IBS-ZINC02232245 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 60 0 0 0 0 0 0 0 0999 V2000 -0.2840 1.3940 0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 0.1360 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -0.4070 -0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 0.3150 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 1.5680 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 2.1140 0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 2.3000 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3670 3.4100 0.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 1.6660 -0.2100 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 0.4120 -0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5230 -0.1440 -1.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 -0.2200 -0.9150 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 -1.1300 -1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7880 2.3740 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3810 2.2800 1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6180 3.1840 1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3010 3.0900 2.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6090 1.6520 3.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3690 0.7590 3.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7350 0.8360 1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8090 1.0590 2.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3300 1.5860 1.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2640 -0.1250 3.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3790 -0.8460 2.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5880 -2.1940 3.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7630 -2.9570 2.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9630 -4.3080 3.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1340 -5.0810 2.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3970 -6.4490 3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6260 -6.7880 4.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 1.8140 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.4230 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 -1.3880 -1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 3.0950 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5090 1.9930 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6130 3.4280 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6360 2.6450 2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3330 2.9240 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3290 4.2270 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2190 3.6900 2.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6410 3.5480 3.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8980 1.6830 4.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6060 -0.2870 3.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6260 1.0740 3.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8340 0.2130 1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4190 0.4050 0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8240 -0.5020 3.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1800 -0.9770 1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2700 -0.2160 2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 -2.0410 4.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6720 -2.7930 3.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5820 -3.1130 1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6780 -2.3580 2.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1380 -4.1490 4.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0450 -4.9020 3.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9560 -5.2430 1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0520 -4.4870 2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3730 -7.0780 2.7680 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 M CHG 1 58 -1 M END