MMs03335531 MOE2007 2D CORINA 3.40 0006 02.08.2006 35 37 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 -1.2955 0.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 0.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6051 -1.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3096 -2.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2885 -2.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 -1.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9584 -2.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -3.5974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9674 -1.0187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2235 0.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7548 -0.0211 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8400 1.6513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8936 0.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1961 0.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2031 -1.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4916 0.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4846 2.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7801 3.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0826 2.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0896 0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7941 0.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3781 3.0487 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 0.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2899 1.9561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6471 -2.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3152 -3.4439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2828 -3.4561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0340 1.7711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1392 2.6254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4425 2.8756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7744 4.2365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1317 0.1976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7998 -1.1634 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 M END