MMs02486086 MOE2007 2D CORINA 3.40 0006 02.08.2006 77 82 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 1.3043 -0.7408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3149 -2.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9023 -0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 1.5367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8811 2.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5874 1.5184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3178 -0.9590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7174 -2.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2246 -2.1874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7828 -0.6367 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4722 -1.7959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9046 -1.6325 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7531 -2.4811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1983 -0.8733 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0468 -0.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8760 0.5916 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2760 1.6309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3832 0.7379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8718 1.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3982 3.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5729 -1.4737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7801 -0.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6128 0.9071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1547 -1.1839 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.3062 -2.0324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3620 -0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1946 1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4019 2.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2346 3.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8599 4.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6527 3.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8200 1.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6926 5.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8999 6.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3221 -2.6745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6967 -3.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9040 -2.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7366 -0.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9439 -0.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3185 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4858 -2.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2786 -2.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9552 -2.3963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6960 -1.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6844 0.0156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7584 -3.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5926 1.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0435 0.5926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5926 -1.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -2.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3234 -3.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5149 -2.2323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8726 3.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3248 -3.3686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6173 0.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9273 2.2843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1948 4.0341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7068 -2.6662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8957 -1.3684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5131 0.0453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5016 1.6069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2004 4.2901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5530 3.7683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3371 1.4413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6120 5.5934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8657 7.2714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1877 7.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8306 -4.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1868 -0.6539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8100 1.1887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4124 -4.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6718 -1.7904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4926 -0.1945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6656 -3.6212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 50 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 53 1 0 0 0 0 3 54 1 0 0 0 0 3 55 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 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