REMARK  Name = BDB059387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.547   0.722  -1.926  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.431   0.286  -0.783  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1       -1.454  -0.398  -0.151  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -1.464  -0.557   0.854  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.833   0.467  -0.025  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        2.027   0.576  -0.752  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1        3.249   0.760  -0.100  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1        3.280   0.816   1.291  0.00  0.00    +0.084 A 
ATOM      9  C   LIG    1        2.089   0.724   2.006  0.00  0.00    +0.128 A 
ATOM     10  F   LIG    1        2.123   0.794   3.344  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        0.864   0.558   1.369  0.00  0.00    +0.051 A 
BRANCH   7  12
ATOM     12  O   LIG    1        4.341   0.818  -0.919  0.00  0.00    -0.492 OA
BRANCH  12  13
ATOM     13  C   LIG    1        5.500   1.500  -0.429  0.00  0.00    +0.232 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.580   0.555   0.013  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        6.337  -0.887   0.392  0.00  0.00    +0.007 C 
ATOM     16  C   LIG    1        7.037  -0.559  -0.897  0.00  0.00    +0.007 C 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1       -2.846  -0.246  -0.787  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1       -2.760   0.233  -1.698  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1       -3.939   0.642   0.189  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1       -4.110   1.936  -0.433  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1       -3.489   0.506   1.561  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -5.426  -0.297  -0.014  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1       -5.633  -1.434   0.773  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -6.814  -2.162   0.629  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -7.781  -1.750  -0.290  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -7.575  -0.607  -1.065  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -6.396   0.127  -0.927  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 7