652912 -OEChem-03282410303D 33 35 0 1 0 0 0 0 0999 V2000 -3.7468 -1.1245 -0.8886 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3109 -2.2186 0.1156 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4404 -2.5044 0.3704 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2183 -1.1118 -0.2129 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7308 0.8230 -0.3038 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5362 1.7685 -0.5802 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4616 -0.6084 -0.7591 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0524 1.0031 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8163 1.0917 -0.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 2.8160 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9132 -0.3018 -0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5778 2.3948 1.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5696 -1.5252 -0.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9899 1.8604 -0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 -0.8768 -0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2428 1.2675 -0.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3391 -0.0996 -0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2951 -2.6540 1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5977 1.2097 -0.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6363 2.1969 -1.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3916 -0.6475 -1.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5202 0.2980 1.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1275 0.9098 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2869 3.7900 0.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0794 -2.1143 -0.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8471 2.9772 2.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 2.9322 -0.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1415 1.8737 -0.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 -0.5567 -0.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4875 -1.7137 -0.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -2.2414 2.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3684 -3.7450 1.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -2.3624 1.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 30 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 13 2 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 25 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 5 19 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 20 1 0 0 0 0 7 13 1 0 0 0 0 7 21 1 0 0 0 0 8 12 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 12 2 0 0 0 0 10 24 1 0 0 0 0 11 15 1 0 0 0 0 12 26 1 0 0 0 0 14 16 2 0 0 0 0 14 27 1 0 0 0 0 15 17 2 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 M END > 652912 > 0.6 > 1 5 4 7 8 9 3 6 2 12 11 10 > 24 1 -0.65 10 -0.29 11 0.1 12 -0.29 13 0.66 14 -0.15 15 0.08 16 -0.15 17 -0.15 18 0.28 2 -0.36 24 0.15 25 0.4 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.57 30 0.5 4 -0.87 6 0.28 7 0.43 8 0.14 9 -0.14 > 2.6 > 9 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 cation 1 4 donor 3 1 3 13 anion 5 5 6 8 10 12 rings 6 4 5 6 7 9 11 rings 6 9 11 14 15 16 17 rings > 18 > 0 > 3 > 0 > 0 > 0 > 1 > 1 > 0009F67000000001 > 62.5481 > 45.955 > 108231 29 17835247014167564560 10967382 1 18194402427319806638 11680611 10 18266178340280557318 12202030 40 15575577733943424976 12251169 10 18195531385369918992 12423570 1 8424476114061721669 13032168 30 18339368586109161280 13140716 1 18339362946352806427 13172582 1 17834959663849750696 13538477 17 18341337695132962612 14178342 30 18338790127213593400 14617773 55 18272084963926287293 14787075 74 17692247860675210292 15001771 113 18410575097669514573 15309172 13 17547294402151512208 15375462 189 18339930432303375675 15420108 30 16327366361415039505 15442244 35 18194965145508666990 15490181 8 17841438029173234045 15906896 17 17845090662936350901 16945 1 18268154149732915700 18981168 100 14979661213628343184 200 152 18341324595424395551 20510252 161 18270403935492016040 21069387 34 15647595814430091536 21501502 16 18339927009050819422 22112679 90 17987535838820220633 22445834 79 18264216828711303416 23184049 29 18338794503426474174 2334 1 18411703213673805135 23388829 49 18340211889652064573 23419403 2 15814996446436280932 23566358 27 18264795202187625518 2748010 2 18341890861050650636 3312278 4 18337955709066410167 34934 24 18200024200170898671 352729 6 18054791680922398437 353137 74 18338233872676128516 394222 165 17170946239710100664 427121 178 16123921753764173657 568465 68 17685505637940481355 6992083 37 17904761081465363130 7097593 13 18048035173348222978 74978 22 18194683661904760860 81228 2 18341900640986225105 > 347.84 5.01 3.25 1.1 0.99 0.35 -0.37 1.82 0.14 -0.45 -0.89 -0.25 -0.02 -1.52 > 761.181 > 187.9 > 2 5 10 $$$$