MMs02701685 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 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 0.0882 -1.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4291 -2.1697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1644 -2.3225 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5683 -1.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5047 -2.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0031 -2.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6796 -4.2186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2332 -3.8209 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5438 -4.9800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0614 -4.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3355 -4.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5073 -5.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2823 -6.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8854 -7.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2864 -6.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4541 -7.5665 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8509 -7.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2291 -9.0495 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.2080 -5.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6880 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2164 -7.2705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6964 -7.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2248 -8.9186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6479 -6.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9659 -0.3477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1979 0.0706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0706 1.1979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1979 -0.0706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5155 -3.0243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6248 -4.7098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7054 -8.3632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4039 -6.6777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0286 -5.8437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2211 -6.8223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6748 -4.6667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8674 -5.6454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4552 -8.1982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7203 -5.5940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4092 -5.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5756 -7.1164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1644 -1.1225 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 26 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 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 25 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END