MMs01232243 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 -1.5000 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2549 1.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5098 2.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0098 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7451 1.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2451 1.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2450 1.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2549 -1.2791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7549 -1.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6411 -2.4836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0660 -2.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0603 -0.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6319 -0.0566 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7549 1.2848 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 -1.0370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -1.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1138 3.6293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5862 3.6396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8739 -0.4033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2128 -1.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6588 -2.3206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3199 -3.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2589 -1.8848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -0.6356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3053 0.6600 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 18 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 23 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 24 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 M END