1201125 -OEChem-03292409093D 34 35 0 0 0 0 0 0 0999 V2000 1.3558 3.1508 -0.2304 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2427 2.5072 0.3181 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0611 -0.3962 0.3202 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1353 -1.8131 -0.1364 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6171 -3.0576 -1.2377 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6084 -2.6768 1.0007 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1065 0.7613 0.3786 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9456 -0.3778 0.7407 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4110 -1.1576 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7283 0.6236 0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1456 1.9380 -0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6468 2.0281 0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1552 2.1259 -0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2025 1.0897 -0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2666 -2.3548 -0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5294 0.3852 -1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8372 0.8426 0.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5201 -0.5949 -1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8278 -0.1376 0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1692 -0.8564 -0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7587 -2.0296 1.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7995 -0.0599 1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3491 -1.0431 1.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9965 -0.5090 -1.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5404 -1.5186 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 3.1144 -0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0305 0.5799 -2.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5789 1.3967 1.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7815 -1.1517 -2.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2913 -0.2896 1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1694 -3.8376 -1.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3009 -1.1402 1.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5004 -2.8234 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0411 -2.3875 1.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 12 2 0 0 0 0 3 10 2 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 15 1 0 0 0 0 5 31 1 0 0 0 0 6 15 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 15 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 20 2 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 M END > 1201125 > 0.8 > 1 6 5 4 8 3 7 2 > 27 1 -0.24 10 0.62 11 0.12 12 0.58 13 -0.18 14 0.03 15 0.66 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.38 20 0.08 21 0.28 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.57 30 0.15 31 0.5 4 -0.36 5 -0.65 6 -0.57 7 -0.42 8 0.3 9 0.06 > 5.4 > 8 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 3 5 6 15 anion 5 1 7 10 11 12 rings 6 14 16 17 18 19 20 rings > 21 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 001253E500000001 > 52.768 > 40.657 > 10498660 4 7853563634617697798 10928967 22 18411421670004933502 10968037 57 18341332197917474667 11089746 13 9583257023454220313 11405975 8 18341892927025099409 11963148 33 18117550950080396474 12107183 9 18126579929235283777 12236239 1 17844535607333227433 12293681 25 17895491330949515314 12363563 72 18336828580983530506 12553582 1 18191299373514620466 12623949 98 18266190585359471359 12916754 54 18410291398121219249 13009979 54 17988934318779018760 13140716 1 18268990886735391608 13533116 47 18271245027653795739 13911882 115 18188778386525451211 13955234 65 18197777902295099088 13965767 371 11599719528925456066 14251740 57 18342739620056471138 14251764 30 18198636436499013398 14347424 109 18343873221171849049 14767858 380 18261692410971543670 14863182 85 18264490757831687692 15375462 189 17988361602049159201 15475509 35 17768812314827744411 15537594 2 18129663139705447727 17492 89 18411981368888780643 17780758 139 17559670625430168946 17859628 70 18266463281079818904 1813 80 18341342097563982300 193927 3 18341049631570879382 200 152 18264481970349737729 20286276 3 18338801117587030340 20645477 70 18334285500455867200 20693207 138 17968093114259977303 21033650 10 16298939845293482101 21344244 246 18337968835694411636 221490 88 18409444757056651196 22950370 63 18339934705658652630 23424784 1240 17898865801177195371 23557571 272 17096070515839664245 23559900 14 18336251358532498984 312423 11 18412270518756031240 314194 84 18270675497509620975 3421961 26 18412261740169659568 345986 75 17846788411710103889 5104073 3 18343582923731081801 5486654 36 18269561533000454561 7970288 3 18339068281542988515 9709674 26 18261110811436698769 > 411.41 11.65 3.61 1.13 5.77 0.89 -0.17 9.84 1.43 -5.53 -0.19 0.7 0.35 1.01 > 846.569 > 238.6 > 2 5 10 $$$$