MMs02477740 MOE2007 2D CORINA 3.40 0006 02.08.2006 79 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 1.3033 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9014 0.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1874 -1.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4821 -2.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7855 -1.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4994 0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0802 -2.3023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3835 -1.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 -0.0599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6955 0.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9902 -0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9815 -1.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6782 -2.3173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2762 -2.3323 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.1106 0.9224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5084 2.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0158 2.1481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5760 0.6021 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.2655 1.7612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6965 1.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9912 0.8419 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.0305 0.2419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6709 -0.6235 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.0709 -1.6627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1782 -0.7717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6682 -1.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1964 -3.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1937 -4.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7220 -5.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7192 -6.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1882 -6.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6599 -5.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6627 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1855 -7.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3650 1.4441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5304 2.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9042 3.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0696 5.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8612 5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4874 5.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3220 3.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0266 7.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 1.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0427 -0.5940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -1.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5373 1.6662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 1.6573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8214 -0.9298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3641 -0.9386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1353 1.6512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1448 -2.1239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4752 -3.4874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8368 0.5491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5063 1.9126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0732 -3.5023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1144 3.3320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8094 2.4075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4074 2.5661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4124 -0.8026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7244 -2.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5468 -5.9550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3418 -7.9718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8351 -4.8627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0401 -2.8458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2891 -8.4476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9833 -8.5462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0819 -6.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8710 2.8263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1687 5.5098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5206 6.0254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2229 3.3419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2192 7.2752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1589 8.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8339 7.5399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 2 50 1 0 0 0 0 2 51 1 0 0 0 0 3 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