PUBCHEM-ZINC02831362 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 34 0 0 0 0 0 0 0 0999 V2000 0.3380 1.0370 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -0.4740 -0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -0.9100 -0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -2.4210 -0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 -2.8570 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 -4.3030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 -4.9920 0.5380 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9810 -6.3940 0.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6130 -4.2420 1.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4320 -4.7170 -0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5500 -3.9560 -0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5090 -3.7400 -1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3510 -4.2840 -2.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2330 -5.0440 -2.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2710 -5.2570 -1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 -6.0660 -2.2740 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9910 -6.6500 -3.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 -6.1490 -1.4640 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3820 1.3480 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 1.2830 -1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 1.5550 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -0.9920 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -0.7200 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 -0.3920 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 -0.6640 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -2.9390 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -2.6670 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2290 -2.3380 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 -2.6100 -1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 -4.8570 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6730 -3.5310 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3820 -3.1460 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1010 -4.1160 -3.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1100 -5.4700 -3.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END