MMs01169589 MOE2007 2D CORINA 3.40 0006 02.08.2006 45 47 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 0.7441 -1.3025 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3441 -0.2632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 -1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9881 -2.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3761 -1.2381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8048 -0.7811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8116 0.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3872 1.1889 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0292 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0967 3.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4642 3.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6142 1.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3967 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6818 4.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0493 3.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0119 -2.5980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5119 -2.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2559 -1.2887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2678 -3.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5237 -5.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2797 -6.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7796 -6.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5237 -5.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7678 -3.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5118 -2.5775 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 0.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5952 1.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 -0.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4047 1.0283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7852 3.5806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9767 5.1576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7082 1.3617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 -0.2153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5562 2.5130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1433 3.1139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5424 4.7010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 -3.6400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3237 -5.1947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6844 -7.5268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3844 -7.5145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7237 -5.1701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 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 33 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 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 M END