IBS-ZINC02138676 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 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 -2.0580 -0.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7890 -2.4840 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -2.5900 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3180 -3.2130 -0.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -2.4260 -1.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 -1.8040 -2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -3.6310 -1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -4.4100 -0.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -4.0100 -2.9580 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0330 -3.3010 -3.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -3.9830 -3.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -4.2420 -5.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -5.5360 -5.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -5.7730 -7.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -4.7160 -7.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -3.4220 -7.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -3.1840 -6.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 -5.3580 -2.8900 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -6.4080 -2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 -7.6300 -2.4680 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 -7.9460 -2.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 -9.2610 -2.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5450 -9.5370 -2.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 -8.5230 -3.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 -7.2190 -3.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 -6.9180 -3.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 -5.5460 -3.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 -4.6150 -3.4840 O 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 0.7570 -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 0.2320 -0.1590 2.1380 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 -1.6000 -4.7540 -3.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -3.0060 -3.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 -6.3620 -5.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 -6.7840 -7.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -4.9020 -8.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 -2.5960 -8.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -2.1730 -5.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 -6.2160 -2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 -10.0570 -2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9020 -10.5540 -2.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4600 -8.7600 -3.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 -6.4350 -3.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5150 -2.3720 1.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 -2.7330 1.1780 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 4 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 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 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 54 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 31 1 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 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 50 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 30 31 1 0 0 0 0 31 32 2 0 0 0 0 54 55 1 0 0 0 0 M END