D0M5AR AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.669 0.847 0.732 1.00 0.00 C HETATM 2 C UNL 1 1.231 1.279 1.979 1.00 0.00 C HETATM 3 C UNL 1 2.092 1.368 3.079 1.00 0.00 C HETATM 4 C UNL 1 3.395 0.852 2.926 1.00 0.00 C HETATM 5 C UNL 1 3.782 0.230 1.719 1.00 0.00 C HETATM 6 C UNL 1 2.927 0.276 0.613 1.00 0.00 C HETATM 7 N UNL 1 1.700 2.007 4.310 1.00 0.00 N HETATM 8 C UNL 1 0.436 2.398 4.807 1.00 0.00 C HETATM 9 C UNL 1 0.717 3.091 5.977 1.00 0.00 C HETATM 10 C UNL 1 2.105 3.117 6.129 1.00 0.00 C HETATM 11 N UNL 1 2.703 2.414 5.164 1.00 0.00 N HETATM 12 C UNL 1 -0.932 2.180 4.289 1.00 0.00 C HETATM 13 C UNL 1 2.865 3.730 7.268 1.00 0.00 C HETATM 14 C UNL 1 3.345 5.178 7.067 1.00 0.00 C HETATM 15 C UNL 1 2.263 6.264 6.860 1.00 0.00 C HETATM 16 C UNL 1 -1.371 0.978 3.721 1.00 0.00 C HETATM 17 C UNL 1 -2.661 0.865 3.180 1.00 0.00 C HETATM 18 C UNL 1 -3.575 1.904 3.333 1.00 0.00 C HETATM 19 C UNL 1 -3.202 3.064 3.998 1.00 0.00 C HETATM 20 C UNL 1 -1.884 3.209 4.443 1.00 0.00 C HETATM 21 BR UNL 1 -5.334 1.725 2.668 1.00 0.00 Br HETATM 22 C UNL 1 1.275 6.361 8.026 1.00 0.00 C HETATM 23 C UNL 1 2.927 7.631 6.661 1.00 0.00 C HETATM 24 S UNL 1 3.295 -0.520 -0.936 1.00 0.00 S HETATM 25 O UNL 1 4.248 -1.601 -0.650 1.00 0.00 O HETATM 26 O UNL 1 2.082 -0.762 -1.660 1.00 0.00 O HETATM 27 N UNL 1 4.140 0.651 -1.734 1.00 0.00 N HETATM 28 H UNL 1 1.009 0.922 -0.123 1.00 0.00 H HETATM 29 H UNL 1 0.181 1.534 2.023 1.00 0.00 H HETATM 30 H UNL 1 4.101 0.868 3.753 1.00 0.00 H HETATM 31 H UNL 1 4.727 -0.296 1.667 1.00 0.00 H HETATM 32 H UNL 1 -0.013 3.523 6.649 1.00 0.00 H HETATM 33 H UNL 1 3.748 3.108 7.473 1.00 0.00 H HETATM 34 H UNL 1 2.253 3.674 8.176 1.00 0.00 H HETATM 35 H UNL 1 4.036 5.205 6.215 1.00 0.00 H HETATM 36 H UNL 1 3.939 5.452 7.950 1.00 0.00 H HETATM 37 H UNL 1 1.701 6.031 5.949 1.00 0.00 H HETATM 38 H UNL 1 -0.708 0.119 3.653 1.00 0.00 H HETATM 39 H UNL 1 -2.943 -0.042 2.652 1.00 0.00 H HETATM 40 H UNL 1 -3.919 3.861 4.175 1.00 0.00 H HETATM 41 H UNL 1 -1.614 4.143 4.933 1.00 0.00 H HETATM 42 H UNL 1 1.789 6.595 8.964 1.00 0.00 H HETATM 43 H UNL 1 0.718 5.429 8.164 1.00 0.00 H HETATM 44 H UNL 1 0.543 7.153 7.840 1.00 0.00 H HETATM 45 H UNL 1 3.486 7.938 7.552 1.00 0.00 H HETATM 46 H UNL 1 2.177 8.402 6.456 1.00 0.00 H HETATM 47 H UNL 1 3.623 7.612 5.815 1.00 0.00 H HETATM 48 H UNL 1 5.101 0.350 -1.897 1.00 0.00 H HETATM 49 H UNL 1 3.633 0.914 -2.574 1.00 0.00 H CONECT 1 2 6 28 CONECT 2 1 3 29 CONECT 3 2 4 7 CONECT 4 3 5 30 CONECT 5 4 6 31 CONECT 6 5 1 24 CONECT 7 3 8 11 CONECT 8 7 9 12 CONECT 9 8 10 32 CONECT 10 9 11 13 CONECT 11 10 7 CONECT 12 8 16 20 CONECT 13 10 14 33 34 CONECT 14 13 15 35 36 CONECT 15 14 22 23 37 CONECT 16 12 17 38 CONECT 17 16 18 39 CONECT 18 17 19 21 CONECT 19 18 20 40 CONECT 20 19 12 41 CONECT 21 18 CONECT 22 15 42 43 44 CONECT 23 15 45 46 47 CONECT 24 6 25 26 27 CONECT 25 24 CONECT 26 24 CONECT 27 24 48 49 CONECT 28 1 CONECT 29 2 CONECT 30 4 CONECT 31 5 CONECT 32 9 CONECT 33 13 CONECT 34 13 CONECT 35 14 CONECT 36 14 CONECT 37 15 CONECT 38 16 CONECT 39 17 CONECT 40 19 CONECT 41 20 CONECT 42 22 CONECT 43 22 CONECT 44 22 CONECT 45 23 CONECT 46 23 CONECT 47 23 CONECT 48 27 CONECT 49 27 MASTER 0 0 0 0 0 0 0 0 49 0 49 0 END M END $$$$