71760249 -OEChem-04162409053D 78 82 0 1 0 0 0 0 0999 V2000 7.1364 -1.8611 -0.1710 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2395 1.4419 0.6876 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8197 0.2304 1.1405 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4753 1.7322 -1.8358 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9509 1.4601 -0.6145 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6032 2.5278 0.3131 N 0 0 1 0 0 0 0 0 0 0 0 0 -2.4076 -1.4860 -1.4822 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8542 2.7454 -1.2654 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3097 2.1059 -0.4584 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9330 1.7002 -1.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3242 3.1502 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8284 2.5848 -0.2996 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3424 3.4235 -2.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3202 -0.8829 -0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0860 0.2837 0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4581 -1.6598 0.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5962 0.4048 1.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1266 -1.3579 1.8973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 -2.7360 -0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1687 -0.3800 2.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6009 -2.5975 -1.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2910 2.1955 -0.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5787 3.0555 1.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3396 2.2344 -0.9196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4073 3.3857 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3228 -1.0942 -2.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7936 -2.0671 2.9085 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1064 -3.8158 -0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0746 -0.1174 3.5942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3731 -3.4854 -2.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 1.1400 -0.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1328 -4.7114 -1.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5291 -1.7983 4.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4923 -4.5469 -2.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 -0.8218 4.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 1.4578 -0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9938 -0.1916 -0.9269 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5943 0.4442 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9340 -1.2053 -0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2341 -0.8874 -0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3135 3.5244 -0.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7606 1.3521 -1.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4906 2.0280 -2.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4157 0.7823 -1.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9139 3.6145 0.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4787 3.9617 -0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5969 3.4008 -0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1789 3.7845 -3.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2408 2.7259 -3.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 4.2976 -2.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 0.8278 1.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9306 -0.2645 0.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6403 1.4171 0.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9322 3.0722 -0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0189 2.4087 1.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0325 4.0433 1.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5104 3.1531 1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8288 3.1336 -1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 1.9093 -1.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6966 4.3246 0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3075 2.8763 1.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8452 3.6367 2.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7651 -1.9951 -2.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1334 -0.4894 -2.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7629 -0.5484 -3.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3894 -3.9574 0.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5309 -2.8276 2.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7983 0.6402 3.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8523 -3.3636 -3.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8145 -5.5441 -0.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0522 -2.3475 5.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2922 -5.2535 -3.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3956 -0.6083 5.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4177 1.5140 -1.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9550 2.4908 -0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9841 -0.4532 -1.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6075 0.6914 0.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6536 -2.2421 -0.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 9 1 0 0 0 0 2 17 1 0 0 0 0 3 15 2 0 0 0 0 4 22 1 0 0 0 0 4 74 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 11 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 14 1 0 0 0 0 7 21 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 41 1 0 0 0 0 9 11 1 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 47 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 20 1 0 0 0 0 18 27 2 0 0 0 0 19 21 1 0 0 0 0 19 28 2 0 0 0 0 20 29 2 0 0 0 0 21 30 2 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 31 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 33 1 0 0 0 0 27 67 1 0 0 0 0 28 32 1 0 0 0 0 28 66 1 0 0 0 0 29 35 1 0 0 0 0 29 68 1 0 0 0 0 30 34 1 0 0 0 0 30 69 1 0 0 0 0 31 36 2 0 0 0 0 31 37 1 0 0 0 0 32 34 2 0 0 0 0 32 70 1 0 0 0 0 33 35 2 0 0 0 0 33 71 1 0 0 0 0 34 72 1 0 0 0 0 35 73 1 0 0 0 0 36 38 1 0 0 0 0 36 75 1 0 0 0 0 37 39 2 0 0 0 0 37 76 1 0 0 0 0 38 40 2 0 0 0 0 38 77 1 0 0 0 0 39 40 1 0 0 0 0 39 78 1 0 0 0 0 M END > 71760249 > 1 > 1 27 36 40 4 8 17 6 30 12 2 20 23 34 32 14 15 5 35 26 7 13 22 18 28 37 25 29 16 21 39 33 10 38 11 3 19 9 31 24 > 49 1 -0.19 10 0.3 11 0.27 12 0.3 14 -0.24 15 0.71 16 -0.05 17 0.42 18 0.05 2 -0.56 20 -0.14 21 -0.15 22 0.28 24 0.41 25 0.27 26 0.26 27 -0.15 28 -0.15 29 -0.15 3 -0.57 30 -0.15 31 -0.14 32 -0.15 33 -0.15 34 -0.15 35 -0.15 36 -0.15 37 -0.15 38 -0.15 39 -0.15 4 -0.68 40 0.19 5 -0.66 6 -0.81 66 0.15 67 0.15 68 0.15 69 0.15 7 0.05 70 0.15 71 0.15 72 0.15 73 0.15 74 0.4 75 0.15 76 0.15 77 0.15 78 0.15 9 0.28 > 7.2 > 10 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 4 donor 1 6 cation 1 7 cation 5 7 14 16 19 21 rings 6 18 20 27 29 33 35 rings 6 19 21 28 30 32 34 rings 6 31 36 37 38 39 40 rings > 40 > 3 > 0 > 0 > 0 > 0 > 1 > 1 > 0446F97900000001 > 124.2385 > 50.837 > 10764073 3 17826551909128223785 107951 10 17748828501359589857 11093857 51 17841111560536161351 11578080 2 17773586324941930616 12156800 1 17690225605446695318 12608794 3 18128277733469181411 1361 2 18199188382471214006 14028597 1 16844185462953603195 14040221 310 17975145541799555492 14279260 333 17749665170534288986 15082195 135 17837745870003590069 15274700 242 17749655334683848706 15361156 5 18187370978163725380 19315092 285 16911718841283470214 19319366 153 17459455676644565776 20764821 26 18055370041561493334 21133665 82 18115870690565258404 3383291 50 18413108355237973303 5080951 261 18189875635523496588 57527585 103 16953653076199645441 70251023 43 17616531104782838387 > 783.36 10.6 5.66 3.66 19.85 2.89 -4.62 -4.28 3.48 -2.06 3.48 -3.29 2.41 0.66 > 1694.357 > 432 > 2 5 10 $$$$