PUBCHEM-ZINC05895066 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 0.0040 1.2360 1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -0.0900 1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 -0.5860 1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 0.2330 1.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 1.5600 0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 2.0730 0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 3.5140 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 4.5360 1.5070 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1440 4.4140 1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 5.9080 0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 6.5070 0.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 4.4420 2.5880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 3.6400 3.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 2.9600 3.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 3.6790 4.4620 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 2.8880 5.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 3.5610 6.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 2.7210 7.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6970 1.3030 7.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7180 0.6250 6.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 1.4620 5.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -2.2220 2.0540 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 1.6200 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 -0.7230 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 -0.1470 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2560 2.1980 0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 3.7110 -0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 3.6290 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 5.0680 2.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 4.2700 4.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 2.8340 6.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 4.5520 6.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9800 3.7260 6.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 2.6800 8.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 3.2010 8.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 0.7100 8.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6920 1.3360 7.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 0.4610 7.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -0.3620 6.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 1.4970 4.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 0.9680 4.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0550 6.2570 0.1180 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 2 0 0 0 0 10 42 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 M CHG 1 42 -1 M END