IBS-ZINC05478166 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 52 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 0.6730 -0.5820 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -2.1080 1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 -2.5320 -0.1620 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -3.8790 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -4.2970 -1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 -5.6520 -1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 -5.9450 -3.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4130 -7.2040 -3.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1770 -7.2620 -4.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 -6.0710 -5.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3730 -4.9010 -4.7810 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 -4.7990 -3.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1320 -3.3640 -2.7890 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4830 -6.1220 -6.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4770 -5.2080 -7.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4150 -5.6490 -8.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9420 -6.7990 -8.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3820 -7.0770 -6.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 -8.7020 -5.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2560 -9.4850 -4.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -8.5940 -3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 -6.5140 -1.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -6.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -4.7910 0.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -7.2550 1.0420 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -6.1390 2.2570 C 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 1.7100 -0.2470 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -0.2720 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -2.5500 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 -2.4370 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 -1.8700 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8700 -4.3170 -7.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6640 -5.1600 -9.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6950 -7.3940 -8.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2200 -8.7960 -6.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3430 -9.0640 -4.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 -9.5650 -5.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 -10.4700 -4.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 -8.9260 -2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 -8.6130 -2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -5.4560 1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -6.7220 2.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -5.5680 2.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 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 1 0 0 0 0 6 26 2 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 21 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 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M END