IBS-ZINC02100549 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 -0.2170 1.4450 1.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 0.0730 1.9530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 -0.4800 0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 0.0880 -0.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 -1.9610 0.8720 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1800 -2.4240 0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 -2.5510 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 -4.0220 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 -5.0640 -0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 -5.1250 -2.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 -6.3560 -2.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 -7.5150 -2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 -7.4800 -0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -6.2420 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 -5.9230 1.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -6.5940 1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 -4.5820 1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 -3.8570 2.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 -2.4390 2.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -1.6570 2.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 -0.6100 2.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -2.1050 4.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6540 -1.3440 5.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -0.2350 6.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0540 1.0790 6.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3700 1.8770 5.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9310 1.4690 5.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 0.0020 5.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 1.5480 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 1.7980 2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 2.0520 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 -2.3990 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -2.0620 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 -4.2280 -2.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -6.4050 -4.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 -8.4620 -2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 -8.3830 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -3.9870 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 -4.2050 3.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -2.5070 4.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 -2.8480 3.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2020 -2.1880 5.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1320 -1.6970 6.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3340 -0.6150 6.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 -0.0420 5.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3790 0.9090 7.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8840 1.6870 7.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 2.9380 5.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9660 1.8190 4.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 2.0540 5.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 1.7770 4.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 -0.2650 6.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 -0.1900 4.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 -0.9110 4.8170 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0790 -0.3960 4.0440 H 0 0 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 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 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END