*- 14 hydroquinone !14 --> 12-*- 12 1,2,4-trihydroxybenzene !12 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 5 Overlap : 324.381853131 Overlap scaled : 8.473925107927E-02 Overlap Similarity Index A-B: 0.754066438881 Overlap Distance Index A-B : 14.7104505942 --------------------------------------- --------------------------------------- -----------Molecules: --> 14-*- 14 hydroquinone !14 --> 13-*- 13 4,6-dinitro-1,2,3-trihydroxybenzene !13 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 3 Overlap : 283.320084475 Overlap scaled : 4.440753675163E-02 Overlap Similarity Index A-B: 0.475533084905 Overlap Distance Index A-B : 27.1577354879 --------------------------------------- --------------------------------------- -----------Molecules: --> 15-*- 15 methylhydroquinone !15 --> 1-*- 1 1,3,5-trihydroxybenzene !1 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 3 Overlap : 290.121872464 Overlap scaled : 6.660281737008E-02 Overlap Similarity Index A-B: 0.644868540058 Overlap Distance Index A-B : 17.9212809538 --------------------------------------- --------------------------------------- -----------Molecules: --> 15-*- 15 methylhydroquinone !15 --> 2-*- 2 2-(2-hydroxyethyl)resorcinol !2 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 5 Overlap : 109.188512912 Overlap scaled : 2.017526107012E-02 Overlap Similarity Index A-B: 0.226337822441 Overlap Distance Index A-B : 27.4702003305 --------------------------------------- --------------------------------------- -----------Molecules: --> 15-*- 15 methylhydroquinone !15 --> 3-*- 3 resorcinol !3 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 1 2 Overlap : 283.641342318 Overlap scaled : 7.409648440897E-02 Overlap Similarity Index A-B: 0.700430044105 Overlap Distance Index A-B : 15.6027499822 --------------------------------------- --------------------------------------- -----------Molecules: --> 15-*- 15 methylhydroquinone !15 --> 4-*- 4 5-methylresorcinol !4 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 14 14 Overlap : 254.199358897 Overlap scaled : 5.835614299750E-02 Overlap Similarity Index A-B: 0.600234155005 Overlap Distance Index A-B : 18.4011402120 --------------------------------------- --------------------------------------- -----------Molecules: --> 15-*- 15 methylhydroquinone !15 --> 5-*- 5 2-nitroresorcinol !5 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 5 Overlap : 278.956959559 Overlap scaled : 5.283275749225E-02 Overlap Similarity Index A-B: 0.550126636505 Overlap Distance Index A-B : 21.7413265137 --------------------------------------- --------------------------------------- -----------Molecules: --> 15-*- 15 methylhydroquinone !15 --> 6-*- 6 3-methylcatechol !6 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 2 Overlap : 211.257774340 Overlap scaled : 4.849811164835E-02 Overlap Similarity Index A-B: 0.498492261396 Overlap Distance Index A-B : 20.6172622376 --------------------------------------- --------------------------------------- -----------Molecules: --> 15-*- 15 methylhydroquinone !15 --> 7-*- 7 4-methylcatechol !7 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 1 5 Overlap : 233.414466515 Overlap scaled : 5.358458827254E-02 Overlap Similarity Index A-B: 0.550944502198 Overlap Distance Index A-B : 19.5063030616 --------------------------------------- --------------------------------------- -----------Molecules: --> 15-*- 15 methylhydroquinone !15 --> 8-*- 8 catechol !8 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 12 13 Overlap : 222.269229273 Overlap scaled : 5.806406198360E-02 Overlap Similarity Index A-B: 0.548592012771 Overlap Distance Index A-B : 19.1465800353 --------------------------------------- --------------------------------------- -----------Molecules: --> 15-*- 15 methylhydroquinone !15 --> 9-*- 9 4-nitrocatechol !9 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 9 14 Overlap : 264.318872829 Overlap scaled : 5.006039258134E-02 Overlap Similarity Index A-B: 0.520983985304 Overlap Distance Index A-B : 22.4188016472 --------------------------------------- --------------------------------------- -----------Molecules: --> 15-*- 15 methylhydroquinone !15 --> 10-*- 10 2,3-dihydroxybenzaldehyde !10 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 6 2 Overlap : 269.995650125 Overlap scaled : 5.681726644036E-02 Overlap Similarity Index A-B: 0.582802618024 Overlap Distance Index A-B : 19.7550799356 --------------------------------------- --------------------------------------- -----------Molecules: --> 15-*- 15 methylhydroquinone !15 --> 11-*- 11 (Pyrogallol)1,2,3-trihydroxybenzene !11 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 5 Overlap : 211.136073936 Overlap scaled : 4.847017307979E-02 Overlap Similarity Index A-B: 0.468962305951 Overlap Distance Index A-B : 21.9052051837 --------------------------------------- --------------------------------------- -----------Molecules: --> 15-*- 15 methylhydroquinone !15 --> 12-*- 12 1,2,4-trihydroxybenzene !12 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 6 4 Overlap : 340.105125376 Overlap scaled : 7.807739333693E-02 Overlap Similarity Index A-B: 0.755715496985 Overlap Distance Index A-B : 14.8837566356 --------------------------------------- --------------------------------------- -----------Molecules: --> 15-*- 15 methylhydroquinone !15 --> 13-*- 13 4,6-dinitro-1,2,3-trihydroxybenzene !13 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 9 14 Overlap : 332.634227785 Overlap scaled : 4.581738674728E-02 Overlap Similarity Index A-B: 0.533657234001 Overlap Distance Index A-B : 25.9901848705 --------------------------------------- --------------------------------------- -----------Molecules: --> 15-*- 15 methylhydroquinone !15 --> 14-*- 14 hydroquinone !14 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 5 Overlap : 383.267886384 Overlap scaled : 0.100122227373 Overlap Similarity Index A-B: 0.946537634313 Overlap Distance Index A-B : 6.64236587158 --------------------------------------- --------------------------------------- -----------Molecules: --> 16-*- 16 2,3-dimethylhydroquinone !16 --> 1-*- 1 1,3,5-trihydroxybenzene !1 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 8 11 Overlap : 109.964071049 Overlap scaled : 2.251516606252E-02 Overlap Similarity Index A-B: 0.234493033486 Overlap Distance Index A-B : 26.7978310758 --------------------------------------- --------------------------------------- -----------Molecules: --> 16-*- 16 2,3-dimethylhydroquinone !16 --> 2-*- 2 2-(2-hydroxyethyl)resorcinol !2 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 11 20 Overlap : 106.684587247 Overlap scaled : 1.758150745667E-02 Overlap Similarity Index A-B: 0.212163308840 Overlap Distance Index A-B : 28.2180012411 --------------------------------------- --------------------------------------- -----------Molecules: --> 16-*- 16 2,3-dimethylhydroquinone !16 --> 3-*- 3 resorcinol !3 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 6 Overlap : 251.367273423 Overlap scaled : 5.856646631480E-02 Overlap Similarity Index A-B: 0.595514561408 Overlap Distance Index A-B : 18.5642069939 --------------------------------------- --------------------------------------- -----------Molecules: --> 16-*- 16 2,3-dimethylhydroquinone !16 --> 4-*- 4 5-methylresorcinol !4 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 8 9 Overlap : 110.147510367 Overlap scaled : 2.255272530029E-02 Overlap Similarity Index A-B: 0.249522294471 Overlap Distance Index A-B : 25.7554168027 --------------------------------------- --------------------------------------- -----------Molecules: --> 16-*- 16 2,3-dimethylhydroquinone !16 --> 5-*- 5 2-nitroresorcinol !5 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 8 1 Overlap : 206.005211509 Overlap scaled : 3.479817761984E-02 Overlap Similarity Index A-B: 0.389755359967 Overlap Distance Index A-B : 25.5973555508 --------------------------------------- --------------------------------------- -----------Molecules: --> 16-*- 16 2,3-dimethylhydroquinone !16 --> 6-*- 6 3-methylcatechol !6 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 1 5 Overlap : 224.476085942 Overlap scaled : 4.596152455815E-02 Overlap Similarity Index A-B: 0.508164378378 Overlap Distance Index A-B : 20.8631425122 --------------------------------------- --------------------------------------- -----------Molecules: --> 16-*- 16 2,3-dimethylhydroquinone !16 --> 7-*- 7 4-methylcatechol !7 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 17 14 Overlap : 210.485028621 Overlap scaled : 4.309685270702E-02 Overlap Similarity Index A-B: 0.476639150404 Overlap Distance Index A-B : 21.5172156990 --------------------------------------- --------------------------------------- -----------Molecules: --> 16-*- 16 2,3-dimethylhydroquinone !16 --> 8-*- 8 catechol !8 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 1 1 Overlap : 264.622719027 Overlap scaled : 6.165487395786E-02 Overlap Similarity Index A-B: 0.626593204619 Overlap Distance Index A-B : 17.8471393802 --------------------------------------- --------------------------------------- -----------Molecules: --> 16-*- 16 2,3-dimethylhydroquinone !16 --> 9-*- 9 4-nitrocatechol !9 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 1 1 Overlap : 271.225323510 Overlap scaled : 4.581508843081E-02 Overlap Similarity Index A-B: 0.512878923516 Overlap Distance Index A-B : 22.9221640001 --------------------------------------- --------------------------------------- -----------Molecules: --> 16-*- 16 2,3-dimethylhydroquinone !16 --> 10-*- 10 2,3-dihydroxybenzaldehyde !10 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 8 7 Overlap : 296.734384254 Overlap scaled : 5.569339043812E-02 Overlap Similarity Index A-B: 0.614498767975 Overlap Distance Index A-B : 19.3241183892 --------------------------------------- --------------------------------------- -----------Molecules: --> 16-*- 16 2,3-dimethylhydroquinone !16 --> 11-*- 11 (Pyrogallol)1,2,3-trihydroxybenzene !11 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 8 14 Overlap : 204.829836439 Overlap scaled : 4.193895094977E-02 Overlap Similarity Index A-B: 0.436472744758 Overlap Distance Index A-B : 23.0018765680 --------------------------------------- --------------------------------------- -----------Molecules: --> 16-*- 16 2,3-dimethylhydroquinone !16 --> 12-*- 12 1,2,4-trihydroxybenzene !12 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 4 Overlap : 269.004777423 Overlap scaled : 5.507878325614E-02 Overlap Similarity Index A-B: 0.573447364074 Overlap Distance Index A-B : 20.0090665452 --------------------------------------- --------------------------------------- -----------Molecules: --> 16-*- 16 2,3-dimethylhydroquinone !16 --> 13-*- 13 4,6-dinitro-1,2,3-trihydroxybenzene !13 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 6 Overlap : 276.150085273 Overlap scaled : 3.392507190089E-02 Overlap Similarity Index A-B: 0.425039276178 Overlap Distance Index A-B : 28.7244465767 --------------------------------------- --------------------------------------- -----------Molecules: --> 16-*- 16 2,3-dimethylhydroquinone !16 --> 14-*- 14 hydroquinone !14 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 11 10 Overlap : 112.161643697 Overlap scaled : 2.613272220337E-02 Overlap Similarity Index A-B: 0.265746917759 Overlap Distance Index A-B : 24.9593538831 --------------------------------------- --------------------------------------- -----------Molecules: --> 16-*- 16 2,3-dimethylhydroquinone !16 --> 15-*- 15 methylhydroquinone !15 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 4 Overlap : 288.506883056 Overlap scaled : 5.907184337761E-02 Overlap Similarity Index A-B: 0.653389482563 Overlap Distance Index A-B : 17.5172562616 --------------------------------------- --------------------------------------- -----------Molecules: --> 17-*- 17 trimethylhydroquinone !17 --> 1-*- 1 1,3,5-trihydroxybenzene !1 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 2 Overlap : 247.661971447 Overlap scaled : 4.576163552227E-02 Overlap Similarity Index A-B: 0.508610503552 Overlap Distance Index A-B : 21.8798442892 --------------------------------------- --------------------------------------- -----------Molecules: --> 17-*- 17 trimethylhydroquinone !17 --> 2-*- 2 2-(2-hydroxyethyl)resorcinol !2 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 5 Overlap : 116.001983401 Overlap scaled : 1.725193090436E-02 Overlap Similarity Index A-B: 0.222167678730 Overlap Distance Index A-B : 28.5240326441 --------------------------------------- --------------------------------------- -----------Molecules: --> 17-*- 17 trimethylhydroquinone !17 --> 3-*- 3 resorcinol !3 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 5 Overlap : 230.005187687 Overlap scaled : 4.836105712515E-02 Overlap Similarity Index A-B: 0.524768969215 Overlap Distance Index A-B : 20.5755580563 --------------------------------------- --------------------------------------- -----------Molecules: --> 17-*- 17 trimethylhydroquinone !17 --> 4-*- 4 5-methylresorcinol !4 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 12 14 Overlap : 302.040375183 Overlap scaled : 5.580938196281E-02 Overlap Similarity Index A-B: 0.658941006551 Overlap Distance Index A-B : 17.7638791257 --------------------------------------- --------------------------------------- -----------Molecules: --> 17-*- 17 trimethylhydroquinone !17 --> 5-*- 5 2-nitroresorcinol !5 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 5 Overlap : 308.297607601 Overlap scaled : 4.699658652451E-02 Overlap Similarity Index A-B: 0.561734254179 Overlap Distance Index A-B : 22.0599060641 --------------------------------------- --------------------------------------- -----------Molecules: --> 17-*- 17 trimethylhydroquinone !17 --> 6-*- 6 3-methylcatechol !6 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 2 Overlap : 237.735622851 Overlap scaled : 4.392749867911E-02 Overlap Similarity Index A-B: 0.518292904551 Overlap Distance Index A-B : 21.0891270140 --------------------------------------- --------------------------------------- -----------Molecules: --> 17-*- 17 trimethylhydroquinone !17 --> 7-*- 7 4-methylcatechol !7 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 2 5 Overlap : 254.319686001 Overlap scaled : 4.699181189963E-02 Overlap Similarity Index A-B: 0.554619766482 Overlap Distance Index A-B : 20.2810476362 --------------------------------------- --------------------------------------- -----------Molecules: --> 17-*- 17 trimethylhydroquinone !17 --> 8-*- 8 catechol !8 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 1 2 Overlap : 255.095393781 Overlap scaled : 5.363654200617E-02 Overlap Similarity Index A-B: 0.581712014624 Overlap Distance Index A-B : 19.3280798605 --------------------------------------- --------------------------------------- -----------Molecules: --> 17-*- 17 trimethylhydroquinone !17 --> 9-*- 9 4-nitrocatechol !9 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 7 14 Overlap : 260.636803720 Overlap scaled : 3.973122007930E-02 Overlap Similarity Index A-B: 0.474643154305 Overlap Distance Index A-B : 24.1371555610 --------------------------------------- --------------------------------------- -----------Molecules: --> 17-*- 17 trimethylhydroquinone !17 --> 10-*- 10 2,3-dihydroxybenzaldehyde !10 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 2 2 Overlap : 289.446137114 Overlap scaled : 4.902542972803E-02 Overlap Similarity Index A-B: 0.577255082055 Overlap Distance Index A-B : 20.5912040042 --------------------------------------- --------------------------------------- -----------Molecules: --> 17-*- 17 trimethylhydroquinone !17 --> 11-*- 11 (Pyrogallol)1,2,3-trihydroxybenzene !11 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 