IBS-ZINC04980905 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 0.1100 1.3560 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 1.1080 2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 3.2200 1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 3.6160 2.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 5.1380 2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 5.5170 3.4920 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2120 5.6610 4.9150 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4560 6.4340 5.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 6.0640 5.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4470 6.1350 4.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8450 5.8000 3.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4420 5.7800 2.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7430 6.4660 4.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6740 6.3250 7.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3770 5.5920 7.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 7.4800 7.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 8.3890 6.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 9.4660 7.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 9.6480 8.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 8.7500 9.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 7.6700 9.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 8.9340 10.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 10.0730 11.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 4.3500 5.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 3.1850 5.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9650 1.9810 5.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 1.9380 6.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 3.1050 6.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 4.3120 6.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 3.0660 7.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 1.7890 7.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 0.2690 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 1.7030 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 1.7960 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 1.3920 2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 0.0260 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 1.4240 3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 3.6810 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 3.5620 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 3.2740 2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 3.1550 3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 5.4800 2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 5.5980 1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2810 6.4660 4.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 8.2490 5.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 10.1680 6.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 10.4930 9.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 6.9730 9.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 10.0050 11.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 10.9810 11.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 10.1010 12.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3240 3.2160 4.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 1.0730 5.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 0.9980 6.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 5.2210 6.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 1.3780 8.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6220 1.1150 7.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 1.8990 8.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 1.7590 1.0090 N 0 0 0 0 0 0 0 0 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 1 59 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 2 59 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 59 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 44 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 M END