IFLAB-ZINC04061791 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -0.5890 -1.4900 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -0.2970 -2.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -0.2740 -1.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -2.2400 -1.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -2.9400 -1.4220 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2100 -2.3300 -1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 -3.1890 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -4.2790 -2.1420 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0400 -4.0980 -3.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -5.0720 -1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 -5.1710 -1.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 -5.9570 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 -6.4960 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -6.0030 0.0100 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -6.3270 -2.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 -7.1140 -2.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8510 -6.3320 -3.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9810 -5.0370 -2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 -4.2510 -2.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 -7.0500 -3.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2210 -6.4840 -3.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4050 -7.1940 -3.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4240 -8.4720 -3.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2550 -9.0370 -2.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0690 -8.3310 -2.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5900 -9.1700 -2.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5370 -10.4800 -2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -2.7440 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 -2.2360 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 -3.7100 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -3.7990 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 -4.6760 -2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 -6.1220 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 -7.1350 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -6.8930 -2.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 -6.1610 -3.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -8.0620 -3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 -7.3040 -1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 -4.4720 -2.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1860 -5.2040 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -4.0610 -3.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 -3.3020 -2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2060 -5.4900 -4.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3150 -6.7540 -3.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2710 -10.0320 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1580 -8.7740 -2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8500 -11.0990 -2.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1880 -10.4140 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5320 -10.9250 -2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -5.0330 -2.0860 N 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 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 57 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 57 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 M END