MMs01241658 MOE2007 2D CORINA 3.40 0006 02.08.2006 31 31 0 0 0 0 0 0 0 0999 V2000 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2576 1.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7576 1.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5153 2.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0153 2.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9041 3.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3279 3.2989 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3190 1.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8897 1.3438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5273 0.9101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9012 1.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0668 3.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1095 0.6232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4834 1.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6490 2.7161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6917 0.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8029 -0.8719 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.5806 1.5447 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.9000 -0.5525 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0071 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0071 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2846 -1.1894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6252 -0.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3901 2.9885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7306 3.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5400 4.9143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3948 -0.2826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9770 -0.5694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 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 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 M END