MMs03089961 MOE2007 2D CORINA 3.40 0006 02.08.2006 77 80 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 1.2999 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3017 -2.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8980 -0.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4961 -0.7422 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4569 -1.3422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4979 -2.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0093 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9457 0.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9492 1.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4161 1.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1676 0.5168 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7676 1.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1653 -0.5991 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6305 -2.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0981 -2.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1005 -1.2194 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.4110 -2.3785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6352 0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6376 1.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1052 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5704 -0.4136 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.1704 0.6257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5681 -1.5295 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0333 -2.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5009 -3.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5032 -2.1497 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.8138 -3.3088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0380 -0.7237 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.1971 -1.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0404 0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5080 0.0821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9708 -2.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0356 -1.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0695 -1.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5988 1.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0399 0.5988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5988 -1.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2607 -1.3484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1017 -2.2499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3032 -3.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5017 -2.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8256 0.9214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3683 0.9233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1278 -1.6655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6705 -1.6637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4237 0.9245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9664 0.9264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2979 -2.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4993 -3.4422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6979 -2.2408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7492 1.4999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8224 2.6946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0439 2.9557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5117 2.3043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4424 -2.1936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5901 -3.2245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6499 -3.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1165 -2.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2654 2.4634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1456 2.2118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2933 1.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8452 -3.1239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9928 -4.1548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0527 -4.3788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5193 -3.9003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3430 -3.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7876 -3.0137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6227 -1.9636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2837 -0.6655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -0.7468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1928 -2.4429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8889 -2.5001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5751 1.8183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3770 2.7110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 41 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 3 44 1 0 0 0 0 4 5 1 0 0 0 0 4 45 1 0 0 0 0 4 46 1 0 0 0 0 5 6 1 0 0 0 0 5 47 1 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