MMs02594553 MOE2007 2D CORINA 3.40 0006 02.08.2006 38 41 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 -0.7474 -1.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0051 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5051 -2.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2525 -1.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7204 -1.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8801 -3.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5110 -3.7079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2638 -4.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8331 -0.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2606 -1.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4724 -0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4695 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6877 -1.0537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2269 -2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7269 -2.4841 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1110 -3.6930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6025 -3.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2099 -2.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7014 -2.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5854 -3.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9780 -4.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4865 -4.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8621 -5.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3535 -5.6374 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6020 1.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9474 -1.3029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5929 -3.6385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 1.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9205 -3.6930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5813 0.5756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6251 -4.7902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5026 -1.1923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1873 -0.9048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7786 -3.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0006 -5.8423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2546 -7.1686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 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 31 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 25 38 2 0 0 0 0 M CHG 1 26 -1 M END