IBS-ZINC04837536 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 -0.1560 1.3020 -0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -0.0640 -0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -0.6700 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 0.0900 -0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 1.4600 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 2.0640 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 -0.5840 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7450 -0.0590 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0790 -0.7320 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1720 -1.1900 -1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0250 -0.7080 -2.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4870 0.6840 -2.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3590 1.6370 -2.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4880 1.1840 -0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8640 1.2420 -3.0540 S 0 0 0 0 0 0 0 0 0 0 0 0 11.1990 2.5360 -2.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8650 0.1970 -3.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2820 1.5390 -4.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0800 2.8770 -5.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6890 3.1760 -6.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5110 2.1440 -7.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7210 0.8080 -6.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1110 0.4770 -5.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2860 -0.8160 -5.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1260 -1.7850 -6.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7640 -1.5430 -7.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5520 -0.2240 -7.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 1.7720 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -0.6580 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -1.7370 -0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 2.0700 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 3.1270 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 -1.5570 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6700 0.8980 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5780 -0.5630 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9640 -1.8130 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7590 -2.1830 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7450 -1.2110 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8790 -1.3840 -2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4290 -0.7400 -3.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7350 2.6410 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7610 1.6840 -2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0520 1.1870 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6100 1.8300 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2360 3.6950 -4.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5370 4.2090 -6.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2160 2.3910 -8.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3080 -2.7960 -5.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6520 -2.3520 -8.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2630 -0.0050 -8.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9960 -0.2430 -1.0660 N 0 3 0 0 0 0 0 0 0 0 0 0 6.4360 -0.2500 -1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 51 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 51 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 14 51 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 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 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END