MMs01788445 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 56 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 -1.3012 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5937 1.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2924 2.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0044 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8905 2.2614 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8513 2.8614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1917 1.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4886 2.2690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7898 1.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 0.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0866 2.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0823 3.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3791 4.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6867 5.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8014 7.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4075 8.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8989 8.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7841 7.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1780 6.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7921 4.7911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.9666 4.5451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6803 3.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6847 2.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3879 1.5304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.9859 1.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2828 2.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5840 1.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5884 0.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2916 -0.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9903 0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2959 -2.2082 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.8861 3.7614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -0.6030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3047 -1.9462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6390 -0.5894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 3.4538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0454 2.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4231 0.5937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9658 0.5982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4851 3.4690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0413 4.3735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6084 7.0805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6994 9.5503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3837 9.8404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9771 7.6607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2793 3.4918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6215 2.1486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6294 -0.5513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9529 -0.5650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9236 4.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 34 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 26 2 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 2 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 32 51 1 0 0 0 0 34 52 1 0 0 0 0 M END