5 Overlap : 216.221909601 Overlap scaled : 3.995231145616E-02 Overlap Similarity Index A-B: 0.443721501578 Overlap Distance Index A-B : 23.2873746024 --------------------------------------- --------------------------------------- -----------Molecules: --> 17-*- 17 trimethylhydroquinone !17 --> 12-*- 12 1,2,4-trihydroxybenzene !12 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 3 Overlap : 346.945053014 Overlap scaled : 6.410662472541E-02 Overlap Similarity Index A-B: 0.712264224423 Overlap Distance Index A-B : 16.7475917485 --------------------------------------- --------------------------------------- -----------Molecules: --> 17-*- 17 trimethylhydroquinone !17 --> 13-*- 13 4,6-dinitro-1,2,3-trihydroxybenzene !13 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 12 Overlap : 341.968598089 Overlap scaled : 3.791226142891E-02 Overlap Similarity Index A-B: 0.506893793401 Overlap Distance Index A-B : 27.0084513080 --------------------------------------- --------------------------------------- -----------Molecules: --> 17-*- 17 trimethylhydroquinone !17 --> 14-*- 14 hydroquinone !14 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 3 Overlap : 358.822367768 Overlap scaled : 7.544625058204E-02 Overlap Similarity Index A-B: 0.818747982022 Overlap Distance Index A-B : 12.8704131505 --------------------------------------- --------------------------------------- -----------Molecules: --> 17-*- 17 trimethylhydroquinone !17 --> 15-*- 15 methylhydroquinone !15 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 9 Overlap : 331.759561334 Overlap scaled : 6.130073195385E-02 Overlap Similarity Index A-B: 0.723579530897 Overlap Distance Index A-B : 16.0108883865 --------------------------------------- --------------------------------------- -----------Molecules: --> 17-*- 17 trimethylhydroquinone !17 --> 16-*- 16 2,3-dimethylhydroquinone !16 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 6 6 Overlap : 387.071120023 Overlap scaled : 6.378891233081E-02 Overlap Similarity Index A-B: 0.809919788861 Overlap Distance Index A-B : 13.5041203364 --------------------------------------- --------------------------------------- -----------Molecules: --> 18-*- 18 tetramethylhydroquinone !18 --> 1-*- 1 1,3,5-trihydroxybenzene !1 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 9 14 Overlap : 240.582357635 Overlap scaled : 4.050208040997E-02 Overlap Similarity Index A-B: 0.476826939727 Overlap Distance Index A-B : 23.0093441898 --------------------------------------- --------------------------------------- -----------Molecules: --> 18-*- 18 tetramethylhydroquinone !18 --> 2-*- 2 2-(2-hydroxyethyl)resorcinol !2 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 5 Overlap : 114.821524937 Overlap scaled : 1.555847221374E-02 Overlap Similarity Index A-B: 0.212231469691 Overlap Distance Index A-B : 29.1980215342 --------------------------------------- --------------------------------------- -----------Molecules: --> 18-*- 18 tetramethylhydroquinone !18 --> 3-*- 3 resorcinol !3 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 3 Overlap : 293.086434328 Overlap scaled : 5.614682649964E-02 Overlap Similarity Index A-B: 0.645352862481 Overlap Distance Index A-B : 18.2683935350 --------------------------------------- --------------------------------------- -----------Molecules: --> 18-*- 18 tetramethylhydroquinone !18 --> 4-*- 4 5-methylresorcinol !4 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 9 11 Overlap : 326.367489743 Overlap scaled : 5.494402184226E-02 Overlap Similarity Index A-B: 0.687162472369 Overlap Distance Index A-B : 17.4196520853 --------------------------------------- --------------------------------------- -----------Molecules: --> 18-*- 18 tetramethylhydroquinone !18 --> 5-*- 5 2-nitroresorcinol !5 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 5 Overlap : 289.977974458 Overlap scaled : 4.027471867473E-02 Overlap Similarity Index A-B: 0.509913809329 Overlap Distance Index A-B : 23.6605542653 --------------------------------------- --------------------------------------- -----------Molecules: --> 18-*- 18 tetramethylhydroquinone !18 --> 6-*- 6 3-methylcatechol !6 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 6 2 Overlap : 317.884465681 Overlap scaled : 5.351590331330E-02 Overlap Similarity Index A-B: 0.668838578312 Overlap Distance Index A-B : 17.9163807409 --------------------------------------- --------------------------------------- -----------Molecules: --> 18-*- 18 tetramethylhydroquinone !18 --> 7-*- 7 4-methylcatechol !7 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 6 2 Overlap : 299.564328529 Overlap scaled : 5.043170513951E-02 Overlap Similarity Index A-B: 0.630487485581 Overlap Distance Index A-B : 18.9043570234 --------------------------------------- --------------------------------------- -----------Molecules: --> 18-*- 18 tetramethylhydroquinone !18 --> 8-*- 8 catechol !8 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 7 13 Overlap : 115.111011139 Overlap scaled : 2.205191784279E-02 Overlap Similarity Index A-B: 0.253333891501 Overlap Distance Index A-B : 26.2694983332 --------------------------------------- --------------------------------------- -----------Molecules: --> 18-*- 18 tetramethylhydroquinone !18 --> 9-*- 9 4-nitrocatechol !9 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 9 15 Overlap : 147.388594521 Overlap scaled : 2.047063812792E-02 Overlap Similarity Index A-B: 0.259039722684 Overlap Distance Index A-B : 29.0799209640 --------------------------------------- --------------------------------------- -----------Molecules: --> 18-*- 18 tetramethylhydroquinone !18 --> 10-*- 10 2,3-dihydroxybenzaldehyde !10 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 9 7 Overlap : 112.724508693 Overlap scaled : 1.739575751431E-02 Overlap Similarity Index A-B: 0.216964843185 Overlap Distance Index A-B : 28.5304056313 --------------------------------------- --------------------------------------- -----------Molecules: --> 18-*- 18 tetramethylhydroquinone !18 --> 11-*- 11 (Pyrogallol)1,2,3-trihydroxybenzene !11 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 9 12 Overlap : 299.764580331 Overlap scaled : 5.046541756414E-02 Overlap Similarity Index A-B: 0.593693234692 Overlap Distance Index A-B : 20.2918599619 --------------------------------------- --------------------------------------- -----------Molecules: --> 18-*- 18 tetramethylhydroquinone !18 --> 12-*- 12 1,2,4-trihydroxybenzene !12 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 6 5 Overlap : 277.215639158 Overlap scaled : 4.666929952153E-02 Overlap Similarity Index A-B: 0.549248864510 Overlap Distance Index A-B : 21.3654806495 --------------------------------------- --------------------------------------- -----------Molecules: --> 18-*- 18 tetramethylhydroquinone !18 --> 13-*- 13 4,6-dinitro-1,2,3-trihydroxybenzene !13 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 2 3 Overlap : 326.452382445 Overlap scaled : 3.297498812572E-02 Overlap Similarity Index A-B: 0.467005071222 Overlap Distance Index A-B : 28.2317548099 --------------------------------------- --------------------------------------- -----------Molecules: --> 18-*- 18 tetramethylhydroquinone !18 --> 14-*- 14 hydroquinone !14 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 7 10 Overlap : 367.589436443 Overlap scaled : 7.041943226875E-02 Overlap Similarity Index A-B: 0.809477470500 Overlap Distance Index A-B : 13.5888374638 --------------------------------------- --------------------------------------- -----------Molecules: --> 18-*- 18 tetramethylhydroquinone !18 --> 15-*- 15 methylhydroquinone !15 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 5 Overlap : 257.095047096 Overlap scaled : 4.328199446055E-02 Overlap Similarity Index A-B: 0.541162311692 Overlap Distance Index A-B : 21.0290437657 --------------------------------------- --------------------------------------- -----------Molecules: --> 18-*- 18 tetramethylhydroquinone !18 --> 16-*- 16 2,3-dimethylhydroquinone !16 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 9 13 Overlap : 140.399333124 Overlap scaled : 2.108098094950E-02 Overlap Similarity Index A-B: 0.283522346566 Overlap Distance Index A-B : 26.6879738115 --------------------------------------- --------------------------------------- -----------Molecules: --> 18-*- 18 tetramethylhydroquinone !18 --> 17-*- 17 trimethylhydroquinone !17 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 6 3 Overlap : 333.659779143 Overlap scaled : 4.521135218746E-02 Overlap Similarity Index A-B: 0.648892824369 Overlap Distance Index A-B : 19.0191138245 --------------------------------------- --------------------------------------- -----------Molecules: --> 19-*- 19 tetrafluorohydroquinone !19 --> 1-*- 1 1,3,5-trihydroxybenzene !1 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 7 11 Overlap : 458.327052702 Overlap scaled : 7.715943648176E-02 Overlap Similarity Index A-B: 0.707882038564 Overlap Distance Index A-B : 20.9407851069 --------------------------------------- --------------------------------------- -----------Molecules: --> 19-*- 19 tetrafluorohydroquinone !19 --> 2-*- 2 2-(2-hydroxyethyl)resorcinol !2 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 11 20 Overlap : 127.979632626 Overlap scaled : 1.734141363502E-02 Overlap Similarity Index A-B: 0.184338361697 Overlap Distance Index A-B : 34.2167239389 --------------------------------------- --------------------------------------- -----------Molecules: --> 19-*- 19 tetrafluorohydroquinone !19 --> 3-*- 3 resorcinol !3 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 2 5 Overlap : 286.553989780 Overlap scaled : 5.489540034095E-02 Overlap Similarity Index A-B: 0.491695661313 Overlap Distance Index A-B : 26.2940115316 --------------------------------------- --------------------------------------- -----------Molecules: --> 19-*- 19 tetrafluorohydroquinone !19 --> 4-*- 4 5-methylresorcinol !4 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 11 9 Overlap : 356.690870316 Overlap scaled : 6.004896806659E-02 Overlap Similarity Index A-B: 0.585238554622 Overlap Distance Index A-B : 24.2357890032 --------------------------------------- --------------------------------------- -----------Molecules: --> 19-*- 19 tetrafluorohydroquinone !19 --> 5-*- 5 2-nitroresorcinol !5 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 5 Overlap : 328.175211895 Overlap scaled : 4.557989054095E-02 Overlap Similarity Index A-B: 0.449703149388 Overlap Distance Index A-B : 28.7750465551 --------------------------------------- --------------------------------------- -----------Molecules: --> 19-*- 19 tetrafluorohydroquinone !19 --> 6-*- 6 3-methylcatechol !6 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 1 Overlap : 298.071281138 Overlap scaled : 5.018035035986E-02 Overlap Similarity Index A-B: 0.488720478080 Overlap Distance Index A-B : 26.5555835734 --------------------------------------- --------------------------------------- -----------Molecules: --> 19-*- 19 tetrafluorohydroquinone !19 --> 7-*- 7 4-methylcatechol !7 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 12 10 Overlap : 308.910091018 Overlap scaled : 5.200506582793E-02 Overlap Similarity Index A-B: 0.506648617616 Overlap Distance Index A-B : 26.1392260878 --------------------------------------- --------------------------------------- -----------Molecules: --> 19-*- 19 tetrafluorohydroquinone !19 --> 8-*- 8 catechol !8 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 11 11 Overlap : 138.514960014 Overlap scaled : 2.653543295294E-02 Overlap Similarity Index A-B: 0.237553536227 Overlap Distance Index A-B : 31.4301542457 --------------------------------------- --------------------------------------- -----------Molecules: --> 19-*- 19 tetrafluorohydroquinone !19 --> 9-*- 9 4-nitrocatechol !9 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 12 12 Overlap : 165.891557946 Overlap scaled : 2.304049415915E-02 Overlap Similarity Index A-B: 0.227203578777 Overlap Distance Index A-B : 33.9589727083 --------------------------------------- --------------------------------------- -----------Molecules: --> 19-*- 19 tetrafluorohydroquinone !19 --> 10-*- 10 2,3-dihydroxybenzaldehyde !10 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 11 7 Overlap : 130.811180165 Overlap scaled : 2.018691051932E-02 Overlap Similarity Index A-B: 0.196202380634 Overlap Distance Index A-B : 33.5020395428 --------------------------------------- --------------------------------------- -----------Molecules: --> 19-*- 19 tetrafluorohydroquinone !19 --> 11-*- 11 (Pyrogallol)1,2,3-trihydroxybenzene !11 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 14 12 Overlap : 415.894033221 Overlap scaled : 7.001583050851E-02 Overlap Similarity Index A-B: 0.641878555681 Overlap Distance Index A-B : 22.8927199326 --------------------------------------- --------------------------------------- -----------Molecules: --> 19-*- 19 tetrafluorohydroquinone !19 --> 12-*- 12 1,2,4-trihydroxybenzene !12 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 1 5 Overlap : 380.098721843 Overlap scaled : 6.398968381197E-02 Overlap Similarity Index A-B: 0.586862342264 Overlap Distance Index A-B : 24.3986382611 --------------------------------------- --------------------------------------- -----------Molecules: --> 19-*- 19 tetrafluorohydroquinone !19 --> 13-*- 13 4,6-dinitro-1,2,3-trihydroxybenzene !13 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 13 10 Overlap : 419.271949993 Overlap scaled : 4.235070201950E-02 Overlap Similarity Index A-B: 0.467397037744 Overlap Distance Index A-B : 30.9187450510 --------------------------------------- --------------------------------------- -----------Molecules: --> 19-*- 19 tetrafluorohydroquinone !19 --> 14-*- 14 hydroquinone !14 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 7 10 Overlap : 352.228261273 Overlap scaled : 6.747667840475E-02 Overlap Similarity Index A-B: 0.604441584709 Overlap Distance Index A-B : 23.6633641931 --------------------------------------- --------------------------------------- -----------Molecules: --> 19-*- 19 tetrafluorohydroquinone !19 --> 15-*- 15 methylhydroquinone !15 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 6 3 Overlap : 315.361374308 Overlap scaled : 5.309114045586E-02 Overlap Similarity Index A-B: 0.517286001376 Overlap Distance Index A-B : 25.8894568938 --------------------------------------- --------------------------------------- -----------Molecules: --> 19-*- 19 tetrafluorohydroquinone !19 --> 16-*- 16 2,3-dimethylhydroquinone !16 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 13 11 Overlap : 130.307199085 Overlap scaled : 1.956564550820E-02 Overlap Similarity Index A-B: 0.205059102689 Overlap Distance Index A-B : 32.8178025654 --------------------------------------- --------------------------------------- -----------Molecules: --> 19-*- 19 tetrafluorohydroquinone !19 --> 17-*- 17 trimethylhydroquinone !17 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 3 Overlap : 357.291930858 Overlap scaled : 4.841354076666E-02 Overlap Similarity Index A-B: 0.541477873740 Overlap Distance Index A-B : 25.6717420176 --------------------------------------- --------------------------------------- -----------Molecules: --> 19-*- 19 tetrafluorohydroquinone !19 --> 18-*- 18 tetramethylhydroquinone !18 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 7 9 Overlap : 358.546030339 Overlap scaled : 4.426494201714E-02 Overlap Similarity Index A-B: 0.524412981534 Overlap Distance Index A-B : 26.3262843098 --------------------------------------- --------------------------------------- -----------Molecules: --> 20-*- 20 2,5-hydroxybenzaldehyde !20 --> 1-*- 1 1,3,5-trihydroxybenzene !1 