MMs02441847 MOE2007 2D CORINA 3.40 0006 02.08.2006 84 86 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 1.2974 0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8955 0.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0112 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2354 -0.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1994 -1.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9019 -2.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6013 -1.4944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9052 -3.7416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6078 -4.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 -5.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4936 0.7640 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5328 1.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4903 2.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1865 4.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6865 4.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6865 4.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1832 6.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8826 6.7584 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8434 7.3584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8794 8.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5852 6.0056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7974 -1.4832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0916 0.7696 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4633 0.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4646 1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9646 1.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7118 2.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2118 2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9590 3.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2062 5.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7062 5.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9590 3.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4590 3.8774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7118 2.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2452 2.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8923 2.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5916 3.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2942 2.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6022 1.0379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 -0.6022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6022 -1.0379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9108 1.2116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0668 1.6737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8955 -0.4416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3807 -1.2779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6122 -2.6156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1949 -3.3677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4264 -4.7053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -5.9970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6136 -7.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8110 -5.9918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0814 2.1611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6943 2.8282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6877 3.9144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8865 4.5170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6852 5.1144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6839 5.7079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4865 4.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 3.3079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7743 5.9082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5912 7.1397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0794 8.2609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8768 9.4584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6794 8.2558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5446 6.6033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8655 -0.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4356 -0.5408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5668 0.2446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8140 1.5484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1590 3.8896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8039 6.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1039 6.2192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6452 2.2604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1172 3.4548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3610 3.9265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8183 3.9232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 3.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7752 1.9517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8964 1.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1897 3.0112 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