MMs00516465 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 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 1.4803 0.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 1.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 1.3557 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8794 -0.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5465 -0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3197 -2.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4903 -3.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9221 -2.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6953 -4.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2195 -0.7985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4732 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3868 1.5225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8133 -0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0669 0.1746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4070 -0.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4934 -1.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8335 -2.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0872 -1.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0008 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6607 0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2545 0.4739 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4662 2.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 1.1842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1842 -0.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -1.1842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4909 -4.1415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5138 -5.5092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8815 -4.5045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2886 -1.9966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0961 -1.6111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6363 -1.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4905 -2.6557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9026 -3.8688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1592 -2.3863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5916 1.5223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5325 3.4658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9158 3.9818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3999 2.3650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 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 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M END