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 6 4 Overlap : 193.856908349 Overlap scaled : 4.079480394557E-02 Overlap Similarity Index A-B: 0.394173491142 Overlap Distance Index A-B : 24.4194360570 --------------------------------------- --------------------------------------- -----------Molecules: --> 20-*- 20 2,5-hydroxybenzaldehyde !20 --> 2-*- 2 2-(2-hydroxyethyl)resorcinol !2 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 15 20 Overlap : 110.463159568 Overlap scaled : 1.870988475060E-02 Overlap Similarity Index A-B: 0.209465766951 Overlap Distance Index A-B : 28.8906426196 --------------------------------------- --------------------------------------- -----------Molecules: --> 20-*- 20 2,5-hydroxybenzaldehyde !20 --> 3-*- 3 resorcinol !3 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 6 Overlap : 199.122611558 Overlap scaled : 4.768261771017E-02 Overlap Similarity Index A-B: 0.449812196376 Overlap Distance Index A-B : 22.2506154210 --------------------------------------- --------------------------------------- -----------Molecules: --> 20-*- 20 2,5-hydroxybenzaldehyde !20 --> 4-*- 4 5-methylresorcinol !4 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 6 1 Overlap : 198.955070128 Overlap scaled : 4.186764943763E-02 Overlap Similarity Index A-B: 0.429750783862 Overlap Distance Index A-B : 23.0585592943 --------------------------------------- --------------------------------------- -----------Molecules: --> 20-*- 20 2,5-hydroxybenzaldehyde !20 --> 5-*- 5 2-nitroresorcinol !5 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 1 2 Overlap : 252.836822772 Overlap scaled : 4.389528173132E-02 Overlap Similarity Index A-B: 0.456122199390 Overlap Distance Index A-B : 24.6481676852 --------------------------------------- --------------------------------------- -----------Molecules: --> 20-*- 20 2,5-hydroxybenzaldehyde !20 --> 6-*- 6 3-methylcatechol !6 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 7 12 Overlap : 265.281234286 Overlap scaled : 5.582517556521E-02 Overlap Similarity Index A-B: 0.572621516955 Overlap Distance Index A-B : 19.9907778830 --------------------------------------- --------------------------------------- -----------Molecules: --> 20-*- 20 2,5-hydroxybenzaldehyde !20 --> 7-*- 7 4-methylcatechol !7 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 6 Overlap : 249.860217686 Overlap scaled : 5.258001213929E-02 Overlap Similarity Index A-B: 0.539501444049 Overlap Distance Index A-B : 20.7415277855 --------------------------------------- --------------------------------------- -----------Molecules: --> 20-*- 20 2,5-hydroxybenzaldehyde !20 --> 8-*- 8 catechol !8 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 5 Overlap : 266.286658774 Overlap scaled : 6.376596235012E-02 Overlap Similarity Index A-B: 0.601222130160 Overlap Distance Index A-B : 19.0042965178 --------------------------------------- --------------------------------------- -----------Molecules: --> 20-*- 20 2,5-hydroxybenzaldehyde !20 --> 9-*- 9 4-nitrocatechol !9 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 2 1 Overlap : 294.456930345 Overlap scaled : 5.112099485151E-02 Overlap Similarity Index A-B: 0.530925265948 Overlap Distance Index A-B : 22.9114200859 --------------------------------------- --------------------------------------- -----------Molecules: --> 20-*- 20 2,5-hydroxybenzaldehyde !20 --> 10-*- 10 2,3-dihydroxybenzaldehyde !10 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 1 4 Overlap : 230.905042316 Overlap scaled : 4.454186773071E-02 Overlap Similarity Index A-B: 0.455946153715 Overlap Distance Index A-B : 23.4744758614 --------------------------------------- --------------------------------------- -----------Molecules: --> 20-*- 20 2,5-hydroxybenzaldehyde !20 --> 11-*- 11 (Pyrogallol)1,2,3-trihydroxybenzene !11 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 1 6 Overlap : 271.194370111 Overlap scaled : 5.706952232967E-02 Overlap Similarity Index A-B: 0.551025347907 Overlap Distance Index A-B : 21.0315962275 --------------------------------------- --------------------------------------- -----------Molecules: --> 20-*- 20 2,5-hydroxybenzaldehyde !20 --> 12-*- 12 1,2,4-trihydroxybenzene !12 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 6 3 Overlap : 259.669807843 Overlap scaled : 5.464431983223E-02 Overlap Similarity Index A-B: 0.527815355555 Overlap Distance Index A-B : 21.5639389894 --------------------------------------- --------------------------------------- -----------Molecules: --> 20-*- 20 2,5-hydroxybenzaldehyde !20 --> 13-*- 13 4,6-dinitro-1,2,3-trihydroxybenzene !13 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 2 Overlap : 252.336403371 Overlap scaled : 3.186065699134E-02 Overlap Similarity Index A-B: 0.370331613003 Overlap Distance Index A-B : 30.3099319781 --------------------------------------- --------------------------------------- -----------Molecules: --> 20-*- 20 2,5-hydroxybenzaldehyde !20 --> 14-*- 14 hydroquinone !14 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 6 4 Overlap : 150.740138186 Overlap scaled : 3.609677638552E-02 Overlap Similarity Index A-B: 0.340549131081 Overlap Distance Index A-B : 24.3265932439 --------------------------------------- --------------------------------------- -----------Molecules: --> 20-*- 20 2,5-hydroxybenzaldehyde !20 --> 15-*- 15 methylhydroquinone !15 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 1 Overlap : 202.706265932 Overlap scaled : 4.265704249404E-02 Overlap Similarity Index A-B: 0.437733848739 Overlap Distance Index A-B : 22.9003555159 --------------------------------------- --------------------------------------- -----------Molecules: --> 20-*- 20 2,5-hydroxybenzaldehyde !20 --> 16-*- 16 2,3-dimethylhydroquinone !16 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 2 2 Overlap : 387.449638156 Overlap scaled : 7.271952668094E-02 Overlap Similarity Index A-B: 0.802687746508 Overlap Distance Index A-B : 13.8410756381 --------------------------------------- --------------------------------------- -----------Molecules: --> 20-*- 20 2,5-hydroxybenzaldehyde !20 --> 17-*- 17 trimethylhydroquinone !17 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 4 Overlap : 303.512476532 Overlap scaled : 5.140793979206E-02 Overlap Similarity Index A-B: 0.605556661472 Overlap Distance Index A-B : 19.8859079404 --------------------------------------- --------------------------------------- -----------Molecules: --> 20-*- 20 2,5-hydroxybenzaldehyde !20 --> 18-*- 18 tetramethylhydroquinone !18 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 6 5 Overlap : 241.100722905 Overlap scaled : 3.720690168283E-02 Overlap Similarity Index A-B: 0.464245559819 Overlap Distance Index A-B : 23.5969478571 --------------------------------------- --------------------------------------- -----------Molecules: --> 20-*- 20 2,5-hydroxybenzaldehyde !20 --> 19-*- 19 tetrafluorohydroquinone !19 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 6 6 Overlap : 253.048402494 Overlap scaled : 3.905067939721E-02 Overlap Similarity Index A-B: 0.379700561335 Overlap Distance Index A-B : 29.6225680854 --------------------------------------- --------------------------------------- -----------Molecules: --> 21-*- 21 methoxyhydroquinone !21 --> 1-*- 1 1,3,5-trihydroxybenzene !1 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 4 Overlap : 175.754446118 Overlap scaled : 3.598575882847E-02 Overlap Similarity Index A-B: 0.355366435032 Overlap Distance Index A-B : 25.2631108335 --------------------------------------- --------------------------------------- -----------Molecules: --> 21-*- 21 methoxyhydroquinone !21 --> 2-*- 2 2-(2-hydroxyethyl)resorcinol !2 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 14 20 Overlap : 108.301882798 Overlap scaled : 1.784803605760E-02 Overlap Similarity Index A-B: 0.204218722685 Overlap Distance