CHEMBRIDGE-ZINC00469862 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 31 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -0.7500 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -0.3220 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -2.1790 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -3.3700 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -4.5770 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 -4.6010 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -3.4040 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -2.1960 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 -0.7800 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 -0.3830 0.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 -5.8960 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -5.9180 -0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -7.0500 -0.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -8.2660 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -9.4300 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5430 -10.4840 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 -10.1980 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 -8.4450 -0.0100 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -3.3560 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -5.5040 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 -3.4220 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -7.0320 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -11.4970 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -10.9150 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 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 27 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 M END