IBS-ZINC02278042 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 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 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 -0.8690 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -1.3480 1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0100 -1.4840 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 -1.1420 -1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -0.6560 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5110 -0.3050 -2.3880 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -0.4430 -3.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 0.0060 -4.8100 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0120 1.0200 -4.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 -0.0190 -6.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 0.5240 -7.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 -0.2240 -8.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 -1.5830 -8.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -2.0680 -9.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 -1.2130 -9.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 0.1360 -9.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 0.6390 -8.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 1.9910 -8.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 1.8570 -7.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 2.9850 -7.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 4.2180 -7.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 4.3490 -8.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 3.2440 -9.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 6.0500 -9.4860 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 -1.9000 -11.1990 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -0.8780 -4.9310 O 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 -0.7640 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 -1.6160 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0230 -1.8590 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 -1.2490 -2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 0.0310 -2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5370 -1.4860 -3.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1480 0.1760 -3.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -1.0460 -6.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0820 0.5850 -5.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -2.2570 -7.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -3.1230 -9.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 0.8010 -10.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 2.8940 -6.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 5.0900 -7.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 3.3470 -10.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -1.7990 -5.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 49 1 0 0 0 0 29 50 1 0 0 0 0 M END