MMs00097371 MOE2007 2D CORINA 3.40 0006 02.08.2006 33 33 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 -1.2964 -0.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.0092 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5981 -1.2092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6034 1.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8944 -0.7638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1961 -0.0184 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.9415 -1.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4507 1.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4978 0.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5031 2.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8048 2.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1012 2.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0959 0.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3922 -0.0367 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -10.4028 2.9632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4081 4.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 -1.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0371 0.6037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6037 1.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5218 -1.6711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0645 -1.6766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4034 1.4950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6076 2.6908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8034 1.4866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8902 -1.9638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4660 2.8307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8090 4.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7899 -1.2275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2082 4.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4124 5.6632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6081 4.4590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 30 1 0 0 0 0 17 18 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 M END