IBS-ZINC05033799 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 -2.5230 1.7280 2.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6900 0.4670 2.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 0.6630 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4510 0.5980 -1.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 -1.5830 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -2.3690 1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 -3.8000 1.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 -4.5180 2.4310 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2220 -4.4550 3.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1450 -5.9100 1.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -5.9960 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 -4.6290 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6390 -4.3440 -1.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 -7.0890 -0.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -7.0500 2.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 -7.5140 2.7710 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 -7.5890 3.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 -8.3730 4.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4110 -8.9140 5.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7610 -8.6740 5.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1800 -7.9030 4.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2340 -7.3610 3.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6730 -9.1980 6.2250 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -3.9440 3.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -4.2030 2.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -3.5960 3.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -2.7090 4.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -2.4320 4.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -3.0550 4.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 -1.5680 5.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 -0.9810 6.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 2.0880 3.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 2.5340 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 1.5340 2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 0.6390 2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 -0.2950 2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 0.2180 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 1.7080 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 1.1640 -2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -0.4280 -2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 1.0340 -1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -1.7800 1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -1.8550 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2100 -2.0350 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5870 -2.2130 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 -6.7650 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -8.5680 4.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 -9.5240 6.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2410 -7.7380 4.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5920 -6.7900 2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -4.8820 2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 -3.8130 3.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -2.2530 5.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -2.8260 4.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -0.3610 7.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -1.7460 7.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -0.3280 6.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 -0.0770 0.7220 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7720 0.0870 0.4060 H 0 0 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 35 1 0 0 0 0 2 36 1 0 0 0 0 2 58 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 58 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 5 58 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 14 46 1 0 0 0 0 15 16 2 0 0 0 0 15 17 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 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 50 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 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END