FDA-ZINC03830327 MOE2007 3D CORINA 3.40 0006 02.08.2006 84 90 0 0 1 0 0 0 0 0999 V2000 -0.6820 1.4900 -1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 0.0030 -1.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -0.3680 -2.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 -0.8410 -0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -2.3520 -0.4840 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1920 -2.7310 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3090 -2.7180 -0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 -2.7400 -2.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 -2.9230 0.0870 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5830 -3.3730 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2050 -3.3690 1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 -3.5650 2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -2.7210 1.5120 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1430 -1.6590 1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 -3.0120 1.8950 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6270 -3.1130 0.7450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 -4.0940 0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -4.3560 0.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -4.7280 2.2930 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2660 -4.2420 2.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -6.2750 2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3050 -7.0040 1.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -6.8340 3.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 -4.1560 3.3470 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 -4.1460 3.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 -4.5840 2.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 -3.5460 4.6340 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1960 -2.8140 5.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 -2.8470 4.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5410 -4.9020 4.8230 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2480 -4.3810 5.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2780 -6.1230 4.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4280 -7.2370 5.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5630 -7.3050 6.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -6.4310 6.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8210 -6.7340 7.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1460 -7.8670 8.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1820 -8.7400 8.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8810 -8.4240 7.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9300 -9.0380 6.3600 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3890 -9.8860 6.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2540 -8.3220 5.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6290 -8.8020 4.0450 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.3160 -5.2900 5.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 -4.6860 5.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3670 -3.2280 3.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -1.9520 2.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 2.1110 -2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 1.7870 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 1.7160 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -0.1490 -2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 -0.3080 -2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -1.3830 -2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 0.3080 -3.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -0.6650 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -0.4650 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0990 -2.7140 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 -4.3820 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6690 -2.3950 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9690 -4.1410 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 -3.2420 3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 -4.6280 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -6.5480 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 -6.9240 2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -8.0730 1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 -6.6320 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -6.4310 3.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -7.9240 3.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -6.5990 4.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -3.7590 4.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0160 -2.1280 3.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 -2.3360 5.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7070 -6.4830 3.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2680 -5.8140 3.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0140 -6.0920 8.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5800 -8.0780 9.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4210 -9.6140 8.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -5.0180 6.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9550 -2.7240 3.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 -2.5110 2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9520 -3.9960 2.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -1.7450 2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1810 -3.8790 3.7270 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6450 -4.3890 2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 51 1 0 0 0 0 3 52 1 0 0 0 0 3 53 1 0 0 0 0 3 54 1 0 0 0 0 4 5 1 0 0 0 0 4 55 1 0 0 0 0 4 56 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 57 1 0 0 0 0 10 58 1 0 0 0 0 11 12 1 0 0 0 0 11 59 1 0 0 0 0 11 60 1 0 0 0 0 12 13 1 0 0 0 0 12 61 1 0 0 0 0 12 62 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 63 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 22 66 1 0 0 0 0 23 67 1 0 0 0 0 23 68 1 0 0 0 0 23 69 1 0 0 0 0 24 25 1 0 0 0 0 24 70 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 45 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 29 83 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 44 1 0 0 0 0 30 83 1 0 0 0 0 32 33 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 34 1 0 0 0 0 33 42 2 0 0 0 0 34 35 1 0 0 0 0 34 39 2 0 0 0 0 35 36 2 0 0 0 0 35 44 1 0 0 0 0 36 37 1 0 0 0 0 36 75 1 0 0 0 0 37 38 2 0 0 0 0 37 76 1 0 0 0 0 38 39 1 0 0 0 0 38 77 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 44 45 2 0 0 0 0 45 78 1 0 0 0 0 46 79 1 0 0 0 0 46 80 1 0 0 0 0 46 81 1 0 0 0 0 46 83 1 0 0 0 0 47 82 1 0 0 0 0 83 84 1 0 0 0 0 M CHG 1 83 1 M END