MMs01381250 MOE2007 2D CORINA 3.40 0006 02.08.2006 61 64 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 1.4898 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0838 1.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5736 1.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4695 0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8755 -0.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3857 -1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 1.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5781 3.1937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 1.5360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8493 0.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1570 -0.6885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4862 -0.5799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7778 2.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5389 0.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9708 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0736 1.2126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7446 2.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3126 3.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5056 0.7658 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.9523 2.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0588 -0.6661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9375 0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0403 1.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4723 0.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8014 -0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2333 -1.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3361 -0.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0071 1.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5751 1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1394 1.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1919 -0.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1394 -1.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8898 -0.8649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9161 1.8283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1535 2.7497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2294 2.8755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6459 2.2647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0432 -1.1311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8059 -2.0525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3134 -1.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 -2.1783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2505 -1.7566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8236 3.2804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3287 3.6188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3858 -0.5476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 0.5866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4199 -0.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9250 -0.5318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9432 2.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8976 3.8662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8635 4.1888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3584 3.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2008 -0.8517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7771 2.5066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9191 -1.3878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4965 -2.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4817 -0.3618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8893 2.2724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3119 3.0765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2098 2.1060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 61 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 15 61 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 61 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 2 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 28 29 2 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 M END