IBS-ZINC02273760 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 -4.0490 -1.2510 4.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 -1.6460 3.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 -2.6780 3.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -3.0300 2.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 -2.3440 1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 -1.3000 1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -0.9510 2.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 -2.8000 -0.0210 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 -1.9960 -1.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -2.7850 0.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -4.4050 -0.2540 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 -4.7190 -1.1440 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3610 -4.2380 -2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 -6.2350 -1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -6.6710 -2.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -7.4810 -2.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8770 -4.2440 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3640 -4.7160 0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5740 -4.2460 1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3140 -3.2970 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8430 -2.8130 -0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6310 -3.2900 -1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4580 -1.8800 -1.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6700 -1.3120 -1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1430 -0.2720 -2.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3810 0.5210 -1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6930 1.6220 -2.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6090 -0.3710 -1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 -0.4870 5.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0370 -0.8530 4.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2040 -2.1140 5.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 -3.2180 4.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -3.8360 2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9630 -0.7600 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 -0.1380 2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 -5.0360 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7160 -6.8030 -0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -6.4950 -2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7890 -5.4390 1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9370 -4.6150 2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2490 -2.9570 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2670 -2.8970 -2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4250 -2.0980 -0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4910 -0.8210 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3160 0.4230 -2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3380 -0.7700 -3.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1570 1.0040 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9300 1.2010 -3.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5480 2.2230 -2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8380 2.2970 -2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4890 0.2280 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8360 -0.9320 -2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4590 -1.0890 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -6.1530 -1.4500 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 54 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 M CHG 1 54 -1 M END