MMs00831746 MOE2007 2D CORINA 3.40 0006 02.08.2006 29 31 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 0.7468 -1.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2468 -1.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9935 -2.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2403 -3.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7403 -3.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0065 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5065 -2.5943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2532 -1.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7532 -1.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7532 -1.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0064 -2.5832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5064 -2.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7468 1.3158 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.2732 -5.3244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4846 -6.2091 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7003 -5.3304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0407 0.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5974 1.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0407 -0.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8493 -0.2669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1935 -2.6085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1090 -3.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8974 1.0489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9532 -1.2793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9090 -3.6276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 20 2 0 0 0 0 6 7 1 0 0 0 0 6 18 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 16 29 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 M END