16213487 -OEChem-03282405063D 8 7 0 0 0 0 0 0 0999 V2000 -1.0632 1.2616 -0.0197 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1343 -0.6123 1.0916 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1076 -0.6386 -1.0875 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4528 1.1701 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5489 -1.1023 0.0007 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5947 -0.0118 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8981 -0.0667 0.0132 C 1 0 0 0 0 0 0 0 0 0 0 0 2.4330 1.1321 -0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 6 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 7 2 0 0 0 0 6 7 1 0 0 0 0 M ISO 1 7 13 M END > 16213487 > 0.4 > 1 > 8 1 -0.34 2 -0.34 3 -0.34 4 -0.65 5 -0.57 6 1.08 7 0.66 8 0.5 > 1 > 3 1 4 acceptor 1 5 acceptor 3 4 5 7 anion > 7 > 0 > 0 > 0 > 0 > 1 > 1 > 1 > 00F765EF00000001 > 4.8399 > 15.28 > 20096714 4 18338798888366543680 21015797 1 8574447438231284876 24536 1 18040713684105539060 29004967 10 18192148424240658971 5943 1 13158934730374977287 > 110.5 1.78 1.16 0.81 0.35 0.22 0 -0.05 0.01 0.19 -0.01 -0.32 -0.18 0 > 213.866 > 67.2 > 2 5 10 $$$$