PUBCHEM-ZINC00987653 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 0 0 0 0 0999 V2000 -0.7740 1.4660 -0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 0.0310 -0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -0.0770 0.7150 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0800 0.3400 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -1.5670 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 -2.1240 0.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -2.2200 1.5900 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -3.6360 1.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 -4.2420 2.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 -5.6950 2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6290 -6.0520 3.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 -7.3960 4.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -8.3880 3.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -8.0560 1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -6.7090 1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6880 -10.1290 3.7620 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -10.8110 2.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 -10.1230 4.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2240 -10.4810 3.9840 N 0 5 0 0 0 0 0 0 0 0 0 0 -3.6600 -10.3960 3.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 0.6480 0.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 1.1850 1.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 2.4430 2.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 3.0010 3.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 2.3080 3.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 1.0590 3.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 0.4990 2.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 2.1000 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 1.4960 -1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 1.8960 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 -0.5840 -0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -0.3560 -1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -1.7080 1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -4.1660 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 -3.7140 2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 -3.6690 2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2030 -4.1360 1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 -5.2840 4.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 -7.6650 5.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 -8.8340 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 -6.4580 0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 2.9870 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 3.9790 3.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 2.7450 4.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4190 0.5250 4.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5150 -0.4670 2.0390 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 21 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 M CHG 1 19 -1 M END