IBS-ZINC04064607 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 -1.7910 0.6040 0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -0.7240 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 -1.6530 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 -2.8470 0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -3.1070 -0.3160 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -2.1420 -1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -0.9610 -1.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -2.4900 -2.4980 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -1.6950 -3.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -0.4400 -3.4990 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 0.3250 -4.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 1.4830 -4.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -0.2230 -5.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -1.7020 -6.0440 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3320 -2.0840 -6.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -2.3540 -4.8020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -3.6740 -4.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 -3.5670 -4.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 -4.9070 -4.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7590 -5.6430 -5.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3030 -6.8120 -5.3580 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6880 -7.5400 -5.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2520 -6.8590 -3.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -5.6750 -3.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 -5.4740 -2.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 -6.4580 -1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5040 -7.6280 -1.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6880 -7.8520 -3.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 -2.0440 -6.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6290 -3.2720 -6.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -3.9240 1.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 1.1440 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 1.2210 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 0.4670 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 -1.4550 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -3.4510 -2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -0.0480 -5.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 0.3370 -6.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -4.0930 -5.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 -4.3940 -4.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9150 -3.0170 -3.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 -2.9730 -5.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7130 -5.4340 -6.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -4.5660 -1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 -6.3060 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8310 -8.3810 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 -8.7650 -3.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 -4.2440 2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -4.7980 1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -3.5590 2.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 -1.0650 -6.3860 O 0 5 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 35 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 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 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 M CHG 1 51 -1 M END