IBS-ZINC04733018 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 -0.4070 1.4600 0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -0.0460 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -0.6720 1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -0.6500 0.3830 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 -1.8320 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 -2.4570 -0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -3.6390 -1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -4.2540 -1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2120 -3.7040 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 -2.4500 -0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1540 -1.8900 0.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1580 -2.5500 0.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4370 -4.3260 -1.3110 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 -5.5210 -2.4980 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1710 -6.0730 -2.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2720 -6.0120 -2.7170 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5830 1.9100 0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 1.9070 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.6380 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 -0.2240 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -0.4940 2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -1.7460 1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 -0.2230 1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 -0.2190 0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 -2.0120 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -4.0980 -2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4850 -5.2920 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 -3.7970 -1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END