PUBCHEM-ZINC06019403 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 0 0 0 0 0 0999 V2000 -0.0230 1.8190 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4940 1.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 -0.6350 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -0.5330 -1.3470 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -1.9030 -1.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -2.3530 -2.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 -3.7080 -2.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -4.6180 -2.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 -4.1730 -0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -2.8190 -0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 -6.0690 -2.2760 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9200 -6.4620 -3.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 -6.8710 -1.4750 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0000 2.1960 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1800 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1700 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 -0.2740 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 -1.7250 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 -0.2840 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 0.1060 -1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -1.6430 -3.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2100 -4.0590 -3.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -4.8860 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -2.4730 0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END