PUBCHEM-ZINC00987870 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 1.4510 1.6110 -0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 1.2370 1.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.4310 2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 2.8500 2.7230 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 3.5080 1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 3.3140 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 3.7790 4.1390 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 4.9950 3.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 2.9160 5.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 4.2360 4.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 5.4070 3.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 5.7190 3.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 4.8650 4.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 3.7500 4.8940 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 3.4650 4.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4880 5.2120 4.2440 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5890 4.8000 5.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8780 5.0790 4.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0190 4.6900 5.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8940 4.0180 6.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6260 3.7280 6.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4810 4.1080 6.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4910 3.0050 8.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6530 2.9250 8.9900 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5890 3.6000 9.1140 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0590 1.7240 8.1230 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 0.5330 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 2.1150 0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 2.0190 -1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 1.7270 2.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 0.1720 1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 0.8380 2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 1.0460 3.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 3.0740 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 4.5770 1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 3.6750 -0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 3.8270 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 6.0780 3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 6.6330 3.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 2.5670 5.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7280 5.8630 3.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0080 5.6020 3.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0050 4.9140 4.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7930 3.7250 6.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 3.8780 6.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 1.8400 0.5240 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5600 1.3550 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 46 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 6 46 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 46 1 M END