PUBCHEM-ZINC00481467 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 0 0 0 0 0 0999 V2000 -0.0860 0.6200 -0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -0.5790 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -0.4420 1.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -1.9420 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 -2.3770 -1.4850 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -3.1110 -2.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -2.5020 -4.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 -3.0010 -5.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -4.1100 -5.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -4.7380 -4.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -4.2440 -2.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 -4.9680 -1.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -4.5930 -1.0150 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5560 0.6530 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 0.5690 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 1.5350 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -2.6710 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.9060 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -1.6300 -4.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -2.5350 -6.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -4.5400 -6.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 -5.8730 -1.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 22 2 0 0 0 0 M CHG 1 13 -1 M END