IBS-ZINC02150836 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4650 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7160 -0.5210 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -1.9640 1.3690 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8720 -2.6700 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -1.9790 0.6720 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9640 -2.2270 1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -0.5430 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -2.9150 -0.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -2.2980 2.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 -1.4740 3.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 -0.5030 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8420 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8260 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8160 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 -0.5220 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 0.0780 2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 0.0520 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 -0.5620 -0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 -2.9680 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 -0.1460 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -1.5920 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -0.1390 -2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 -3.5100 3.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 -3.6770 4.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 24 25 1 0 0 0 0 M CHG 1 2 1 M END