MMs01949455 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 41 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 -0.7441 -1.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0119 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7322 -3.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2322 -3.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9881 -2.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 -1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4881 -2.6186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2440 -1.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -0.0206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7440 -1.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4999 -0.0343 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.9999 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8760 -1.2587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5215 2.3113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3047 -0.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3116 0.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8871 1.1683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.6140 1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9096 0.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9028 -0.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6003 -1.5576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.2121 1.4305 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.9762 -5.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2203 -6.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 -0.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5952 1.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 0.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2119 -2.5926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1274 -4.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8488 -0.2728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0833 -3.6606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5302 -2.5107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8697 -1.7455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6195 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9392 -1.4183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2568 -7.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6155 -7.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1838 -5.9007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 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 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 22 2 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 24 25 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 M END