IBS-ZINC04614584 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 -0.2040 1.2530 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 0.8790 2.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 1.7170 2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 2.9510 2.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 3.7370 3.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 3.2990 2.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 2.0740 2.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 1.2840 1.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 1.0000 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0880 1.2970 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5510 0.9180 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3470 1.3220 2.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 1.7090 2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6050 1.4060 1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2950 2.4100 2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2610 1.9640 3.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9370 2.8790 4.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6700 4.2410 3.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7200 4.6980 2.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0360 3.7930 2.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0760 4.1400 1.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9370 5.5310 0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2270 2.2630 5.2520 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 0.1910 -0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 1.5730 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 1.8760 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -0.1360 1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 0.7790 2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 3.3100 3.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 4.6890 3.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 3.9110 2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 1.7320 1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7570 0.3300 1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 -0.0840 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 2.3620 -0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7100 0.7310 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1370 1.2240 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 -0.1590 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4600 0.2510 2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7910 1.8980 3.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 1.4640 3.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 2.7970 2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7320 0.3790 1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0460 1.4780 0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4970 0.9040 3.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1970 4.9570 4.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5420 5.7680 2.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2160 5.6310 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8840 5.9660 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5340 6.0680 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 1.4750 0.9530 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7770 2.4940 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 1.6300 1.2480 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.0510 2.6530 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 51 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 51 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 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 34 1 0 0 0 0 9 51 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 53 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 14 53 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 45 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 18 19 2 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 51 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 51 1 M CHG 1 53 1 M END