IBS-ZINC04816187 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 0 0 0 0 0 0999 V2000 0.1040 1.4900 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 0.0360 -0.4490 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -0.6690 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 -0.1310 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -2.1350 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 -2.8750 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 -4.2440 0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4970 -5.0080 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1940 -6.5060 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4550 -7.3380 0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1620 -8.8400 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4270 -9.6580 0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2570 -11.1810 0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 -11.6220 0.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 -2.7890 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 -4.0150 -0.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 -1.9180 -0.6960 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 -0.5240 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 0.1760 -0.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 -2.4930 -0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 1.8720 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 1.8630 -1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 1.8700 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1410 -2.3950 0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 -4.7540 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2440 -4.7570 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 -4.7400 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 -6.7510 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7650 -6.7670 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2100 -7.0910 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8800 -7.0740 1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 -9.0890 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7350 -9.1060 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1770 -9.4030 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8490 -9.3870 1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 -3.5860 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 -2.1380 -0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9530 -2.1440 -1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3290 -11.8230 0.8420 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 M CHG 1 39 -1 M END