IFLAB-ZINC04139675 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 0.2300 1.8340 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 0.3160 -0.1000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0000 0.0690 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -0.1850 1.1940 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5080 -1.2510 1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 0.0470 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1050 -0.8790 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4150 -0.4330 0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5670 0.8570 1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9920 1.5830 1.4480 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 0.0860 3.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 0.9100 4.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 0.7940 4.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 1.2310 3.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 0.4100 2.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -0.3230 -1.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -0.4540 -2.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 -0.0420 -2.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -1.0430 -3.4670 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -1.2800 -4.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -1.2160 -5.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 -1.4500 -7.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -1.7480 -6.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 -1.8120 -5.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 -1.5840 -4.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8540 -2.1860 -5.6420 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 2.0820 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 2.1910 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 2.3100 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 -1.9010 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2510 -1.0790 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5120 1.3760 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 0.2180 3.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -0.9670 3.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 0.5380 5.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 1.9560 4.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 1.0900 3.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 2.2860 3.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 -0.6380 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 0.7770 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 -0.6520 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -1.3020 -3.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -0.9820 -5.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -1.4000 -7.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -1.9310 -7.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 -1.6390 -3.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 0.5430 2.3370 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 47 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 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 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 46 1 0 0 0 0 M END