IBS-ZINC04827219 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 0 0 0 0 0999 V2000 1.1740 2.6710 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 1.7910 -0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 0.8780 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 0.2830 -0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 0.8120 -2.0830 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 1.7570 -2.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 0.4740 -3.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 1.4460 -4.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 1.1100 -5.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7860 -0.1920 -5.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4550 -1.1620 -4.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 -0.8330 -3.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 -0.6650 -0.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 0.6010 1.4130 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4660 1.1280 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 1.0760 2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 0.4310 2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9210 0.8670 2.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 1.9480 3.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 2.5920 3.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 2.1530 3.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 2.8400 3.2010 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1390 4.0530 3.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 2.1920 3.2090 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2410 -0.9030 1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 -1.3670 0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 -1.7250 0.2440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -1.1730 3.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -1.3820 4.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1210 2.1480 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 3.5920 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 2.9080 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 2.4630 -4.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 1.8650 -5.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3840 -0.4520 -6.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7950 -2.1780 -4.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 -1.5920 -2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3180 -0.3070 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 -0.4130 1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8720 0.3640 2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6430 2.2890 4.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 3.4370 4.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -1.4300 1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 13 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 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 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 25 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 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 43 1 0 0 0 0 26 27 3 0 0 0 0 28 29 3 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END