IBS-ZINC04027267 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 -0.2790 1.5520 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 0.0400 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -0.5480 1.2170 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3980 -0.3250 2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 0.0130 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0690 -0.6610 2.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 -2.1990 2.3170 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6250 -2.6270 2.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -2.0710 1.0830 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4100 -2.3710 0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -2.6340 1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 -3.9810 1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 -4.5040 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 -3.6900 0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 -2.3550 0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5440 -1.8310 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -0.5130 0.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8510 -2.7850 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4770 -2.7430 3.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8490 -3.1980 4.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2840 -3.7540 5.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0210 -3.4100 8.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -2.7760 9.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -3.3590 9.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -3.2640 8.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 -3.8990 6.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -0.1770 -1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 2.1140 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 1.9500 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 1.7580 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 -0.1510 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 1.0930 1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1130 -0.3230 2.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -0.3040 3.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -4.6280 1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -5.5470 1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 -4.0940 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 -1.7210 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9160 -2.5870 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 -3.8720 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 -2.3780 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 -4.8490 5.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2980 -3.4110 6.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9910 -2.9040 8.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 -4.4810 8.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5800 -2.9270 10.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0820 -1.6930 9.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 -4.4090 9.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -2.8290 10.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -3.7570 8.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -2.2100 7.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -4.9740 7.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 -3.7330 5.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3570 0.2870 -1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -1.2390 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 0.2520 -2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3760 -3.2580 7.0370 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2490 -2.2520 6.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 3 0 0 0 0 20 21 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 57 1 0 0 0 0 23 24 1 0 0 0 0 23 46 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 52 1 0 0 0 0 26 53 1 0 0 0 0 26 57 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END