MMs01799636 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 56 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 1.2948 0.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2046 -1.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9098 -2.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6065 -1.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9183 -3.7279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 -4.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4908 0.7867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8026 -1.4559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0889 0.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 0.0588 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6869 0.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8353 2.3088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3007 2.6290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0580 1.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0607 0.2138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3808 -1.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2718 -2.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5920 -3.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0212 -4.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1302 -3.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8100 -1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3413 -5.6479 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.5507 1.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1685 -0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6612 -0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5360 0.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9181 2.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4255 2.4043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6059 1.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0358 -0.6059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6059 -1.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8860 1.9720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2472 -2.0647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5707 -2.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0176 -3.4494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5877 -5.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2294 -5.5210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4841 1.9867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3123 1.7163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8550 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1285 -1.8973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7048 -4.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2735 -3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2536 -1.3031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8186 -0.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1555 -1.4228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7301 0.7705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6180 3.2308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 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 37 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 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 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 32 2 0 0 0 0 31 52 1 0 0 0 0 32 33 1 0 0 0 0 32 53 1 0 0 0 0 M END