IBS-ZINC04040161 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -2.1820 -1.2970 0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -1.1970 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -0.7980 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -0.8500 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -1.2570 -0.7350 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 -1.3800 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -1.4800 -0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -1.9400 -2.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 -2.1000 -2.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -2.1860 -3.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 -2.6380 -4.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8460 -0.5080 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -0.4000 2.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -1.4240 3.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -2.9210 3.4300 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8790 -3.2160 2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -3.5140 4.7680 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -2.5100 5.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -2.6510 6.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -1.2090 4.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 0.0040 5.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 -4.9460 5.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -5.4600 5.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -7.6690 4.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 -7.3750 6.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -3.3560 2.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -3.7760 1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 -4.0820 1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 -3.8300 2.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 -3.3850 3.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 0.7780 2.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 -0.3440 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -2.0790 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -1.5410 1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 -3.5730 -4.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -1.8830 -4.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -2.7990 -5.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 -1.4170 1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4740 -0.0420 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 0.1850 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -5.1060 5.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -5.4830 4.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 -5.2990 4.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 -4.9220 6.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 -7.5120 3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -7.3410 4.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -8.7290 4.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 -6.8320 6.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2480 -7.2070 5.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 -8.4400 6.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -3.8640 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 -4.4470 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 -3.9590 2.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -0.0340 6.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -6.8960 5.6080 N 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 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 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 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 31 2 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 55 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 55 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 M END