IBS-ZINC04040157 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 -2.5300 -0.3650 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -0.7550 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -1.0780 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 -1.3740 0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -1.2770 -0.6810 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -1.4550 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 -0.8940 -0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 -0.6960 -2.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0650 -0.3150 -2.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -0.9960 -3.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 -0.8370 -4.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 -1.7210 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -1.0790 2.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -2.2610 3.5490 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6610 -1.7850 4.8780 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9180 -0.7190 4.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -1.9930 5.8990 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 -2.7670 5.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 -3.1260 6.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 -3.0490 4.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -3.7620 3.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -1.4280 7.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -0.1200 7.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 0.7860 9.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 1.4540 8.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8740 -2.5820 5.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1850 -2.2400 5.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8720 -3.4550 5.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 -4.4570 5.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 -3.9370 5.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 -0.1710 3.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 0.7120 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 -0.8960 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 -0.6060 1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -1.1040 -5.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -1.5050 -4.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 0.2050 -4.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 -2.8040 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1820 -1.3860 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 -1.2420 2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 -2.1640 7.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -1.2800 7.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 0.6830 6.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -0.2740 6.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 1.5860 8.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -0.0800 9.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 1.1340 10.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2140 1.0660 8.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 2.3110 8.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 1.7200 9.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 -1.2420 5.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9190 -3.5870 5.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9820 -5.5340 5.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -2.9180 2.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 0.3590 8.7700 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6020 -0.4280 9.3240 H 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 1 0 0 0 0 14 54 1 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 2 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 55 56 1 0 0 0 0 M CHG 1 55 1 M END