IBS-ZINC05453464 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 -0.0840 1.4740 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.0550 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -0.5270 1.2210 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2490 -0.0990 2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -0.0740 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -2.0310 1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -2.7960 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -4.1760 0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -4.7940 1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -4.0350 2.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -2.6490 2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -1.8760 3.5260 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -2.3730 4.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 -3.5140 4.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 -1.5100 5.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 -2.4550 6.4610 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 -1.2400 7.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 -0.0190 7.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7810 -2.2380 8.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4610 0.6490 8.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3510 -0.2420 9.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2820 -1.4270 8.6590 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0720 0.1800 10.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8850 1.4790 10.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 2.3060 10.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3180 1.8860 9.2150 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7620 2.0630 12.3060 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 1.8720 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 1.8100 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 1.8290 0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 -0.4530 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -0.4100 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 1.0140 1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 -0.4100 2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 -0.5020 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 -2.3160 -0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 -4.7720 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 -5.8720 1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -4.5180 3.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -0.9840 3.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -1.1950 6.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 -0.6310 5.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7620 -0.4850 10.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 3.3180 10.6140 H 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 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 26 2 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 M END