REMARK  Name = BDB059804
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.991   1.331  -1.206  0.00  0.00    -0.199 N 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.920   1.167   0.226  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        0.475   2.245   0.996  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        0.449   2.155   2.389  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        0.879   0.989   3.020  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        1.341  -0.084   2.260  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        1.367   0.006   0.866  0.00  0.00    +0.025 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  S   LIG    1        2.358   2.176  -1.792  0.00  0.00    +0.075 S 
ATOM      9  O   LIG    1        2.238   2.293  -3.232  0.00  0.00    -0.150 OA
ATOM     10  O   LIG    1        2.588   3.357  -0.984  0.00  0.00    -0.150 OA
BRANCH   8  14
ATOM     11  C   LIG    1        5.833  -0.686  -0.979  0.00  0.00    +0.162 A 
ATOM     12  C   LIG    1        5.431   0.236   0.012  0.00  0.00    +0.163 A 
ATOM     13  C   LIG    1        4.376   1.115  -0.249  0.00  0.00    +0.078 A 
ATOM     14  C   LIG    1        3.706   1.052  -1.475  0.00  0.00    +0.112 A 
ATOM     15  C   LIG    1        4.112   0.159  -2.467  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        5.173  -0.713  -2.214  0.00  0.00    +0.051 A 
BRANCH  11  18
ATOM     17  C   LIG    1        7.398  -2.363  -1.652  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        6.873  -1.516  -0.640  0.00  0.00    -0.491 OA
ENDBRANCH  11  18
BRANCH  12  19
ATOM     19  O   LIG    1        6.128   0.196   1.194  0.00  0.00    -0.491 OA
ATOM     20  C   LIG    1        5.759   1.119   2.210  0.00  0.00    +0.277 C 
ENDBRANCH  12  19
ENDBRANCH   8  14
ENDBRANCH   1   8
BRANCH   1  21
ATOM     21  C   LIG    1        0.521   0.210  -2.060  0.00  0.00    +0.166 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -0.910  -0.204  -1.785  0.00  0.00    -0.028 A 
ATOM     23  C   LIG    1       -1.952   0.722  -1.936  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -3.273   0.351  -1.678  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -3.580  -0.952  -1.265  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1       -2.540  -1.881  -1.125  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -1.217  -1.510  -1.383  0.00  0.00    +0.005 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -5.014  -1.349  -0.981  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -5.648  -0.529   0.064  0.00  0.00    -0.294 NA
ATOM     30  C   LIG    1       -5.043  -0.771   1.392  0.00  0.00    +0.113 C 
ATOM     31  C   LIG    1       -5.769   0.024   2.490  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1       -7.163  -0.307   2.534  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1       -7.771  -0.028   1.266  0.00  0.00    +0.175 C 
ATOM     34  C   LIG    1       -7.094  -0.826   0.141  0.00  0.00    +0.113 C 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 9