IBS-ZINC02132305 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 44 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.8150 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -2.5530 0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -2.3880 2.5190 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5600 -2.0380 2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.9330 3.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 -2.4100 5.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -1.8710 6.5340 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 -2.5200 7.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -3.8510 2.4450 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 -4.5700 3.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 -4.0060 3.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 -6.0750 2.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -6.6170 3.7480 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 -7.9500 3.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 -8.7020 3.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9030 -8.4970 4.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1070 -9.8800 4.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1920 -10.3410 5.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0330 -9.4280 6.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8150 -8.1300 5.9090 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -7.6440 5.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5230 -12.1960 5.5400 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -0.8450 3.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -2.3570 3.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 -3.4980 5.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -1.9870 4.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 -3.6060 7.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 -2.0940 7.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 -2.2520 8.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -4.3020 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 -6.4480 3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 -6.3870 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1910 -6.0170 4.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4350 -10.5690 4.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8810 -9.7840 6.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6570 -6.5750 5.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 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 39 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 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 24 44 1 0 0 0 0 M END