PUBCHEM-ZINC01177354 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 -0.2450 1.3920 1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -0.1300 1.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -0.5050 3.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -0.7730 1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -0.5050 0.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2190 -0.9840 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 -0.6700 -1.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8260 -1.0970 -2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6960 -1.8360 -1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3180 -2.1690 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 -1.7400 0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9950 -2.2760 -1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0170 -2.5950 -2.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0650 -2.2440 -0.9200 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3650 -2.6520 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2900 -2.5670 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6980 -2.9590 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1790 -3.9980 0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5240 -4.3730 0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3910 -3.7040 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9270 -2.6640 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5820 -2.2900 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0480 -4.1650 -0.5150 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -9.7940 -3.2340 -2.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2300 -2.3760 -3.4160 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7430 1.8390 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 1.6780 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 1.8330 2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -0.5060 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -0.1430 3.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -1.5920 3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -0.0740 3.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -1.8580 1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 -0.3580 2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -0.0900 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1010 -0.8470 -3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9530 -2.7860 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 -2.0230 1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9030 -1.8830 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0160 -2.1970 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5060 -4.5300 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8810 -5.1870 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5960 -2.1430 -1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2230 -1.4840 -1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7220 -4.4950 -2.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 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 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 2 0 0 0 0 M CHG 1 25 -1 M END