447820 -OEChem-03282414443D 15 14 0 1 0 0 0 0 0999 V2000 -1.6322 -0.8219 -0.0419 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0029 0.0783 0.0955 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4703 -0.0147 0.3401 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7920 -0.6603 -0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6925 1.4186 -0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4028 -0.0095 1.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7192 -0.7111 -1.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 -1.6889 0.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7414 1.4716 -1.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6287 1.8249 0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1156 2.0776 0.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4936 -1.7866 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7155 -0.8505 -1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8171 -0.4215 -0.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1054 0.1103 1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 M END > 447820 > 0.4 > 1 2 3 > 8 1 -0.99 12 0.36 13 0.36 14 0.36 15 0.36 2 -0.99 3 0.27 4 0.27 > 1 > 4 1 1 cation 1 1 donor 1 2 cation 1 2 donor > 5 > 1 > 0 > 0 > 0 > 0 > 1 > 1 > 0006D54C00000001 > -6.4625 > 20.297 > 139733 1 9150904861982591683 16714656 1 18342746264117384726 20096714 4 17904766570254375128 21015797 1 9799392421982469683 21040471 1 17977104552600135300 24536 1 17345189991663831874 29004967 10 18264215866548958451 5943 1 15961676546205533109 > 92.94 2 1.23 0.63 0.76 0.3 0 -0.13 0.01 -0.49 -0.08 -0.01 0.01 0.06 > 155.898 > 63.1 > 2 5 10 $$$$