MMs02515759 MOE2007 2D CORINA 3.40 0006 02.08.2006 91 94 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 0.7520 1.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5459 2.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0499 0.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5039 2.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0039 2.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7520 1.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7559 3.8914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2559 3.8892 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4074 4.7377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0079 5.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2598 6.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7598 6.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0118 7.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7638 9.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2638 9.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0118 7.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0039 2.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5039 2.5867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2520 1.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2559 3.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0304 5.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0480 6.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6664 5.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7948 4.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6818 3.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7980 4.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9914 1.9513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4173 1.4856 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5688 0.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5335 2.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9594 2.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0756 3.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5015 2.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8112 1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6949 0.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2691 0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7269 0.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1528 -0.4478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6107 -0.9841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9204 -2.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8041 -3.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1138 -4.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9975 -5.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5717 -5.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2620 -3.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3782 -2.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5192 0.3008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6016 -1.0383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5192 -0.3008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0556 3.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5843 2.6514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8467 1.5307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7491 0.0268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0882 -0.0556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6514 1.5843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1575 4.9316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4669 4.8007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4681 5.5720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1583 5.4512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8118 7.7915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1653 10.1277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8653 10.1236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2118 7.7833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2118 0.6881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8504 0.2464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2921 1.8850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9877 4.4456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8501 6.0456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0320 6.9896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4678 7.3532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3173 6.8668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4881 5.4916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6468 3.0334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5951 4.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0984 1.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5890 3.2278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0985 3.5463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8279 4.1981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3945 3.3598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9519 0.7180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9427 -1.0856 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