1237 -OEChem-03192405403D 26 26 0 1 0 0 0 0 0999 V2000 2.6186 -0.1375 1.5003 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2136 1.5235 0.5649 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3701 -0.8970 -0.1634 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2441 0.7955 -0.6880 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2445 -0.4193 0.1451 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7604 -0.5421 0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7893 0.6906 -0.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0473 0.5574 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1801 -1.7568 -0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4354 0.4425 0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2081 -1.8717 -0.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0158 -0.7721 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5466 2.3872 -0.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -1.3733 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3769 1.6685 -0.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5064 0.4877 -1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3898 1.5065 0.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7953 -2.6228 -0.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6471 -2.8238 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5864 -0.2093 1.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5116 1.0899 0.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5659 1.5315 -1.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5896 -1.8059 -0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1067 1.8440 -1.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6414 2.8242 -0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1748 3.1949 -0.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 20 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 12 1 0 0 0 0 3 23 1 0 0 0 0 4 7 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 9 11 2 0 0 0 0 9 18 1 0 0 0 0 10 12 2 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 M END > 1237 > 0.6 > 1 14 5 13 11 19 7 4 17 10 8 12 18 15 16 3 6 2 9 > 20 1 -0.68 10 0.08 11 -0.15 12 0.08 13 0.28 17 0.15 18 0.15 19 0.15 2 -0.36 20 0.4 21 0.36 22 0.36 23 0.45 3 -0.53 4 -0.99 5 0.42 6 -0.14 7 0.27 8 -0.15 9 -0.15 > 3 > 7 1 1 acceptor 1 1 donor 1 2 acceptor 1 3 donor 1 4 cation 1 4 donor 6 6 8 9 10 11 12 rings > 13 > 0 > 1 > 0 > 0 > 0 > 1 > 3 > 000004D500000001 > 38.5276 > 35.524 > 11206711 2 18343574157887173597 12138202 97 18059858341860915622 12186901 62 18342751714462454148 12932764 1 17632853140053810846 13024252 1 17895757416947886943 13380535 21 18128548067622212875 13380535 76 18195798571159214807 13538477 17 18188764088848666146 14325111 11 18411704253346014926 14614273 12 18410294679528909597 15669948 3 18340199795171897502 15775835 57 18261399918565240332 16945 1 18341886441676989267 20510252 161 18272375282077221345 20645477 56 18271533078167446504 20653085 51 18264220131409194218 21040471 1 18270678662584247387 21501502 16 18267864991144160295 21524375 3 18195237828634230937 2334 1 18342174406438967951 23402539 116 18270396208434179943 23552423 10 18265335014614620482 23559900 14 17989213599881866246 2748010 2 18198910206103486303 369184 2 16660356000117139619 5084963 1 18060426827942875954 53812653 8 18409167735560138767 > 244.94 5.43 2.02 0.89 3.45 0.35 0.15 2.06 -0.69 -1.71 -0.39 0.48 0.09 -0.31 > 502.019 > 142.5 > 2 5 10 $$$$