IFLAB-ZINC04139243 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 0.0710 1.5390 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 0.0120 -0.0840 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8600 -0.4010 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -0.5090 1.1730 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2640 -0.2380 2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 0.1020 1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 1.1360 2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 1.5250 1.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 0.8060 1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 -0.4440 0.3900 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 -2.5050 2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8270 -4.0210 2.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -4.6120 1.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 -4.1160 0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 -2.6010 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 -0.3960 -1.2700 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -0.5130 -2.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -0.2800 -2.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -0.9290 -3.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 -1.1620 -3.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 -1.0460 -4.8590 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -1.4540 -6.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -1.5080 -7.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -0.5120 -8.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 -0.5610 -9.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -1.6060 -9.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4710 -2.6030 -8.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -2.5570 -7.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 -3.8120 -6.1760 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 1.9560 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 1.9040 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 1.8460 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 1.6330 2.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2720 2.3480 2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6770 0.9650 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -2.2840 3.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 -2.0440 2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 -4.2400 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2990 -4.4280 3.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -4.3370 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -4.5920 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 -2.2100 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -2.3820 1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 -0.5820 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 -0.8600 -4.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 -0.7330 -6.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 -2.4390 -5.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 0.3050 -8.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 0.2180 -10.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 -1.6440 -10.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1700 -3.4190 -8.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -1.9710 1.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 52 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 33 1 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 52 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 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 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 M END