IBS-ZINC02414542 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 0.1400 2.0780 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 0.5600 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 -0.0260 -1.2590 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -0.2410 -1.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 -0.0050 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5940 -0.3500 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 -0.9180 -2.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6220 -1.1310 -3.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 -0.8150 -2.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -0.9310 -3.2470 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -0.4560 -2.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 -0.4190 -2.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -1.4820 -4.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -2.9880 -4.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9530 -1.2680 -2.8690 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0570 -1.9180 -4.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0660 -2.1170 -4.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4020 -2.3960 -4.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2420 -3.0970 -5.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5870 -3.5750 -6.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5770 -3.3760 -5.6870 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6900 -4.2250 -7.5350 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9200 -4.7630 -7.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8020 -5.2580 -6.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0140 -5.7900 -7.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3510 -5.8280 -8.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -5.3360 -9.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2570 -4.8080 -9.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9400 -5.3910 -11.4970 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 2.4900 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 2.3120 -1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 2.5150 0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 0.3260 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 0.1490 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 0.4380 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4790 -0.1810 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -1.0000 -4.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 -1.2990 -5.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 -3.4690 -4.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -3.1700 -3.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -3.3980 -5.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7530 -1.0450 -2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0730 -1.5440 -4.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8190 -3.0960 -3.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5710 -3.9490 -5.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8240 -2.3970 -6.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9120 -4.3190 -8.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5400 -5.2280 -5.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7000 -6.1750 -6.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3000 -6.2440 -9.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5720 -4.4280 -10.0200 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 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 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 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 51 1 0 0 0 0 M END