IBS-ZINC05178212 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.0350 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 -2.6230 -0.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 -2.7240 -0.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -4.1830 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 -4.8070 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 -5.1970 1.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 -5.8000 3.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6890 -6.2230 3.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5640 -6.7880 4.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3080 -6.9370 5.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 -6.5250 4.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 -5.9540 3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -5.5350 2.9670 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -4.9880 1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -4.6350 1.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6740 -7.1990 5.6630 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4740 -7.7750 6.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7950 -2.0440 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4480 -1.6020 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6520 -0.9320 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2080 -0.7010 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5630 -1.1380 1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 -1.8150 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -2.2510 2.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3620 -1.9810 3.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4630 -4.5130 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 -4.4870 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5960 -5.0660 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6640 -6.1070 3.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 -7.3810 6.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 -6.6460 5.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -5.6410 3.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4380 -8.0600 7.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8420 -8.6580 6.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9920 -7.0470 7.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0160 -1.7810 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1600 -0.5880 -1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1490 -0.1770 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 -0.9550 2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3440 -2.4520 3.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7530 -2.3810 4.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4730 -0.9040 3.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 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 1 0 0 0 0 28 29 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 M END