PUBCHEM-ZINC05679300 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 -1.5460 0.9570 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 -0.5020 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 -1.0250 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -2.3870 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -3.2400 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 -2.7220 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -1.3660 -1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -0.7930 -3.0650 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -4.9460 0.0380 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -5.4780 -1.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -4.9900 0.9040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -5.6690 0.8370 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7040 -5.8280 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5470 -4.5470 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -3.7920 1.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 -2.8520 2.3740 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5930 -2.1990 3.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 -3.8400 2.8040 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8470 1.4550 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 1.0780 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 1.4700 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -0.3700 1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 -3.3690 -2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 -5.1800 1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 -6.2030 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 -6.5950 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2540 -4.3920 -0.9930 O 0 5 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 27 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 CHG 1 27 -1 M END