MMs03131319 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 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 0.0077 -1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0470 -0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3106 -2.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6058 -1.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9087 -2.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9164 -3.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6212 -4.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3183 -3.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2874 -2.2567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5903 -1.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -0.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8855 -2.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1884 -1.5268 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.4835 -2.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6326 -3.7760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0982 -4.0954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8549 -2.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8570 -1.6804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1764 -0.2148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3475 -2.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3454 -3.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7188 -3.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5697 -1.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1041 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0062 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5996 -0.2866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9448 -1.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9587 -4.3245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6274 -5.6865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2822 -4.3486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2812 -3.4566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1094 -3.1853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6521 -3.1933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2888 0.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3195 0.1501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0899 -4.9435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7550 -3.7733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4656 -0.8771 0.0000 H 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 10 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 M END