IBS-ZINC02446847 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 37 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 1.7920 -1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7830 2.2520 -2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 2.4880 -3.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 2.2570 -3.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 1.8200 -2.3170 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 2.5660 -4.6630 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2520 3.1800 -5.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 2.9640 -5.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 2.9350 -4.6950 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 3.4640 -7.0980 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 3.2450 -7.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 3.6230 -8.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 4.8700 -9.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 5.6590 -8.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 4.8060 -10.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 5.7320 -11.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 5.3330 -12.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 4.0150 -13.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 3.0900 -12.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 3.4700 -10.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 2.8030 -9.7720 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0510 1.4500 0.4550 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 2.4210 -2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 3.8820 -6.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 2.2030 -7.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 6.7590 -11.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 6.0530 -13.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 3.7160 -14.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 2.0660 -12.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 24 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 10 2 0 0 0 0 9 11 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 23 2 0 0 0 0 15 16 1 0 0 0 0 15 17 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 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 M END