2834616 -OEChem-04192423203D 39 41 0 0 0 0 0 0 0999 V2000 0.2462 2.6629 -0.2078 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0089 -1.9408 -0.2737 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6831 0.3700 -0.3088 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0089 -0.2033 -0.1808 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1084 0.6073 -0.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8909 0.6283 0.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0669 -0.0876 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5985 1.2330 -0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -1.1864 -0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3984 0.8404 0.6338 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1488 1.4990 -0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2569 -0.9691 -0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4596 -0.3188 0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4889 2.3111 0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6968 -2.4950 -0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3385 0.7718 0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9416 -1.6355 0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8551 2.0775 0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0651 -2.7155 0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8246 -1.5162 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4335 0.0670 -0.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2509 1.5586 -1.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -0.1778 -1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 -0.2708 1.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5069 1.4550 1.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8645 0.8951 1.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5521 1.8165 0.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1383 3.3391 -0.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0347 -3.3546 -0.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4104 0.6137 0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0072 -1.8324 0.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5454 2.9138 0.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4504 -3.7304 0.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7807 -1.8409 0.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1800 -1.5407 1.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3759 -2.2815 -0.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5754 1.0338 -0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8800 -0.6886 -1.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9903 0.0778 0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 12 2 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 10 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 10 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 11 1 0 0 0 0 8 14 2 0 0 0 0 9 12 1 0 0 0 0 9 15 2 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 15 19 1 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M END > 2834616 > 0.6 > 4 5 7 9 10 2 13 11 8 14 12 3 6 1 > 24 1 -0.57 10 0.27 11 0.54 12 0.54 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.57 20 0.27 21 0.27 28 0.15 29 0.15 3 -0.42 30 0.15 31 0.15 32 0.15 33 0.15 4 -0.81 5 0.3 8 0.09 9 0.09 > 4.2 > 6 1 1 acceptor 1 2 acceptor 1 4 cation 6 3 7 8 9 11 12 rings 6 7 8 13 14 16 18 rings 6 7 9 13 15 17 19 rings > 21 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 002B40B800000004 > 53.9525 > 30.522 > 10062212 137 18335137635063363511 10319926 262 18270101484342840714 10411042 1 18050568740439520487 10493431 412 18269847411142050641 10616163 171 18410575106386270498 10967382 1 18338520725532038493 1100329 8 18411705404593091873 11045977 3 18202558493016620048 11315181 36 18187644739093737612 11578080 2 13541369081051663769 12011746 2 18411973655317557621 12107183 9 17903067842533703562 12236239 1 17821449071569233212 12390115 104 18129113212199005817 12403259 226 18199180883574528473 12403259 415 17988639731477974424 13009979 54 17896612858611240069 13140716 1 18195253449767974841 13167823 11 18334293171805508690 13675066 3 18131627924345839880 13862211 1 18267586991439810743 14420673 8 18193839246008545586 14790565 3 17764033462687139585 15042514 8 18337114587573121563 15196674 1 18411136969786578600 15256400 18 18411419501283000582 16087824 20 18412260624707115093 16945 1 18338806705866197637 17492 89 18120655991932778802 17804303 29 18341332279163287200 17844677 252 18340211885916311944 1813 80 17095525076398875670 18915476 22 16988012587024446110 18927931 339 18341899627195011431 21033648 29 17632001031716973616 21065198 57 18341890818575679248 21236236 1 18413107277200837607 21267235 1 18336834198875022539 21279426 13 18198064668876843870 22182313 1 18129399153920384695 2297311 6 18341059592100822078 2334 1 18338521824927647741 23366157 5 17825949509626615364 23402539 116 18342170076900599591 23557571 272 18272096006545720254 23559900 14 18342452669149523496 2748010 2 18194131728901130461 3004659 81 18336270030016019998 335352 9 18410292532346065557 34934 24 18335698287420219555 350125 39 18410295826385462641 4214541 1 18411136935558702560 5104073 3 18412820292414148216 559249 180 18334853884007258602 59755656 215 18411702041285221366 9709674 26 18343587313166617310 > 410.47 10.87 2.83 0.7 17.04 0.38 -0.04 0.68 -0.68 -2.86 0 0.27 -0.03 0 > 893.264 > 224.4 > 2 5 10 $$$$