4764 -OEChem-03292405513D 38 41 0 0 0 0 0 0 0999 V2000 0.0681 -0.6796 1.6817 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1311 -2.6912 2.8191 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9074 2.6214 -0.3663 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5714 3.1224 -0.3774 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0061 -0.1860 0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1448 -1.4870 -0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3275 0.5706 0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2286 0.7058 0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -2.5480 0.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0514 -2.0407 1.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3364 -1.7366 -1.7913 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6359 1.6478 0.9497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4446 1.3655 -1.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2267 0.1850 -0.8801 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1399 0.8614 1.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2222 -3.8691 0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4597 -3.0612 -2.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4004 -4.1214 -1.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8379 2.3365 0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5671 2.1772 -1.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4287 0.8736 -1.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2623 1.6731 0.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7343 1.9494 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4759 2.3310 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3778 -0.9351 -2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 1.9627 1.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7422 1.2764 -1.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0446 -0.6456 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0108 0.3652 2.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1874 -4.6838 0.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -3.2721 -3.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4996 -5.1442 -1.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0708 3.1733 1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 2.6874 -2.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1198 0.5617 -1.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9673 1.7887 1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4043 2.2202 -1.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5598 3.4974 -1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 3 23 1 0 0 0 0 3 37 1 0 0 0 0 4 24 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 11 2 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 13 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 16 2 0 0 0 0 11 17 1 0 0 0 0 11 25 1 0 0 0 0 12 19 1 0 0 0 0 12 26 1 0 0 0 0 13 20 1 0 0 0 0 13 27 1 0 0 0 0 14 21 2 0 0 0 0 14 28 1 0 0 0 0 15 22 2 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 23 2 0 0 0 0 19 33 1 0 0 0 0 20 24 2 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0 M END > 4764 > 0.6 > 1 2 > 38 1 -0.43 10 0.63 11 -0.15 12 -0.15 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.57 20 -0.15 21 -0.15 22 -0.15 23 0.08 24 0.08 25 0.15 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.53 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 37 0.45 38 0.45 4 -0.53 5 0.71 6 -0.14 7 -0.14 8 -0.14 9 0.09 > 2.4 > 7 1 2 acceptor 1 3 donor 1 4 donor 5 1 5 6 9 10 rings 6 6 9 11 16 17 18 rings 6 7 12 14 19 21 23 rings 6 8 13 15 20 22 24 rings > 24 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 0000129C00000001 > 73.5859 > 35.612 > 107951 10 17896624863287892886 11045515 52 17331953336175417086 11488393 25 18128273202711635703 11578080 2 17321590040016393993 12160290 23 18118668053329291953 12707595 3 17470739801835935091 12730499 353 18266752290178564953 12788726 201 18048865587804573066 13004483 165 17623001709369417142 13134695 92 17178525911540464437 133893 2 17832157029932627217 13681431 1 17619063928332389513 13911987 19 17618822091857612558 14817 1 12601773512100054659 14955137 171 18051963728273012354 15906896 17 18189621720607749242 16945 1 18125995203116799243 17980427 23 17833792059947796219 1813 80 16903298849889152566 20101258 96 17689727780098596720 20600515 1 16904694134571746846 21285901 2 17558834141910502559 21304303 282 17836884066659195220 21524375 3 18408318878255438400 22713019 5 17908964836351325575 23419403 2 17329207503443330275 23559900 14 17767114308007163861 238 59 18198352766350337229 298252 57 18343581819887263928 35225 105 18339075024651303449 3729539 64 17979944643381209950 394222 165 18263917744194801281 404807 78 17827046780278463439 484985 159 15122129402031986004 5845 1 10051366938963206913 6442390 28 18411709802596975985 6786 2 18269575908356181783 7364860 26 18049440336107145777 81228 2 17975969087737821057 9841814 1 17541380133828122561 > 470.43 5.56 5.15 1.91 3.41 4.38 -0.55 -9.41 1.07 -2.59 0.96 -0.36 1.55 0.05 > 1062.733 > 247.8 > 2 5 10 $$$$