IBS-ZINC04027812 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4480 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -0.6300 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 0.0140 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -2.1360 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4780 -2.5260 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -2.6640 1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -4.1350 1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -5.1430 2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 -5.1000 3.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 -6.2810 4.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -7.4670 3.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -7.5390 2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 -6.3560 1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 -6.0770 0.7560 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 -6.7240 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 -4.7470 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 -4.0170 -0.7420 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9680 -4.2300 -1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 -4.4640 -1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2580 -5.3980 -1.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5540 -5.8090 -2.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5980 -5.2860 -1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3440 -4.3520 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 -3.9460 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7710 -3.6360 0.4990 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8250 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8090 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7990 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -2.5210 1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 -2.1340 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -4.1800 3.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -6.2850 5.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -8.3660 4.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -8.4700 2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4430 -5.8060 -2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7520 -6.5380 -3.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6110 -5.6070 -1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8470 -3.2200 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 -2.5720 -0.4610 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 -2.3230 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 40 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 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 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 39 1 0 0 0 0 40 41 1 0 0 0 0 M END