IBS-ZINC02131640 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 1.4030 0.0280 -1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 -1.1710 -1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 -1.8170 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -0.7380 -0.3870 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4660 0.0490 0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 -0.1610 -1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 -0.8520 -2.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 1.1700 -1.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 1.7410 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 1.9320 -2.0740 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9310 1.5010 -3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2880 1.9580 -1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9300 0.5980 -1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0450 0.0090 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6290 -1.2500 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0970 -1.9350 -0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9880 -1.3590 -2.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 -0.0970 -2.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 3.4340 -2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 3.8030 -1.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -1.8120 0.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6130 -3.0520 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -4.0470 0.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 -3.8430 1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 -4.8930 2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1380 -4.7260 3.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0460 -3.5030 4.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3470 -2.4480 3.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 -2.6260 2.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -1.5280 1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 -0.4440 2.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -0.2760 -2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 0.4640 -2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 0.8130 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -1.8970 -1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -1.1330 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -2.7330 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -2.0880 -0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2280 2.4420 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9760 2.5820 -2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6690 0.5260 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7130 -1.7000 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5410 -2.9200 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3470 -1.8940 -3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3210 0.3380 -3.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -3.1690 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 -5.8480 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6830 -5.5510 3.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5190 -3.3740 4.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2780 -1.4920 3.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0490 4.0980 -3.0770 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 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 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 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 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 51 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 M CHG 1 51 -1 M END