61395455 -OEChem-03282415473D 31 33 0 0 0 0 0 0 0999 V2000 3.2287 -1.9253 -0.0017 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5811 -2.1772 -0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9633 1.9977 -0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7071 2.2336 0.0441 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -0.0462 -0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 -0.5742 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7138 -1.6417 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7998 -0.2984 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7046 0.5706 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6685 -0.0033 0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 -0.8413 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6457 -0.8407 1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 -1.3751 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3571 -1.3745 1.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6181 -1.3495 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1219 0.1748 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9437 1.9620 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3307 1.5562 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2573 2.4400 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6945 1.5126 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2171 -0.3535 0.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2165 -0.3549 -0.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1386 -0.6362 -2.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1352 -0.6351 2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8632 -1.5811 -2.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8598 -1.5801 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9649 -0.5094 -0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1123 2.6613 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3463 1.9433 -0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4391 3.5112 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9795 2.9785 -0.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 2 7 1 0 0 0 0 2 15 1 0 0 0 0 3 20 1 0 0 0 0 3 31 1 0 0 0 0 4 20 2 0 0 0 0 5 9 1 0 0 0 0 5 15 2 0 0 0 0 6 10 1 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 7 13 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 16 2 0 0 0 0 9 17 2 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 17 19 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 M END > 61395455 > 0.6 > 1 38 46 10 36 13 25 44 55 30 23 35 51 47 21 5 16 6 4 27 34 39 31 40 33 12 28 19 32 56 8 3 2 24 54 11 7 20 50 53 18 48 43 17 49 45 41 52 37 29 14 42 9 26 15 22 > 29 1 -0.08 10 0.2 11 -0.15 12 -0.15 13 -0.15 14 -0.15 15 0.44 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.15 20 0.66 23 0.15 24 0.15 25 0.15 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.65 30 0.15 31 0.5 4 -0.57 5 -0.57 6 -0.14 7 0.08 8 0.04 9 0.23 > 4 > 6 1 3 acceptor 1 4 acceptor 3 3 4 20 anion 5 1 5 8 9 15 rings 6 6 7 11 12 13 14 rings 6 8 9 16 17 18 19 rings > 20 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 03A8D1FF00000001 > 46.6161 > 30.576 > 10411042 1 17617941327309726594 11089746 13 18341043099489741326 11370993 144 18113336410040741970 11552529 35 17243023616019176642 12107183 9 18263634070590649354 12596602 18 16588029043068817457 12633257 1 16153713162519862805 12788726 201 17203333239363985497 13103583 49 12613037141770668573 13402501 40 18408322177054520469 13544653 18 10015579540903017343 13740256 8 9223237347097156706 13785724 45 17906448823615552898 14123255 352 18410575080637351341 1420 369 8502376641427069700 14251764 38 18270405966769018977 14790565 3 17758405450129697340 15163728 17 17345208722480595797 15188451 53 15864649374593951523 15196674 1 18410856563971719105 17834072 32 18412546513338459501 17959699 21 18413388756657242440 193927 3 11386358227781482738 20157964 124 18340768148515807199 20374829 77 11312060928721519423 21033648 29 18340482378318716904 21421861 104 17822838794332457330 21503847 285 18336547131834840810 21864079 5 18411135857178993906 22289505 5 18272092673930543420 23227448 37 18341332275226931727 23402655 69 18272368685329188382 23559900 14 18341894039854307986 270888 7 18410854373523028617 27216 239 18188775083906869795 2838139 119 18338509721736597405 335352 9 18410856543420250486 3472631 163 18272088284220909181 351380 180 18410292484774247337 4028521 119 18131636711358323704 4259306 186 9727627289753589889 465052 167 7853566933284099257 474 4 18410009927181233931 5104073 3 18040432196122926418 543358 83 18411982438747126442 57724786 102 18040998488220137188 59682541 35 18114477708470834873 6328613 192 18189343519330314676 633830 44 18409162199500704022 76465 3 10159710079302518670 8272917 22 18341613690211711598 > 392.85 12.54 2.65 0.91 2.41 0.93 0 9.18 0.04 -0.21 0 0.61 -0.33 0.01 > 848.716 > 216 > 2 5 10 $$$$