PUBCHEM-ZINC01995275 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 22 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 1.5710 -1.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 2.8660 -1.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 3.8230 -0.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 2.9120 -2.6490 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 1.6030 -3.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 0.8240 -2.0870 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 3.7070 -3.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 1.1670 -4.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7080 -0.2270 -4.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 -0.1690 -5.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6030 1.1730 -6.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 1.9460 -5.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3190 1.6720 -7.2570 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.8230 0.8200 -8.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4510 2.9680 -7.4540 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 -1.1160 -4.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7390 -1.0140 -6.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END