PUBCHEM-ZINC05760912 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 -0.8190 -1.3700 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 -1.0990 -1.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 0.1940 -2.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 -2.3250 -1.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 -3.5350 -1.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 -4.7160 -2.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -4.6880 -2.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -3.4780 -3.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -2.2960 -2.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -3.4470 -3.7700 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4250 -4.4880 -4.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4340 -2.3810 -4.0310 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 -3.5580 -1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 -5.6620 -1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -5.6110 -3.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -1.3500 -2.8400 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 4 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 27 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