IBS-ZINC02128124 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 0.2610 1.8690 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 0.4190 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -0.1250 -1.4060 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4400 0.5520 -2.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -1.5060 -1.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 -0.2380 -1.0890 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2090 -0.8320 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -0.9070 -2.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 -0.2670 -2.9430 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5810 -2.2170 -2.4840 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 -2.7110 -1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 -2.8950 -3.5240 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3670 -2.4820 -3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 -4.3920 -3.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2020 -4.6040 -1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5400 -4.6190 -0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2480 -4.8140 0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 -4.9930 0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2800 -4.9790 -0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5710 -4.7890 -1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6950 -2.6900 -4.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 -2.0440 -4.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6330 1.1000 -0.8830 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 2.0560 -1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 3.2640 -1.7240 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 3.6600 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 4.9590 -0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8340 5.3170 0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0610 4.4030 1.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 3.1160 1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8580 2.7320 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 1.3750 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 0.5290 1.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 1.8950 0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 2.4390 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 2.3080 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -0.1850 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 0.3780 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -1.4270 -1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -1.8900 -2.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -2.1860 -0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 -4.7870 -3.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9310 -4.9090 -4.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -4.4780 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 -4.8250 1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1710 -5.1450 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -5.1190 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0870 -4.7810 -2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 1.7980 -2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9560 5.6780 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2200 6.3220 0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 4.7030 2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7590 2.4090 2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 -3.2260 -5.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 -3.0670 -6.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 44 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 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 54 1 0 0 0 0 23 24 1 0 0 0 0 23 32 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 54 55 1 0 0 0 0 M END