MMs00029821 MOE2007 2D CORINA 3.40 0006 02.08.2006 78 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 0.4617 -1.4272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4215 -2.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4587 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8858 -3.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8877 -1.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1024 -1.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9475 0.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4719 -1.6242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6865 -0.7440 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6865 -1.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6884 0.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1156 1.2177 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2671 2.0662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9958 0.0030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4958 0.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2474 1.2992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2441 -1.2988 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0441 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0 0 0 0 0 0 20.0990 -1.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7073 -3.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5906 -2.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5809 2.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0485 2.9537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 0.3694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3694 1.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 -0.3694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6215 -2.6381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0864 -4.9950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8558 -4.0991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5958 -2.8178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4949 0.6320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4404 1.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6231 -2.3050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6318 -1.5100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0333 -2.2107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5722 -3.3671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1127 -4.3059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4477 -5.0789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5310 -5.0803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8679 -4.3107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4107 -3.3732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9526 -2.2156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3559 -1.5185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3626 -2.3160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4982 0.6156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5559 1.9160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3885 -2.8339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6990 -0.8763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7117 -3.9564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5398 -4.1509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9228 -0.9211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6684 -2.6016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4223 3.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5786 3.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9509 4.9005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0530 4.8902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 4 50 1 0 0 0 0 5 6 2 0 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