IBS-ZINC02131421 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 0.4330 1.0430 1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -0.3690 0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -0.7390 0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -2.1580 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6950 -1.8740 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 -4.0880 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3740 -4.6120 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1130 -5.3740 -0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3620 -5.8880 -0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8890 -5.6520 0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1780 -4.9000 1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9370 -4.3840 1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1950 -3.5720 2.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6760 -3.2500 3.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0630 -2.4960 4.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9500 -3.8500 3.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6870 -4.6360 3.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9320 -5.2010 3.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0090 -4.4300 3.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2380 -4.9860 4.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3690 -4.2000 4.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5250 -4.7860 5.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5640 -6.1500 5.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4370 -6.9380 5.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2880 -6.3430 4.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1690 -7.1670 4.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9710 -6.6560 4.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9940 -7.3790 3.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.9180 -3.8130 5.4440 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.5940 -5.6030 -2.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 1.2850 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 1.7770 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 1.1470 2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4480 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -1.0740 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 -0.6570 1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -0.0170 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 -2.2590 -1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -2.8600 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3030 -2.1280 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6460 -0.7980 -1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7330 -2.1990 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 -4.5240 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 -4.3650 -1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9420 -6.4790 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8640 -6.0740 1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2560 -3.6170 4.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9990 -3.3700 3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3600 -3.1360 4.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4660 -6.6010 5.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4520 -7.9990 5.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1940 -6.1860 -2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8630 -2.5720 -0.1370 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.2370 -2.3220 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 4 53 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 5 53 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 6 53 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 30 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 10 11 2 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 29 1 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 30 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END