IBS-ZINC05051991 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.3630 0.8470 0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 1.3410 2.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 3.1930 1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 3.6400 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 5.0820 0.6500 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 5.9930 -0.3380 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9860 5.6600 -1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 7.3270 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 7.1630 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 5.7100 1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 5.2200 2.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5270 8.0100 1.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 8.4330 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 8.4300 -1.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 9.6970 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 10.7290 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 11.9300 0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1090 12.1050 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8400 11.0810 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 9.8830 -0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1690 11.1220 -0.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9020 12.2550 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 5.9880 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6190 5.5420 -1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0150 5.5060 -1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 5.9170 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 6.3670 0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 6.4030 0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 5.8670 -0.2360 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -0.2010 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 1.1030 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 1.0390 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 1.5760 2.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 0.2740 3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 1.9200 3.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 3.4190 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 3.6930 2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 3.3330 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 3.1730 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 9.3170 -2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 10.6010 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 12.7310 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 13.0530 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7750 9.0880 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8570 12.3540 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5540 13.1680 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9500 12.1060 -0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 5.2280 -2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 5.1630 -2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5460 6.6950 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 6.7610 1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 1.7020 1.8350 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8440 1.4720 2.1750 H 0 0 0 0 0 0 0 0 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 1 52 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 52 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 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 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 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END