REMARK  Name = BDB059314
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.210   0.794   0.071  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.671   0.399   1.062  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.524  -0.483   1.560  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.111   1.621  -0.781  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.754   0.048  -0.986  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -2.474   0.598  -0.926  0.00  0.00    +0.061 A 
ATOM      7  C   LIG    1       -1.563   0.177   0.058  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1       -1.953  -0.802   0.976  0.00  0.00    +0.139 A 
ATOM      9  F   LIG    1       -1.095  -1.234   1.914  0.00  0.00    -0.204 F 
ATOM     10  C   LIG    1       -3.233  -1.361   0.935  0.00  0.00    -0.011 A 
ATOM     11  C   LIG    1       -3.623  -2.437   1.903  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -4.121  -0.935  -0.060  0.00  0.00    +0.051 A 
BRANCH   5  13
ATOM     13  O   LIG    1       -4.726   0.353  -1.896  0.00  0.00    -0.488 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -4.539   1.461  -2.778  0.00  0.00    +0.256 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.440   1.142  -5.272  0.00  0.00    +0.007 C 
ATOM     16  C   LIG    1       -3.899   0.998  -4.054  0.00  0.00    +0.006 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  17
ATOM     17  N   LIG    1        2.145   0.772   0.825  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.210   1.434   0.034  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.143  -0.575   0.470  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1        3.474  -0.498  -0.936  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        2.515  -1.747   1.047  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.588  -0.190   1.421  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1        4.596  -0.461   2.793  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        5.738  -0.178   3.541  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        6.864   0.364   2.918  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.855   0.622   1.546  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.716   0.342   0.790  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   2  17
TORSDOF 7