Index A-B : 29.0637707756 --------------------------------------- --------------------------------------- -----------Molecules: --> 21-*- 21 methoxyhydroquinone !21 --> 3-*- 3 resorcinol !3 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 1 1 Overlap : 230.856209235 Overlap scaled : 5.378756039954E-02 Overlap Similarity Index A-B: 0.518580474837 Overlap Distance Index A-B : 20.9125244398 --------------------------------------- --------------------------------------- -----------Molecules: --> 21-*- 21 methoxyhydroquinone !21 --> 4-*- 4 5-methylresorcinol !4 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 2 Overlap : 174.707548785 Overlap scaled : 3.577140638506E-02 Overlap Similarity Index A-B: 0.375264334426 Overlap Distance Index A-B : 24.2054371289 --------------------------------------- --------------------------------------- -----------Molecules: --> 21-*- 21 methoxyhydroquinone !21 --> 5-*- 5 2-nitroresorcinol !5 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 4 Overlap : 279.582009863 Overlap scaled : 4.722669085528E-02 Overlap Similarity Index A-B: 0.501549800335 Overlap Distance Index A-B : 23.6590951484 --------------------------------------- --------------------------------------- -----------Molecules: --> 21-*- 21 methoxyhydroquinone !21 --> 6-*- 6 3-methylcatechol !6 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 3 3 Overlap : 229.613489387 Overlap scaled : 4.701340896544E-02 Overlap Similarity Index A-B: 0.492858766484 Overlap Distance Index A-B : 21.8329493507 --------------------------------------- --------------------------------------- -----------Molecules: --> 21-*- 21 methoxyhydroquinone !21 --> 7-*- 7 4-methylcatechol !7 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 1 Overlap : 261.124827844 Overlap scaled : 5.346536196638E-02 Overlap Similarity Index A-B: 0.560670386036 Overlap Distance Index A-B : 20.3320619158 --------------------------------------- --------------------------------------- -----------Molecules: --> 21-*- 21 methoxyhydroquinone !21 --> 8-*- 8 catechol !8 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 3 Overlap : 271.008284416 Overlap scaled : 6.314265713336E-02 Overlap Similarity Index A-B: 0.608460051989 Overlap Distance Index A-B : 18.9058462396 --------------------------------------- --------------------------------------- -----------Molecules: --> 21-*- 21 methoxyhydroquinone !21 --> 9-*- 9 4-nitrocatechol !9 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 6 3 Overlap : 233.551442361 Overlap scaled : 3.945125715564E-02 Overlap Similarity Index A-B: 0.418753182153 Overlap Distance Index A-B : 25.5432013167 --------------------------------------- --------------------------------------- -----------Molecules: --> 21-*- 21 methoxyhydroquinone !21 --> 10-*- 10 2,3-dihydroxybenzaldehyde !10 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 7 7 Overlap : 258.848097843 Overlap scaled : 4.858260094642E-02 Overlap Similarity Index A-B: 0.508263673686 Overlap Distance Index A-B : 22.3802567702 --------------------------------------- --------------------------------------- -----------Molecules: --> 21-*- 21 methoxyhydroquinone !21 --> 11-*- 11 (Pyrogallol)1,2,3-trihydroxybenzene !11 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 14 Overlap : 255.212995453 Overlap scaled : 5.225491307389E-02 Overlap Similarity Index A-B: 0.515653116031 Overlap Distance Index A-B : 21.9089428402 --------------------------------------- --------------------------------------- -----------Molecules: --> 21-*- 21 methoxyhydroquinone !21 --> 12-*- 12 1,2,4-trihydroxybenzene !12 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 1 1 Overlap : 188.396851801 Overlap scaled : 3.857429398062E-02 Overlap Similarity Index A-B: 0.380801069271 Overlap Distance Index A-B : 24.7640942497 --------------------------------------- --------------------------------------- -----------Molecules: --> 21-*- 21 methoxyhydroquinone !21 --> 13-*- 13 4,6-dinitro-1,2,3-trihydroxybenzene !13 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 14 8 Overlap : 261.761414874 Overlap scaled : 3.215742197474E-02 Overlap Similarity Index A-B: 0.382015039759 Overlap Distance Index A-B : 30.0924066949 --------------------------------------- --------------------------------------- -----------Molecules: --> 21-*- 21 methoxyhydroquinone !21 --> 14-*- 14 hydroquinone !14 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 4 Overlap : 230.564776713 Overlap scaled : 5.371965906646E-02 Overlap Similarity Index A-B: 0.517973787103 Overlap Distance Index A-B : 20.9247425070 --------------------------------------- --------------------------------------- -----------Molecules: --> 21-*- 21 methoxyhydroquinone !21 --> 15-*- 15 methylhydroquinone !15 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 14 9 Overlap : 193.073974939 Overlap scaled : 3.953193590066E-02 Overlap Similarity Index A-B: 0.414601289560 Overlap Distance Index A-B : 23.4393227702 --------------------------------------- --------------------------------------- -----------Molecules: --> 21-*- 21 methoxyhydroquinone !21 --> 16-*- 16 2,3-dimethylhydroquinone !16 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 7 11 Overlap : 286.409471132 Overlap scaled : 5.230267916947E-02 Overlap Similarity Index A-B: 0.590041695945 Overlap Distance Index A-B : 19.9841611296 --------------------------------------- --------------------------------------- -----------Molecules: --> 21-*- 21 methoxyhydroquinone !21 --> 17-*- 17 trimethylhydroquinone !17 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 14 10 Overlap : 258.267138273 Overlap scaled : 4.256215198968E-02 Overlap Similarity Index A-B: 0.512402619898 Overlap Distance Index A-B : 22.1732045117 --------------------------------------- --------------------------------------- -----------Molecules: --> 21-*- 21 methoxyhydroquinone !21 --> 18-*- 18 tetramethylhydroquinone !18 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 14 11 Overlap : 183.607433766 Overlap scaled : 2.756868374866E-02 Overlap Similarity Index A-B: 0.351563241756 Overlap Distance Index A-B : 26.0290897581 --------------------------------------- --------------------------------------- -----------Molecules: --> 21-*- 21 methoxyhydroquinone !21 --> 19-*- 19 tetrafluorohydroquinone !19 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 4 Overlap : 195.687276790 Overlap scaled : 2.938247399248E-02 Overlap Similarity Index A-B: 0.291987448102 Overlap Distance Index A-B : 31.5900265680 --------------------------------------- --------------------------------------- -----------Molecules: --> 21-*- 21 methoxyhydroquinone !21 --> 20-*- 20 2,5-hydroxybenzaldehyde !20 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 2 1 Overlap : 369.799253785 Overlap scaled : 6.940676685155E-02 Overlap Similarity Index A-B: 0.726420939071 Overlap Distance Index A-B : 16.6900542935 --------------------------------------- --------------------------------------- -----------Molecules: --> 22-*- 22 2,3-dicyanohydroquinone !22 --> 1-*- 1 1,3,5-trihydroxybenzene !1 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 7 14 Overlap : 105.034747488 Overlap scaled : 1.940775082927E-02 Overlap Similarity Index A-B: 0.203821257385 Overlap Distance Index A-B : 28.6972737422 --------------------------------------- --------------------------------------- -----------Molecules: --> 22-*- 22 2,3-dicyanohydroquinone !22 --> 2-*- 2 2-(2-hydroxyethyl)resorcinol !2 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 9 9 Overlap : 116.469487233 Overlap scaled : 1.732145854148E-02 Overlap Similarity Index A-B: 0.210774519399 Overlap Distance Index A-B : 29.5336573559 --------------------------------------- --------------------------------------- -----------Molecules: --> 22-*- 22 2,3-dicyanohydroquinone !22 --> 3-*- 3 resorcinol !3 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 