MMs01958138 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 58 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 1.2926 -0.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2798 -2.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6108 1.4778 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6108 2.6778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3181 2.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3309 3.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9161 2.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5141 2.1946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 1.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1121 2.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6120 2.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3731 3.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6341 4.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1342 4.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3732 3.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0993 0.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7939 -0.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7812 -1.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0738 -2.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3792 -1.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3919 -0.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0610 -3.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3536 -4.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6088 1.0341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0341 0.6088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6088 -1.0341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2534 -1.3610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0799 -2.2508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2696 -3.4609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4798 -2.2712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9988 -1.1532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7815 0.1762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9263 3.4167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5243 3.3946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4171 0.9773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5702 0.5078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3936 0.9798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7361 1.7397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2857 2.6732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2989 4.2158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3526 5.9505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0101 5.1905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4474 2.7144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4605 4.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2769 0.2381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7369 -2.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4132 -2.1972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4362 0.5027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7448 -5.6224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3877 -5.1971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9624 -3.5542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0128 1.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0213 2.1088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 56 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 56 57 1 0 0 0 0 M END