IBS-ZINC02197872 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 0 0 0 0 0 0999 V2000 -0.0100 1.5160 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.0140 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5180 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 -0.2180 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7790 0.0870 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 0.3520 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 0.3030 0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3080 0.5140 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4100 0.3110 2.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6720 0.4510 3.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7080 0.7680 2.5090 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5640 0.9500 1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3980 0.8280 0.6110 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8830 0.2130 5.0130 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6600 0.5200 5.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0800 0.3680 6.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2590 0.0800 7.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3690 0.5520 6.9470 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7420 0.5060 8.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1050 -0.3710 9.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4740 -0.4170 10.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4770 0.4090 10.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1170 1.2870 10.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7540 1.3320 8.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1030 2.0990 10.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4300 1.9960 11.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1890 0.0070 3.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2580 -0.0100 2.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9570 -0.2560 2.2100 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 0.1480 -1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -0.4890 -1.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -0.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 1.8900 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 1.8730 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 1.8760 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -0.0210 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -1.5940 1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6020 0.5890 -1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4310 1.2060 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2050 -0.1960 4.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8830 1.5320 4.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0380 0.7160 6.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3200 -1.0170 8.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9760 -1.0980 11.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7630 0.3710 12.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2540 2.0110 8.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5500 2.2320 12.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7580 0.9800 12.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2300 2.6960 12.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 1.1910 -1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 -0.3560 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -0.1870 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -1.6320 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 -0.1840 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 29 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 28 2 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 26 47 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 28 29 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 M END