PUBCHEM-ZINC05679300 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 -0.8260 1.1820 -0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 -0.3000 -0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 -0.8500 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -2.2090 0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -3.0190 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 -2.4700 -1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 -1.1100 -1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -0.4210 -3.2000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -4.7510 0.0580 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -5.3060 -1.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -4.8960 1.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 -5.3610 0.6610 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 -5.2980 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6870 -6.2650 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 -6.9380 1.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -2.7970 2.2800 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7040 -2.0720 3.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 -4.0060 2.4210 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1340 1.6910 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 1.3670 -1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 1.5600 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -0.2180 1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -3.1020 -2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 -5.7600 1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 -4.2870 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -5.5620 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8920 -6.3790 -0.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5090 -7.0130 0.2250 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 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 27 28 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END