MMs00556275 MOE2007 2D CORINA 3.40 0006 02.08.2006 28 29 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 -1.3035 -0.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3124 -2.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0179 -2.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2856 -2.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2945 -0.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0155 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8926 -0.7732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2050 1.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5085 2.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8030 1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4906 -0.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0886 -0.8041 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.3921 -0.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0797 -2.3041 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.1065 2.1958 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.6159 -2.9845 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6248 -4.4844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9104 -2.2267 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0071 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3391 -0.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -4.1999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3213 -2.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1694 2.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5156 3.4113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4835 -1.9886 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M CHG 1 19 1 M CHG 1 21 -1 M END