PUBCHEM-ZINC01140196 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 0 0 0 0 0 0999 V2000 1.3410 0.0690 1.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -1.1340 0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -2.2200 1.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -1.0040 -0.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.3270 -1.1820 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -1.8610 -2.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 -3.3530 -0.9390 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 -2.8690 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6970 -2.3660 -0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8830 -2.7890 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8660 -3.7220 0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 -4.2250 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -3.8020 0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0660 -4.1520 1.2560 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1090 -4.4700 2.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1320 -4.2950 3.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3460 -5.0330 3.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4350 -5.3540 2.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5920 -5.8870 2.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6790 -6.0970 4.2520 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6770 -5.8160 5.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4650 -5.2800 4.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4160 -4.9930 5.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5670 -5.2380 6.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7540 -5.7700 7.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7990 -6.0500 6.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7450 -6.2240 2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9140 -6.7410 2.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8450 -6.9730 1.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4490 -6.6510 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8130 -6.0070 0.3530 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.4100 -6.8340 -1.1280 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 0.1700 1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 0.9640 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 -0.0560 2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -0.1360 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 -1.6410 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8230 -2.3960 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 -4.9500 1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 -4.1960 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8660 -4.2210 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3970 -5.1950 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4900 -4.5800 5.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 -5.0160 7.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8500 -5.9560 8.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7130 -6.4630 6.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1030 -6.9560 3.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8210 -7.3840 1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 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 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 M END