MMs01406852 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 1.0469 -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 1.3183 -3.7433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6058 -1.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9086 -2.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2038 -1.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5067 -2.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4912 0.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2346 2.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9912 0.7911 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 -1.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7548 -0.0224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2236 0.2819 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9966 1.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4262 1.1785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9669 -1.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9575 -2.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4137 -3.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8793 -3.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8887 -2.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4325 -1.3404 0.0000 C 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 3.1420 -3.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6847 -3.1452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1538 0.6214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6427 1.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3113 2.8529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1498 2.8623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2057 -0.3896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1167 1.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2813 -3.4566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6061 -4.4471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2442 -5.0220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0612 -3.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2400 -0.4527 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 14 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 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 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 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 M END