PUBCHEM-ZINC05996547 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 -0.1500 1.4120 -0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -0.0310 -0.3930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -0.7430 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -2.1060 -0.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -2.7750 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -2.0240 0.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 -0.6940 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 -0.0190 0.2540 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 1.2690 0.1780 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5800 1.8140 -0.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0810 1.9400 1.1650 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3390 -2.7240 0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -2.7350 2.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 -1.8080 2.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 -2.0450 4.2650 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -3.1220 4.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 -3.9780 3.2460 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -3.6310 6.2660 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 1.7810 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 1.6100 -1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 1.9170 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -0.2730 -1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.7080 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -3.7820 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -2.8310 0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 -2.2110 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 -3.7490 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4520 -0.9350 2.5700 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 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END