4 Overlap : 264.709231667 Overlap scaled : 5.565795451371E-02 Overlap Similarity Index A-B: 0.570676624780 Overlap Distance Index A-B : 20.3346253363 --------------------------------------- --------------------------------------- -----------Molecules: --> 22-*- 22 2,3-dicyanohydroquinone !22 --> 4-*- 4 5-methylresorcinol !4 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 7 11 Overlap : 105.096831241 Overlap scaled : 1.941922232836E-02 Overlap Similarity Index A-B: 0.216651468684 Overlap Distance Index A-B : 27.7307406261 --------------------------------------- --------------------------------------- -----------Molecules: --> 22-*- 22 2,3-dicyanohydroquinone !22 --> 5-*- 5 2-nitroresorcinol !5 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 2 9 Overlap : 226.606384824 Overlap scaled : 3.454365622319E-02 Overlap Similarity Index A-B: 0.390142602862 Overlap Distance Index A-B : 26.6378187415 --------------------------------------- --------------------------------------- -----------Molecules: --> 22-*- 22 2,3-dicyanohydroquinone !22 --> 6-*- 6 3-methylcatechol !6 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 15 14 Overlap : 161.997562538 Overlap scaled : 2.993303077199E-02 Overlap Similarity Index A-B: 0.333718254108 Overlap Distance Index A-B : 25.6081800415 --------------------------------------- --------------------------------------- -----------Molecules: --> 22-*- 22 2,3-dicyanohydroquinone !22 --> 7-*- 7 4-methylcatechol !7 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 3 Overlap : 269.600160797 Overlap scaled : 4.981525513616E-02 Overlap Similarity Index A-B: 0.555553634977 Overlap Distance Index A-B : 20.9835990676 --------------------------------------- --------------------------------------- -----------Molecules: --> 22-*- 22 2,3-dicyanohydroquinone !22 --> 8-*- 8 catechol !8 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 5 Overlap : 146.959959391 Overlap scaled : 3.089990735729E-02 Overlap Similarity Index A-B: 0.316661250198 Overlap Distance Index A-B : 25.4832695326 --------------------------------------- --------------------------------------- -----------Molecules: --> 22-*- 22 2,3-dicyanohydroquinone !22 --> 9-*- 9 4-nitrocatechol !9 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 6 Overlap : 154.414996802 Overlap scaled : 2.353887146374E-02 Overlap Similarity Index A-B: 0.265712165532 Overlap Distance Index A-B : 29.2334975432 --------------------------------------- --------------------------------------- -----------Molecules: --> 22-*- 22 2,3-dicyanohydroquinone !22 --> 10-*- 10 2,3-dihydroxybenzaldehyde !10 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 6 Overlap : 284.202177254 Overlap scaled : 4.813722514461E-02 Overlap Similarity Index A-B: 0.535572031736 Overlap Distance Index A-B : 22.2269450952 --------------------------------------- --------------------------------------- -----------Molecules: --> 22-*- 22 2,3-dicyanohydroquinone !22 --> 11-*- 11 (Pyrogallol)1,2,3-trihydroxybenzene !11 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 15 10 Overlap : 170.696739384 Overlap scaled : 3.154041747679E-02 Overlap Similarity Index A-B: 0.330998848172 Overlap Distance Index A-B : 26.3230629392 --------------------------------------- --------------------------------------- -----------Molecules: --> 22-*- 22 2,3-dicyanohydroquinone !22 --> 12-*- 12 1,2,4-trihydroxybenzene !12 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 1 Overlap : 296.630272016 Overlap scaled : 5.480973244942E-02 Overlap Similarity Index A-B: 0.575421895740 Overlap Distance Index A-B : 20.9919717408 --------------------------------------- --------------------------------------- -----------Molecules: --> 22-*- 22 2,3-dicyanohydroquinone !22 --> 13-*- 13 4,6-dinitro-1,2,3-trihydroxybenzene !13 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 4 Overlap : 281.251853914 Overlap scaled : 3.118091506802E-02 Overlap Similarity Index A-B: 0.393927791408 Overlap Distance Index A-B : 30.1735217799 --------------------------------------- --------------------------------------- -----------Molecules: --> 22-*- 22 2,3-dicyanohydroquinone !22 --> 14-*- 14 hydroquinone !14 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 7 10 Overlap : 104.682774256 Overlap scaled : 2.201067583184E-02 Overlap Similarity Index A-B: 0.225702536711 Overlap Distance Index A-B : 27.0828028071 --------------------------------------- --------------------------------------- -----------Molecules: --> 22-*- 22 2,3-dicyanohydroquinone !22 --> 15-*- 15 methylhydroquinone !15 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 2 Overlap : 233.600482873 Overlap scaled : 4.316342994695E-02 Overlap Similarity Index A-B: 0.481423230150 Overlap Distance Index A-B : 22.6322378488 --------------------------------------- --------------------------------------- -----------Molecules: --> 22-*- 22 2,3-dicyanohydroquinone !22 --> 16-*- 16 2,3-dimethylhydroquinone !16 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 5 Overlap : 172.332700233 Overlap scaled : 2.840024723679E-02 Overlap Similarity Index A-B: 0.340729248753 Overlap Distance Index A-B : 25.9111866158 --------------------------------------- --------------------------------------- -----------Molecules: --> 22-*- 22 2,3-dicyanohydroquinone !22 --> 17-*- 17 trimethylhydroquinone !17 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 5 4 Overlap : 203.000684770 Overlap scaled : 3.019046471887E-02 Overlap Similarity Index A-B: 0.386532565865 Overlap Distance Index A-B : 25.4175777625 --------------------------------------- --------------------------------------- -----------Molecules: --> 22-*- 22 2,3-dicyanohydroquinone !22 --> 18-*- 18 tetramethylhydroquinone !18 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 7 7 Overlap : 107.643466934 Overlap scaled : 1.458583562796E-02 Overlap Similarity Index A-B: 0.197809557860 Overlap Distance Index A-B : 29.5518324522 --------------------------------------- --------------------------------------- -----------Molecules: --> 22-*- 22 2,3-dicyanohydroquinone !22 --> 19-*- 19 tetrafluorohydroquinone !19 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 9 12 Overlap : 123.886413416 Overlap scaled : 1.678677688557E-02 Overlap Similarity Index A-B: 0.177407374408 Overlap Distance Index A-B : 34.4296508740 --------------------------------------- --------------------------------------- -----------Molecules: --> 22-*- 22 2,3-dicyanohydroquinone !22 --> 20-*- 20 2,5-hydroxybenzaldehyde !20 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 15 7 Overlap : 188.972508747 Overlap scaled : 3.200753874441E-02 Overlap Similarity Index A-B: 0.356260233298 Overlap Distance Index A-B : 26.1549375144 --------------------------------------- --------------------------------------- -----------Molecules: --> 22-*- 22 2,3-dicyanohydroquinone !22 --> 21-*- 21 methoxyhydroquinone !21 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 15 10 Overlap : 193.918611180 Overlap scaled : 3.195758259391E-02 Overlap Similarity Index A-B: 0.363539968349 Overlap Distance Index A-B : 26.0748832922 --------------------------------------- --------------------------------------- -----------Molecules: --> 23-*- 23 phenylhydroquinone !23 --> 1-*- 1 1,3,5-trihydroxybenzene !1 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 11 Overlap : 109.484342982 Overlap scaled : 1.692707838304E-02 Overlap Similarity Index A-B: 0.206614091765 Overlap Distance Index A-B : 29.0948002046 --------------------------------------- --------------------------------------- -----------Molecules: --> 23-*- 23 phenylhydroquinone !23 --> 2-*- 2 2-(2-hydroxyethyl)resorcinol !2 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 7 9 Overlap : 115.571341791 Overlap scaled : 1.438170007356E-02 Overlap Similarity Index A-B: 0.203398404083 Overlap Distance Index A-B : 30.0982769839 --------------------------------------- --------------------------------------- -----------Molecules: --> 23-*- 23 phenylhydroquinone !23 --> 3-*- 3 resorcinol !3 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 11 Overlap : 105.391892494 Overlap scaled : 1.854185300731E-02 Overlap Similarity Index A-B: 0.220963042328 Overlap Distance Index A-B : 27.6406355863 --------------------------------------- --------------------------------------- -----------Molecules: --> 23-*- 23 phenylhydroquinone !23 --> 4-*- 4 5-methylresorcinol !4 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 3 Overlap : 123.449709357 Overlap scaled : 1.908622593640E-02 Overlap Similarity Index A-B: 0.247487648160 Overlap Distance Index A-B : 27.6434673864 --------------------------------------- --------------------------------------- -----------Molecules: --> 23-*- 23 phenylhydroquinone !23 --> 5-*- 5 2-nitroresorcinol !5 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 7 11 Overlap : 176.074628498 Overlap scaled : 2.245849853291E-02 Overlap Similarity Index A-B: 0.294808130516 Overlap Distance Index A-B : 29.0260222845 --------------------------------------- --------------------------------------- -----------Molecules: --> 23-*- 23 phenylhydroquinone !23 --> 6-*- 6 3-methylcatechol !6 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 5 Overlap : 164.248324205 Overlap scaled : 2.539398951837E-02 Overlap Similarity Index A-B: 0.329051497249 Overlap Distance Index A-B : 26.1371465811 --------------------------------------- --------------------------------------- -----------Molecules: --> 23-*- 23 phenylhydroquinone !23 --> 7-*- 7 4-methylcatechol !7 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 10 Overlap : 109.763741422 Overlap scaled : 1.697027542083E-02 Overlap Similarity Index A-B: 0.219966320372 Overlap Distance Index A-B : 28.1399598130 --------------------------------------- --------------------------------------- -----------Molecules: --> 23-*- 23 phenylhydroquinone !23 --> 8-*- 8 catechol !8 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 1 Overlap : 133.020588755 Overlap scaled : 2.340263700830E-02 Overlap Similarity Index A-B: 0.278744435049 Overlap Distance Index A-B : 26.6298486110 --------------------------------------- --------------------------------------- -----------Molecules: --> 23-*- 23 phenylhydroquinone !23 --> 9-*- 9 4-nitrocatechol !9 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 2 Overlap : 146.888006597 Overlap scaled : 1.873571512722E-02 Overlap Similarity Index A-B: 0.245810109611 Overlap Distance Index A-B : 30.0253963957 --------------------------------------- --------------------------------------- -----------Molecules: --> 23-*- 23 phenylhydroquinone !23 --> 10-*- 10 2,3-dihydroxybenzaldehyde !10 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 7 15 Overlap : 119.583853732 Overlap scaled : 1.694782507539E-02 Overlap Similarity Index A-B: 0.219156560072 Overlap Distance Index A-B : 29.2428932393 --------------------------------------- --------------------------------------- -----------Molecules: --> 23-*- 23 phenylhydroquinone !23 --> 11-*- 11 (Pyrogallol)1,2,3-trihydroxybenzene !11 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 2 Overlap : 181.784862023 Overlap scaled : 2.810526623735E-02 Overlap Similarity Index A-B: 0.342807577628 Overlap Distance Index A-B : 26.5066117586 --------------------------------------- --------------------------------------- -----------Molecules: --> 23-*- 23 phenylhydroquinone !23 --> 12-*- 12 1,2,4-trihydroxybenzene !12 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 12 Overlap : 121.672315067 Overlap scaled : 1.881142780868E-02 Overlap Similarity Index A-B: 0.229537753153 Overlap Distance Index A-B : 28.6784215250 --------------------------------------- --------------------------------------- -----------Molecules: --> 23-*- 23 phenylhydroquinone !23 --> 13-*- 13 4,6-dinitro-1,2,3-trihydroxybenzene !13 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 19 Overlap : 132.605794874 Overlap scaled : 1.230109414415E-02 Overlap Similarity Index A-B: 0.180623881894 Overlap Distance Index A-B : 35.2080474378 --------------------------------------- --------------------------------------- -----------Molecules: --> 23-*- 23 phenylhydroquinone !23 --> 14-*- 14 hydroquinone !14 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 10 Overlap : 108.066218097 Overlap scaled : 1.901235364124E-02 Overlap Similarity Index A-B: 0.226590976474 Overlap Distance Index A-B : 27.5424107497 --------------------------------------- --------------------------------------- -----------Molecules: --> 23-*- 23 phenylhydroquinone !23 --> 15-*- 15 methylhydroquinone !15 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 3 Overlap : 117.309106211 Overlap scaled : 1.813684387921E-02 Overlap Similarity Index A-B: 0.235112908191 Overlap Distance Index A-B : 27.8688717581 --------------------------------------- --------------------------------------- -----------Molecules: --> 23-*- 23 phenylhydroquinone !23 --> 16-*- 16 2,3-dimethylhydroquinone !16 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 1 Overlap : 149.163184595 Overlap scaled : 2.056855827292E-02 Overlap Similarity Index A-B: 0.286810344359 Overlap Distance Index A-B : 27.3788548485 --------------------------------------- --------------------------------------- -----------Molecules: --> 23-*- 23 phenylhydroquinone !23 --> 17-*- 17 trimethylhydroquinone !17 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 3 Overlap : 123.972478099 Overlap scaled : 1.542713764304E-02 Overlap Similarity Index A-B: 0.229564807185 Overlap Distance Index A-B : 28.9133661539 --------------------------------------- --------------------------------------- -----------Molecules: --> 23-*- 23 phenylhydroquinone !23 --> 18-*- 18 tetramethylhydroquinone !18 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 4 5 Overlap : 124.354074486 Overlap scaled : 1.409910141569E-02 Overlap Similarity Index A-B: 0.222234282958 Overlap Distance Index A-B : 29.5256271039 --------------------------------------- --------------------------------------- -----------Molecules: --> 23-*- 23 phenylhydroquinone !23 --> 19-*- 19 tetrafluorohydroquinone !19 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 13 Overlap : 131.843441797 Overlap scaled : 1.494823603145E-02 Overlap Similarity Index A-B: 0.183610689519 Overlap Distance Index A-B : 34.6606386588 --------------------------------------- --------------------------------------- -----------Molecules: --> 23-*- 23 phenylhydroquinone !23 --> 20-*- 20 2,5-hydroxybenzaldehyde !20 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 13 Overlap : 187.819292860 Overlap scaled : 2.661838050740E-02 Overlap Similarity Index A-B: 0.344350217508 Overlap Distance Index A-B : 26.8003779424 --------------------------------------- --------------------------------------- -----------Molecules: --> 23-*- 23 phenylhydroquinone !23 --> 21-*- 21 methoxyhydroquinone !21 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 10 5 Overlap : 194.536769244 Overlap scaled : 2.682525775559E-02 Overlap Similarity Index A-B: 0.354671109303 Overlap Distance Index A-B : 26.6558866345 --------------------------------------- --------------------------------------- -----------Molecules: --> 23-*- 23 phenylhydroquinone !23 --> 22-*- 22 2,3-dicyanohydroquinone !22 --------------------------------------- --------------------------------------- -----------*OPTIMAL RESULTS*----------- --------------------------------------- ---------------------------------------- MAXIMUM Position Overlap Similarity (Translated-Rotated) ---------------------------------------- Atoms A - B Displacement : 7 9 Overlap : 133.840148937 Overlap scaled : 1.665507079848E-02 Overlap Similarity Index A-B: 0.234183838891 Overlap Distance Index A-B : 29.5938994875 ---------------------------------------