MMs01740857 MOE2007 2D CORINA 3.40 0006 02.08.2006 37 40 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 1.5000 0.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2601 -1.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5202 -2.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2803 -3.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7803 -3.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5201 -2.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 -1.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9897 -2.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1581 -4.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7926 -4.9746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5523 -6.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5332 -4.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7016 -6.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7398 -4.0622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5714 -2.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1963 -1.9723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1148 -4.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3214 -3.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1530 -2.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3596 -1.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7347 -1.9883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9031 -3.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6965 -4.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0094 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0094 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3202 -2.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6884 -4.9233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3519 -0.2259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5367 -1.8588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4515 -5.6616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9845 -5.4884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0530 -1.8004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2249 -0.1964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0031 -3.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8312 -5.5623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 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 23 24 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 M END