70636857 -OEChem-04262410083D 61 65 0 0 0 0 0 0 0999 V2000 -0.4469 -2.1239 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0407 2.7541 -0.1895 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3663 1.6149 -2.1294 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2751 -1.1580 0.7155 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7588 0.0164 0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9245 0.0540 1.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1494 2.1516 0.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0411 0.2236 -1.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5053 -0.5320 1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7279 1.5714 0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6198 -0.3564 -1.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8349 1.5861 1.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7278 -0.3335 0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9570 1.7533 -0.9933 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3829 -0.5490 -0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4593 -0.3250 0.9751 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0194 -1.3024 -1.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1722 -0.8538 0.8797 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7323 -1.8313 -1.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8087 -1.6070 -0.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -1.3964 0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7953 -1.6460 -0.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9632 -0.8824 0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2547 -1.1060 -0.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4219 -0.3850 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5710 0.9822 -0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6664 1.5958 0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3279 -0.5266 1.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6287 1.7775 -0.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5663 0.8341 1.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4207 -0.3405 2.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0961 3.2439 0.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6164 -0.0568 -1.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9594 -0.2895 2.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5610 -1.6282 1.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2243 1.9888 -0.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1480 1.9051 1.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7127 -1.4464 -1.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1663 0.0318 -2.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8399 2.0138 1.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2739 1.8759 2.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8110 -1.4251 0.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7495 0.0590 0.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9653 2.1818 -0.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4854 2.1631 -1.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7177 0.2529 1.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6772 -1.5204 -1.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 -0.6793 1.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4534 -2.4175 -2.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3022 -0.3161 0.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5916 -1.7388 1.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0081 -2.7222 -0.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6656 -1.3522 -1.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7143 0.1839 0.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1037 -1.2096 1.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1352 -0.8215 -1.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4779 -2.1813 -0.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8330 2.6648 0.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0001 -1.1650 1.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4275 1.2907 1.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4065 3.2835 -0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 29 1 0 0 0 0 2 61 1 0 0 0 0 3 29 2 0 0 0 0 4 25 1 0 0 0 0 4 28 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 31 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 32 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 46 1 0 0 0 0 17 19 2 0 0 0 0 17 47 1 0 0 0 0 18 20 2 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 30 2 0 0 0 0 27 58 1 0 0 0 0 28 30 1 0 0 0 0 28 59 1 0 0 0 0 30 60 1 0 0 0 0 M END > 70636857 > 1 > 1 62 13 25 37 26 40 35 72 46 9 50 17 64 2 67 5 36 33 18 22 43 58 61 11 38 57 49 21 32 6 59 23 70 7 52 66 63 44 60 4 42 54 28 15 14 3 41 53 69 16 20 8 47 65 71 30 31 45 68 51 39 24 19 55 12 10 34 27 56 48 29 > 27 1 -0.36 15 -0.14 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.65 20 0.08 21 0.28 24 0.14 25 0.17 26 0.09 27 -0.15 28 0.16 29 0.63 3 -0.57 30 -0.15 4 -0.62 46 0.15 47 0.15 48 0.15 49 0.15 5 0.14 58 0.15 59 0.15 60 0.15 61 0.5 > 9.2 > 11 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 3 2 3 29 anion 6 15 16 17 18 19 20 rings 6 4 25 26 27 28 30 rings 6 5 6 7 9 10 12 rings 6 5 6 8 9 11 13 rings 6 5 7 8 10 11 14 rings 6 6 7 8 12 13 14 rings > 30 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 0435D53900000001 > 97.7095 > 68.353 > 10 15 18259987072362681555 10369192 42 18059858351416344359 10391435 84 10015571796897394583 10554248 39 17489308547152739286 10625338 131 18411413973460163841 11200772 48 14117511065588568493 11456790 92 17749374972104206888 11991303 11 17203040893376643206 12082328 90 16343986918947005223 125118 31 18411702110373670552 12539765 74 18202572791063196622 12643181 29 10807932661785914197 12664476 115 18342173372132435369 13685833 64 11241965984393117086 13782708 43 8646772205042063054 14251764 18 16660365891685356663 14849402 71 16950855811323730596 15183329 4 17846785104495400491 15392192 104 16226059902626239042 15419008 145 18041267773863760328 15510794 2 8070034354982112042 15604295 49 18199179784522564424 1577012 14 18343858927093913231 16989713 51 17201911747487809799 16991971 28 7853575759906564626 1754908 1 16225768540724042001 17686467 74 18263081171667646443 1818759 1 9943804509143512485 18603816 31 10953747746636512849 18608769 82 18411982486213345427 190975 80 12107786315600548902 19302320 297 18334581273363382396 19611394 137 17969514873801401779 20105231 36 12319444525574572149 2026 5 8070031060848496897 20281389 69 18334574641938729690 21033648 29 18269544091945250528 21130935 74 12252443541597520664 21424621 283 18187082853680640090 23576562 1 14907316677668878449 25269216 80 16199855247203055229 2838139 119 18340476846173784686 3178227 256 13479133505809740802 3711267 37 18060151916599821729 3918712 181 17846492686548980464 4073 2 18411423934143892099 44280117 145 17773310343850968039 504579 68 14405186157955581531 5470011 282 12823291329827225834 5758199 1 17894912940641905571 58083652 198 14201403807125503847 59682541 52 15913335676141118654 6126387 218 14273730756127391943 9689198 14 18412268341518751143 9953998 17 17894916227145935483 9962374 69 12974177340704001419 > 594.8 30.98 2.27 1.4 29.96 0.75 0.1 14.26 -5 1.01 0.44 -0.47 0.2 1.11 > 1298.19 > 316.2 > 2 5 10 $$$$