IFLAB-ZINC04079258 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.1140 1.5250 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -0.0050 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -0.4780 1.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 -1.8150 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -2.5600 0.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 -2.3520 2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -3.6930 2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -3.9670 3.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 -2.8690 4.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -1.4080 3.6840 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 -2.9010 5.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8350 -1.7100 6.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5210 -1.7470 7.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 -2.9620 8.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -4.1460 7.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 -4.1230 6.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 -4.6910 1.8340 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -5.9840 2.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 -6.2890 3.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 -7.0310 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 -8.3710 1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -9.3440 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -8.9930 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -7.6650 -0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -6.6840 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 -10.2230 -1.7860 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 1.8840 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 1.8850 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 1.8950 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -0.3640 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 -0.3760 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 -4.9740 4.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5840 -0.7610 5.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8070 -0.8260 8.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 -2.9850 9.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 -5.0910 8.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5030 -5.0490 5.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -4.4540 1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 -8.6460 2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 -10.3810 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 -7.3980 -1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -5.6490 -0.2330 H 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 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 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 17 1 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 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 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END