11174 -OEChem-03292408363D 11 10 0 0 0 0 0 0 0999 V2000 -1.6777 -0.2102 1.0760 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6940 0.0275 -1.0897 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4209 0.4471 0.0411 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9733 -1.3082 -0.1297 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 0.8133 0.0794 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 0.1758 0.0185 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0995 0.0548 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1759 -0.2265 -0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6740 1.4246 0.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0816 -1.7878 -0.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7974 -1.8974 -0.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 6 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 M CHG 2 1 -1 6 1 M END > 11174 > 0.4 > 1 2 3 > 11 1 -0.52 10 0.4 11 0.4 2 -0.52 3 -0.85 4 -0.85 5 -0.5 6 1.09 7 0.55 8 0.4 9 0.4 > 1 > 5 1 1 acceptor 1 2 acceptor 1 3 donor 1 4 donor 4 3 4 5 7 cation > 7 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 00002BA600000001 > 25.0421 > 25.515 > 139733 1 8862650305101654448 20096714 4 17418098719296968216 24536 1 18114184081754945116 29004967 10 18335148587055771744 5460574 1 9367352534935700624 > 112.39 2.62 0.89 0.84 0.48 0.23 0 -0.16 0 0.29 0.01 -0.51 0.03 0.06 > 211.556 > 68.8 > 2 5 10 $$$$