IBS-ZINC06645546 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 52 0 0 1 0 0 0 0 0999 V2000 -1.8980 -0.0160 2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -1.2410 1.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -0.9300 1.8170 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6430 -0.0730 1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -0.4970 3.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -2.1210 1.2630 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8750 -2.4760 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7530 -1.5950 0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 -2.0100 1.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -3.2680 2.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -4.2780 2.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 -4.3540 1.5170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -5.3070 3.3430 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8630 -4.7590 4.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 -6.0960 3.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 -7.1660 4.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 -8.0980 4.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -7.3470 4.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 -6.2530 3.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 -7.3640 5.9750 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 -6.8050 5.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -8.6670 6.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -6.2030 6.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -4.8560 6.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -3.9520 7.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -4.3950 8.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 -5.7450 8.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -6.6560 7.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 0.7770 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9540 -0.2820 1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7680 0.3830 3.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -1.9910 2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -1.6670 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 0.4280 3.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -1.2620 3.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 -0.3000 3.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -3.2660 2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -6.5640 2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 -5.4310 2.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1260 -7.7490 3.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 -6.6800 5.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -8.6900 3.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -8.8150 5.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 -5.6840 3.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 -6.7240 2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 -4.5020 6.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -2.9000 7.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0170 -3.6880 9.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6460 -6.0870 9.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -7.7070 7.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 -0.8360 -0.0820 O 0 5 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 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 51 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 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 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 M CHG 1 51 -1 M END