PUBCHEM-ZINC01855083 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 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 1.7970 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 2.2650 -2.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 2.5280 -3.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 2.2700 -3.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 1.8260 -2.3270 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5280 3.1060 -4.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2970 2.8520 -5.0240 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0790 3.5050 -3.2360 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2830 2.3630 -2.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 1.5510 -0.0160 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 -0.1140 2.4500 -4.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 4.1760 -4.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 2.6360 -5.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7240 1.3740 -2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4650 2.7080 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 1.6680 -2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 M CHG 1 7 1 M CHG 1 12 -1 M END