MMs00453055 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 45 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 1.5000 -0.0016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2514 1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5028 2.5964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7514 1.2950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1514 0.2557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5028 2.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 3.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 3.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5056 5.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 6.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 6.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5056 5.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7514 1.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7486 -1.3064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2486 -1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9972 -2.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4972 -2.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2486 -1.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7486 -1.3129 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.7502 0.1871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7470 -2.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2486 -1.3145 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 14.8475 -2.3544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0013 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4212 1.8208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4229 3.3635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9537 3.3754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3056 5.1958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6582 7.5326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3582 7.5297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7056 5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8989 -1.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1475 -2.3449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3960 -3.6464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0960 -3.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1011 1.0272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4011 1.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 27 -1 M END