MMs00683507 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 1.2953 -0.7565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2878 -2.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0225 -4.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2728 -5.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5756 -4.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5831 -3.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8858 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8933 -0.7695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1811 -3.0259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4839 -2.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4914 -0.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0894 -0.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0819 -2.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7791 -3.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5062 -2.7660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.3939 -1.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5183 -0.3390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8939 -1.5644 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.6374 -2.8672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1374 -2.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8938 -1.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8809 -4.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3808 -4.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6052 1.0362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0362 0.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6052 -1.0362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0512 -2.3948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0647 -5.0947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2668 -6.4564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6118 -5.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1751 -4.2259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4551 -0.1773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8001 1.1611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7732 -4.2389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5077 -3.2720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8398 -4.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3748 -5.3849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5808 -4.1909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3868 -2.9850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 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 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END