IBS-ZINC05111220 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -0.9320 1.2980 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 0.0000 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -0.2830 1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 0.7200 2.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 1.9330 2.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 0.2000 3.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 -1.1060 3.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 -1.3600 4.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -2.0250 3.1090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 -1.6690 2.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 -2.4140 1.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -3.4050 3.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 -3.7390 4.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 -5.0730 5.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -6.0970 4.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -5.7980 3.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -4.4640 2.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 -7.7350 4.9220 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 -0.9380 -0.2720 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8170 -0.9080 -1.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4570 0.2340 -1.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2140 0.1850 -3.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3390 -1.0100 -3.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7110 -2.1760 -3.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9560 -2.1030 -2.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 -3.4800 -4.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 -4.4880 -3.5910 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0760 1.6810 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 1.1580 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 2.0640 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 0.8640 3.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -2.9710 5.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 -5.2980 6.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -6.5890 2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -4.2790 1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 -1.8490 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4090 1.1710 -1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7140 1.0800 -3.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9310 -1.0380 -4.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 -3.0050 -1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5230 -3.4720 -5.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 2 0 0 0 0 M CHG 1 27 -1 M END