D01EKS AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.121 -1.000 1.748 1.00 0.00 C HETATM 2 O UNL 1 0.905 -0.139 2.603 1.00 0.00 O HETATM 3 N UNL 1 0.064 -1.448 0.875 1.00 0.00 N HETATM 4 C UNL 1 -1.169 -0.635 0.698 1.00 0.00 C HETATM 5 C UNL 1 -2.424 -1.262 -0.029 1.00 0.00 C HETATM 6 N UNL 1 -2.233 -2.505 -0.780 1.00 0.00 N HETATM 7 C UNL 1 -0.862 -2.932 -1.027 1.00 0.00 C HETATM 8 C UNL 1 0.297 -2.479 -0.114 1.00 0.00 C HETATM 9 C UNL 1 -3.190 -3.113 -1.621 1.00 0.00 C HETATM 10 O UNL 1 -2.851 -4.026 -2.393 1.00 0.00 O HETATM 11 C UNL 1 -4.677 -2.703 -1.650 1.00 0.00 C HETATM 12 N UNL 1 -5.106 -2.233 -2.973 1.00 0.00 N HETATM 13 C UNL 1 -5.241 -0.898 -3.269 1.00 0.00 C HETATM 14 C UNL 1 -5.699 -0.480 -4.653 1.00 0.00 C HETATM 15 O UNL 1 -5.022 -0.046 -2.409 1.00 0.00 O HETATM 16 BR UNL 1 -5.809 -1.946 -5.912 1.00 0.00 Br HETATM 17 C UNL 1 5.113 -2.144 3.073 1.00 0.00 C HETATM 18 C UNL 1 5.546 -3.205 2.131 1.00 0.00 C HETATM 19 C UNL 1 4.967 -2.209 1.155 1.00 0.00 C HETATM 20 C UNL 1 3.723 -0.905 2.075 1.00 0.00 C HETATM 21 C UNL 1 2.593 -1.548 1.490 1.00 0.00 C HETATM 22 C UNL 1 3.279 -2.547 2.744 1.00 0.00 C HETATM 23 C UNL 1 5.805 -0.512 2.237 1.00 0.00 C HETATM 24 C UNL 1 3.260 -0.582 0.270 1.00 0.00 C HETATM 25 C UNL 1 5.057 -0.373 0.435 1.00 0.00 C HETATM 26 C UNL 1 5.270 -1.733 -0.215 1.00 0.00 C HETATM 27 H UNL 1 -0.861 0.236 0.104 1.00 0.00 H HETATM 28 H UNL 1 -1.483 -0.228 1.667 1.00 0.00 H HETATM 29 H UNL 1 -2.832 -0.518 -0.729 1.00 0.00 H HETATM 30 H UNL 1 -3.228 -1.440 0.698 1.00 0.00 H HETATM 31 H UNL 1 -0.634 -2.620 -2.054 1.00 0.00 H HETATM 32 H UNL 1 -0.858 -4.029 -1.041 1.00 0.00 H HETATM 33 H UNL 1 0.688 -3.348 0.427 1.00 0.00 H HETATM 34 H UNL 1 1.102 -2.133 -0.767 1.00 0.00 H HETATM 35 H UNL 1 -4.941 -1.980 -0.874 1.00 0.00 H HETATM 36 H UNL 1 -5.263 -3.610 -1.470 1.00 0.00 H HETATM 37 H UNL 1 -5.162 -2.908 -3.733 1.00 0.00 H HETATM 38 H UNL 1 -4.984 0.238 -5.065 1.00 0.00 H HETATM 39 H UNL 1 -6.693 -0.025 -4.597 1.00 0.00 H HETATM 40 H UNL 1 5.430 -2.258 4.112 1.00 0.00 H HETATM 41 H UNL 1 5.070 -4.181 2.178 1.00 0.00 H HETATM 42 H UNL 1 6.637 -3.362 2.141 1.00 0.00 H HETATM 43 H UNL 1 6.068 -1.992 1.175 1.00 0.00 H HETATM 44 H UNL 1 3.797 0.215 1.958 1.00 0.00 H HETATM 45 H UNL 1 3.699 -0.728 3.203 1.00 0.00 H HETATM 46 H UNL 1 2.770 -2.405 3.712 1.00 0.00 H HETATM 47 H UNL 1 3.169 -3.607 2.478 1.00 0.00 H HETATM 48 H UNL 1 6.904 -0.598 2.150 1.00 0.00 H HETATM 49 H UNL 1 5.569 0.370 2.847 1.00 0.00 H HETATM 50 H UNL 1 2.998 -0.965 -0.720 1.00 0.00 H HETATM 51 H UNL 1 2.832 0.438 0.304 1.00 0.00 H HETATM 52 H UNL 1 5.433 0.499 -0.104 1.00 0.00 H HETATM 53 H UNL 1 4.576 -2.104 -0.958 1.00 0.00 H HETATM 54 H UNL 1 6.290 -1.877 -0.606 1.00 0.00 H CONECT 1 2 3 21 CONECT 2 1 CONECT 3 1 4 8 CONECT 4 3 5 27 28 CONECT 5 4 6 29 30 CONECT 6 5 7 9 CONECT 7 6 8 31 32 CONECT 8 7 3 33 34 CONECT 9 6 10 11 CONECT 10 9 CONECT 11 9 12 35 36 CONECT 12 11 13 37 CONECT 13 12 14 15 CONECT 14 13 16 38 39 CONECT 15 13 CONECT 16 14 CONECT 17 18 22 23 40 CONECT 18 17 19 41 42 CONECT 19 18 20 26 43 CONECT 20 19 21 44 45 CONECT 21 20 22 1 24 CONECT 22 21 17 46 47 CONECT 23 17 25 48 49 CONECT 24 21 25 50 51 CONECT 25 23 24 26 52 CONECT 26 19 25 53 54 CONECT 27 4 CONECT 28 4 CONECT 29 5 CONECT 30 5 CONECT 31 7 CONECT 32 7 CONECT 33 8 CONECT 34 8 CONECT 35 11 CONECT 36 11 CONECT 37 12 CONECT 38 14 CONECT 39 14 CONECT 40 17 CONECT 41 18 CONECT 42 18 CONECT 43 19 CONECT 44 20 CONECT 45 20 CONECT 46 22 CONECT 47 22 CONECT 48 23 CONECT 49 23 CONECT 50 24 CONECT 51 24 CONECT 52 25 CONECT 53 26 CONECT 54 26 MASTER 0 0 0 0 0 0 0 0 54 0 54 0 END M END $$$$