MMs02488275 MOE2007 2D CORINA 3.40 0006 02.08.2006 82 85 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 1.2981 0.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8962 0.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4943 0.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7961 -1.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4979 -2.2421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0960 -2.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3941 -1.4873 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.0835 -2.6464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4525 0.0119 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1419 1.1710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6420 0.9269 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.3976 2.4080 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0870 3.5671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0537 3.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0859 4.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5618 4.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1726 6.2161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3490 3.5691 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.9490 4.6084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8459 3.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7875 2.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2816 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9513 0.1882 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.9905 -0.4118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9453 -1.3127 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.1044 -1.6233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7235 -2.1832 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.0883 -2.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5930 -4.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5817 -2.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0348 -3.5158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8445 -4.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1558 -6.1110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3429 -4.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2666 2.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7902 3.9505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2694 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7929 5.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2249 3.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9441 5.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9047 1.7366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1199 0.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6013 1.0385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0385 -0.6013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6013 -1.0385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5257 1.6699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0683 1.6718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8278 -0.9170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3705 -0.9151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8947 1.9547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1976 -1.1937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4928 1.9579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3135 0.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0270 2.4549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6320 4.6444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9373 3.9626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1864 0.0945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4603 -3.8256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1968 -5.3545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1593 -4.4199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4691 -4.1413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7764 -3.0591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6942 -1.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3988 -5.9073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5416 -4.6527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2870 -3.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2576 1.3449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4468 2.3276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2999 2.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9893 2.1186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1499 3.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7224 6.4623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0307 6.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1659 4.6354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8488 2.9353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6709 1.7666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0539 1.2515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5690 -0.3655 0.0000 H 0 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