PUBCHEM-ZINC05420172 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 27 0 0 1 0 0 0 0 0999 V2000 -0.1030 1.2330 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -0.2740 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -0.5720 1.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -1.9280 1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 -2.2930 2.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -3.7160 2.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 -4.5580 2.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 -3.9880 4.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6140 -3.3200 4.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 -5.3450 4.5860 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6550 -5.9950 4.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8330 -5.9440 4.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9280 -6.1520 2.2860 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 -6.7350 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7410 -5.2300 6.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 -4.0210 6.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -1.3470 3.3720 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4380 -0.6020 4.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -2.8470 0.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 1.6270 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 1.5150 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 1.7140 0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -0.6440 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -0.7330 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 -5.3160 4.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 -6.9340 4.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -3.7620 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 -6.3010 6.7780 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 17 18 3 0 0 0 0 19 27 1 0 0 0 0 M CHG 1 17 1 M CHG 1 28 -1 M END