70125993 -OEChem-03282420553D 28 29 0 0 0 0 0 0 0999 V2000 0.7555 -1.5696 0.7767 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 0.9809 0.0918 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0167 0.4590 0.0232 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0403 -3.5793 0.1405 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8277 -2.2215 -1.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5742 0.7207 0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8705 0.6515 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3407 -0.3881 0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 1.9169 -0.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5704 0.8893 -1.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5642 0.3483 1.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7328 -0.3010 0.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 2.0044 -0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3584 0.8953 0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9636 0.8242 -1.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9574 0.2834 1.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6571 0.5214 0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5422 -2.4358 -0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6228 2.7964 -0.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0492 1.1204 -2.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0401 0.1692 2.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3258 -1.1679 0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0738 2.9393 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5033 1.0091 -2.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4862 0.0486 2.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0853 0.1228 0.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3292 0.2383 0.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2047 -4.2111 -0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 2 14 1 0 0 0 0 2 26 1 0 0 0 0 3 17 1 0 0 0 0 3 27 1 0 0 0 0 4 18 1 0 0 0 0 4 28 1 0 0 0 0 5 18 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 9 19 1 0 0 0 0 10 15 1 0 0 0 0 10 20 1 0 0 0 0 11 16 2 0 0 0 0 11 21 1 0 0 0 0 12 14 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 15 17 2 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 M END > 70125993 > 0.6 > 1 6 8 7 2 5 4 3 > 26 1 -0.23 10 -0.15 11 -0.15 12 -0.15 13 -0.15 14 0.08 15 -0.15 16 -0.15 17 0.08 18 0.87 19 0.15 2 -0.53 20 0.15 21 0.15 22 0.15 23 0.15 24 0.15 25 0.15 26 0.45 27 0.45 28 0.5 3 -0.53 4 -0.65 5 -0.57 8 0.08 9 -0.15 > 3 > 7 1 2 donor 1 3 donor 1 4 acceptor 1 5 acceptor 3 4 5 18 anion 6 6 8 9 12 13 14 rings 6 7 10 11 15 16 17 rings > 18 > 0 > 0 > 0 > 0 > 0 > 1 > 10 > 042E09A900000001 > 58.861 > 35.577 > 104564 63 17981042239037177567 10871710 139 16601557687403088980 12119455 92 18261107495605999040 12236239 1 17775567537446958353 12553582 1 17402902115839945019 12592029 89 18408600344626260467 12715332 25 18412823612344739314 13140716 1 18194112152599042216 13380535 76 18334016107480551859 13583140 156 16445281673539188488 13760787 19 18060696183386975693 13836976 161 18408603690648422765 14251717 144 18411136913867432329 15207287 21 17966970517362249099 15219456 202 17968091980578761781 15279307 12 18131626781900578095 15309172 13 18409732884584282024 15375358 24 17968094192829693645 15775835 57 18336263530564436652 16945 1 18335980883030018688 17138139 8 17556262346123041743 18175812 5 17676209112498502989 18186145 218 18272086132268616236 200 152 18412821400410591449 20344682 1 17967530177339365357 204376 136 18410575127876703920 20645477 70 18263072241733857431 21054139 6 18199734994770241007 21524375 3 18335140937866626208 22713019 99 18200887188508697302 23402539 116 18060133275966775172 23419403 2 15011013839265956292 23557571 272 16806170934817683149 23559900 14 16805880693865455712 2748010 2 18263659487921737274 3060560 45 18410572877303194172 33824 294 18408886205144492299 34934 24 18261387910501345168 4340502 62 18342749533225787483 58051976 378 18411134736603837029 633830 44 18059871548785584812 69090 78 18337105786762917968 7364860 26 18268995284580675895 77492 1 17703788102665603377 81228 2 17543900664986035074 81539 233 18335700511843994495 8272917 22 18269560451296547045 9999458 23 16660364809564575064 > 341.08 6.66 2.56 1.08 2.23 2.85 -0.07 -3.36 0.36 -1.38 -0.52 0.58 0.09 0.16 > 745.887 > 183.6 > 2 5 10 $$$$