70536818 -OEChem-04252402273D 54 55 0 0 0 0 0 0 0999 V2000 -0.6944 -2.4020 1.8782 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2574 1.9746 -0.1199 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1191 -1.3748 -1.1829 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2980 2.7575 0.4117 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4226 1.3237 -0.6369 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5131 -0.0358 -0.3227 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9428 -1.0719 0.4342 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3218 0.1317 -0.9904 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3185 0.8150 -0.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3906 -0.9726 0.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0505 -0.0234 -0.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1605 -1.8603 0.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7173 0.7817 -0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9409 0.0114 -0.6664 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7828 -1.4419 1.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4311 -0.6309 0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2147 0.8266 -0.5524 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5152 -1.2333 0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8001 -0.5634 0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9492 0.7959 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8677 -1.2888 -0.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0844 -0.6550 -0.6665 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1658 1.4296 0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2334 0.7041 -0.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8832 -2.7586 -1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1582 3.4247 0.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3772 1.3359 0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2217 1.4298 0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3986 1.4976 -1.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2653 -1.6278 0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3150 -0.4291 1.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -0.5319 -1.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1744 0.6296 -0.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0589 -2.5208 1.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2717 -2.5007 -0.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8516 1.1398 0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6355 1.6814 -0.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8145 -0.2764 -1.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0916 -0.9048 -0.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3494 0.4176 1.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4789 -2.2960 0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2440 0.5544 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2619 -0.8176 -1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1131 1.3433 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6988 -2.3427 -0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6702 -3.3078 -0.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1096 -2.9040 -2.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 -3.1733 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3199 3.4288 0.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8815 3.0257 1.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4435 4.4707 1.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2690 1.8637 0.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6606 0.3150 0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9782 1.8626 1.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 17 2 0 0 0 0 3 22 1 0 0 0 0 3 25 1 0 0 0 0 4 23 1 0 0 0 0 4 26 1 0 0 0 0 5 24 1 0 0 0 0 5 27 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 8 17 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 16 18 2 0 0 0 0 16 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 M END > 70536818 > 1 > 10 12 31 46 56 54 13 47 33 16 50 53 25 17 14 35 48 9 55 63 38 30 32 57 34 36 2 5 20 59 40 39 60 52 15 18 23 62 37 11 1 4 21 29 24 49 58 43 6 27 8 51 42 41 3 7 44 26 45 28 19 61 22 > 33 1 -0.57 10 0.27 11 0.3 12 0.3 13 0.27 14 0.06 15 0.62 16 -0.14 17 0.57 18 -0.18 19 0.03 2 -0.57 20 -0.15 21 -0.15 22 0.08 23 0.08 24 0.08 25 0.28 26 0.28 27 0.28 3 -0.36 4 -0.36 40 0.15 41 0.15 42 0.37 43 0.37 44 0.15 45 0.15 5 -0.36 6 -0.81 7 -0.66 8 -0.8 9 0.27 > 10.2 > 9 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 cation 1 8 donor 6 19 20 21 22 23 24 rings 6 6 7 9 10 11 12 rings > 27 > 0 > 0 > 1 > 0 > 0 > 1 > 3 > 04344E720000000A > 96.2919 > 45.682 > 10 15 14779552275443899095 10835480 77 18341617048770031314 11135609 127 18058722645788448008 11386260 185 18343585144271709180 11991303 11 17561071549921859887 12838862 33 17821995528800817341 13402501 40 18335138730654784724 13685833 64 10592043566097971391 14251764 18 10809351035901234307 15064981 194 18265632042311020457 15183329 4 16917072152877181089 1754911 235 18410284802043223525 18335252 114 18342736299772224013 19053607 189 17906443677944221032 20281389 69 17458622290038677951 20554085 129 17167858664660594443 21033648 29 18041557061121738384 21150785 3 16630525154628638465 21315759 40 16917066647003563671 21585482 111 17969779671632066421 221357 26 18413108334111289772 22224240 67 17095241415574052347 22289505 5 18340494443657161372 23559900 14 18411982498723603722 4073 2 18114467854750643354 44317340 157 17987795336507007849 5385378 56 17313377894567607067 54076057 255 16081383955330476462 5758199 1 17967814921619410579 58902169 19 17846773014658555637 59521099 67 17774997986503733696 59682541 35 17313110744456477209 59682541 52 17775284967036952098 > 511.36 24.72 2.72 1.13 37.77 0.97 -0.13 8.69 9.25 -4.18 -0.48 -0.2 -0.54 2.61 > 1053.186 > 294 > 2 5 10 $$$$