67703982 -OEChem-03282405023D 24 25 0 1 0 0 0 0 0999 V2000 -1.9535 -0.3827 0.5327 N 0 0 2 0 0 0 0 0 0 0 0 0 -0.7720 0.3232 0.2196 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5493 2.0260 -0.3496 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8872 -1.4375 0.4369 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1313 -0.6040 -0.0375 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9166 -0.4953 -0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4976 -0.1791 0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3016 0.8922 -0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6892 0.1488 1.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6893 1.6507 -0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2388 -1.0339 -1.8445 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6665 0.6454 -0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2261 -1.5538 0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7198 -1.1862 -0.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3753 0.4752 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0184 0.2021 2.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5093 -0.5247 1.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0986 1.1479 1.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5562 2.2961 -0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5185 -0.3270 -2.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7234 -1.9792 -1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9906 -1.2277 -2.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3969 1.3971 -0.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6330 -2.5420 0.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 3 8 1 0 0 0 0 3 10 2 0 0 0 0 4 7 2 0 0 0 0 4 13 1 0 0 0 0 5 12 1 0 0 0 0 5 13 2 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 8 12 2 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 M END > 67703982 > 0.6 > 2 8 5 1 3 7 4 6 > 15 1 -0.69 10 0.04 12 0.16 13 0.47 19 0.15 2 0.45 23 0.15 24 0.15 3 -0.57 4 -0.57 5 -0.62 6 0.27 7 0.11 8 0.23 9 0.27 > 2 > 5 3 2 3 10 cation 3 2 4 7 cation 3 4 5 13 cation 5 2 3 7 8 10 rings 6 4 5 7 8 12 13 rings > 13 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 040914AE00000002 > 19.6313 > 25.978 > 11206711 2 18187930513068883444 12423570 1 12164343368045405861 12932764 1 18201723946321104736 14128692 85 18059000808701132479 16945 1 18334580182726038392 17844478 74 17313116266966618705 18534176 82 16443060608315625615 20201158 50 18040150712566622091 20653085 51 13479415989892574518 20871998 184 18053666867235930924 22112679 90 17774731964618295393 22802520 49 17096071498932968031 23419403 2 15224193638948631360 23552423 10 17969511411561784200 2748010 2 18191023409239452140 63268167 104 18339356482532475309 77492 1 18059862791631585187 81228 2 17970338213978123180 > 242.63 4.55 1.68 1.21 0.11 0.31 0.02 -1.27 -0.01 -0.49 0.22 1.29 -0.24 -0.78 > 512.023 > 136.2 > 2 5 10 $$$$