IFLAB-ZINC04839121 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 0.1920 1.3520 -1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -0.0340 -1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -0.7070 -0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 0.0240 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 1.4210 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 2.0830 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 3.5470 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 4.0740 0.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 4.2590 -1.2910 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 5.6950 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 6.0840 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 7.9370 1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 9.4550 1.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 10.0790 0.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 9.8220 -0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 8.3240 -0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9640 -0.7010 0.4860 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2330 -1.9190 -0.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9620 0.3520 0.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 -1.0840 2.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 -2.2240 2.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 -2.0570 3.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -0.5500 4.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 -0.0260 3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 -2.4180 -0.9810 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 1.8260 -1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 -0.5940 -1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 2.0050 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 3.7910 -2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 6.1430 -1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 6.0410 -2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 5.7260 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 5.6650 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 7.4610 2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 7.5200 1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 9.7100 2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 9.8690 1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 10.3440 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 10.2470 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 7.9080 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 8.1320 -1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 -2.1490 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1960 -3.1790 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 -2.5820 4.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 -2.4310 4.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 -0.2120 3.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 -0.2090 5.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4040 0.0840 3.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 0.9410 2.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 7.5890 0.1930 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2560 7.9410 0.2300 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 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 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 50 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 50 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 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 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 50 1 M END