69217 -OEChem-09032120423D 14 14 0 0 0 0 0 0 0999 V2000 2.6309 -0.0744 -0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6545 1.5568 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 -0.6311 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6198 1.0892 0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5132 -1.2543 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4087 -0.0348 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7211 0.7652 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 -1.4166 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6492 -1.8425 -0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6489 -1.8423 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9769 2.0377 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8816 -0.7626 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0191 -2.0448 0.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 -2.0458 -0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 7 2 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 M END > 69217 > 0.4 > 1 > 9 1 -0.57 11 0.37 2 -0.57 3 -0.66 4 -0.49 5 0.36 6 0.57 7 0.69 8 0.3 > 0.6 > 4 1 1 acceptor 1 2 acceptor 1 4 donor 5 3 4 5 6 7 rings > 8 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 00010E6100000001 > 10.3159 > 20.297 > 16714656 1 18340492269470026518 18185500 45 17908422811446837015 20096714 4 18194402182369410072 21040471 1 18194682557813484868 23552423 10 18260554381454914974 29004967 10 18047753985854590299 > 142.94 2.65 1.58 0.57 0.69 0.19 0 -0.45 0 -0.8 0 -0.01 -0.03 0 > 289.295 > 86.1 > 2 5 10 $$$$