MMs01791803 MOE2007 2D CORINA 3.40 0006 02.08.2006 80 84 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 1.4997 -0.0324 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7670 -1.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7329 -1.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5001 -0.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -0.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7674 1.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7324 1.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4651 2.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9649 2.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7322 1.2965 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3322 2.3357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9995 -0.0124 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3995 -1.0516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7668 -1.3013 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3668 -2.3406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2666 -1.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9993 0.0275 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2320 1.3165 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6320 0.2773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2208 2.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5991 1.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4622 0.3589 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9406 0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4601 -1.3019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8995 1.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3779 1.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3368 2.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8173 3.5657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8152 1.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7741 3.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2524 2.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7719 1.3974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2113 3.9581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6897 3.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6486 4.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1291 6.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0880 7.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5664 7.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0859 5.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1270 4.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9073 -1.0735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9384 -1.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0341 -2.6103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0259 1.1997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5999 0.0130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0259 -1.1997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -1.7367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5744 -2.5257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5088 -2.5402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8549 -1.7867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3812 2.2677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3321 2.9608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6577 3.7499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7408 3.7643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0870 3.0108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0740 -2.4658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -1.6767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2407 3.1368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 3.4916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9547 2.9988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1876 1.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3785 1.5563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3047 2.3882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4099 0.7753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8571 1.3096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7321 3.6535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1793 4.1878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7957 5.0838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2845 2.5749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7317 3.1092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9464 6.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6724 8.5443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3335 8.0876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2686 5.5547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0930 -1.9549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0027 -1.8934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6897 -2.0778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8741 -0.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6479 -3.6414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 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