MMs01266596 MOE2007 2D CORINA 3.40 0006 02.08.2006 49 52 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 0.0122 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3173 -2.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6102 -1.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2929 0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8909 0.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2082 -1.4577 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2082 -2.6577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9153 -2.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5133 -2.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5254 -3.6971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8062 -1.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1112 -2.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4041 -1.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3920 0.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7092 -2.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0021 -1.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3774 -1.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3720 -0.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6114 0.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1468 0.0986 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.3509 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8508 1.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6113 0.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8719 -0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7011 -3.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1314 -3.9099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5946 -4.4707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0441 0.5915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0221 -2.1084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 -3.4393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2832 1.9605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5972 1.1731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3794 -0.1566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3474 -3.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8900 -3.0890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7190 -3.3549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2199 2.1287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5496 2.9109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6328 2.9197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9751 2.1592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5243 1.2255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5368 -0.3171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6732 -2.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0029 -1.2596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4504 -4.1092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8536 -5.6424 0.0000 H 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 28 1 0 0 0 0 21 22 2 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 M END