PUBCHEM-ZINC05828605 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 28 0 0 1 0 0 0 0 0999 V2000 -0.1130 1.4280 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -0.1010 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 -0.6480 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 -2.1050 -0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 -2.7130 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 -2.0040 2.6590 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -4.4660 1.0760 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 2.0010 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 3.5380 -0.0060 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7710 3.8520 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 4.1750 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 5.4390 -0.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 3.9950 1.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 4.9510 1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 5.8530 -0.0940 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 5.4110 2.8110 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 1.7580 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 1.8180 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -0.5120 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 -0.4310 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 -0.1810 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9650 -0.3800 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -3.0340 3.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 -4.6420 2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 1.6380 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 1.6200 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 6.3550 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 6.6960 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 3.3710 -0.0820 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 2 0 0 0 0 11 29 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 M CHG 1 29 -1 M END