10964458 -OEChem-03292404333D 8 7 0 0 0 0 0 0 0999 V2000 -1.0424 1.2672 -0.0207 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1444 -0.6045 1.0920 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1181 -0.6317 -1.0871 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 1.1635 0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -1.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5949 -0.0134 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8978 -0.0718 0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4361 1.1227 -0.0100 H 2 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 8 3 M END > 10964458 > 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 > 00A74DEA00000001 > 4.9375 > 15.28 > 20096714 4 18338798888377086688 21015797 1 8574446338724931852 24536 1 18040713684105539060 29004967 10 18192148424240652483 5943 1 13894314271967052071 > 110.5 1.78 1.16 0.81 0.35 0.22 0 -0.06 0.01 0.19 -0.01 -0.32 -0.18 0 > 213.903 > 67.2 > 2 5 10 $$$$