IFLAB-ZINC04138644 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 0 0 0 0 0 0999 V2000 0.2280 1.2280 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -0.1990 0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 -0.7270 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 -2.2550 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 -2.7970 0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2900 -2.9960 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4110 -3.4980 -0.6100 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3400 -3.6240 0.6670 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 -3.2160 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 -3.2080 2.7690 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0760 -3.8910 3.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8260 -3.9790 5.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 -3.6150 5.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7820 -4.4620 5.8900 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5530 -4.5530 7.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6930 -3.8320 8.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0330 -4.4090 7.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1970 -4.1800 6.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0770 -4.9000 5.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -2.7020 -2.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 -3.0290 -3.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 -2.5900 -4.4430 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -2.7070 -5.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 -1.9580 -4.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 -2.0020 -3.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1160 -1.4370 -3.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6630 -0.8400 -4.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9550 -0.7980 -5.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 -1.3460 -5.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 1.5500 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 1.6380 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 1.5860 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 -0.4100 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 -0.3590 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -2.5720 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.6240 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9330 -3.2440 3.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 -4.8870 3.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5330 -5.6010 7.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6030 -4.0810 7.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5860 -3.9750 9.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6560 -2.7680 7.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0590 -5.4790 7.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8440 -3.9150 8.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1620 -4.5710 5.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1460 -3.1130 5.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 -4.6560 4.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1830 -5.9770 5.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -3.5560 -2.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6700 -1.4680 -2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6490 -0.4010 -4.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3950 -0.3270 -6.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 -1.3090 -6.7040 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 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 M END