IFLAB-ZINC04518789 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6190 1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1380 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -0.4860 3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -1.8710 3.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -2.6330 2.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.0090 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -2.7520 0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -4.1730 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 -2.5020 4.2370 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1610 -1.8640 5.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 -2.8740 6.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -2.5010 7.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4880 -1.2010 7.5630 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9920 -0.2830 6.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -0.5990 5.6370 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1710 1.1490 7.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 2.1380 6.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 3.4700 6.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 3.8270 7.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0150 2.8490 8.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8460 1.5100 8.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6790 3.2050 9.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9070 -3.5250 8.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7740 -4.7050 7.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5600 -3.1480 9.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 -4.0830 5.5470 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 -4.9610 5.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 -3.8320 4.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 -4.6800 3.6570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 1.2160 2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 0.1060 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -3.7110 2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -4.4880 1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -4.6450 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -4.4700 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1320 1.8630 5.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 4.2350 5.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 4.8710 7.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2400 0.7470 8.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1100 3.2950 10.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6660 -2.2060 9.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9240 -3.8190 9.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 M END