REMARK  Name = BDB061773
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.836  -1.083   0.357  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.933  -2.234   1.133  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.124  -3.281   0.921  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.879  -2.316   2.149  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.749  -1.246   2.378  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.695  -0.091   1.577  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -1.719  -0.017   0.570  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  N   LIG    1        4.379  -1.342   0.107  0.00  0.00    -0.293 NA
ATOM      9  C   LIG    1        3.807  -1.681  -1.214  0.00  0.00    +0.071 C 
ATOM     10  C   LIG    1        3.638  -3.204  -1.262  0.00  0.00    +0.026 C 
ATOM     11  C   LIG    1        2.461  -0.982  -1.536  0.00  0.00    +0.126 C 
ATOM     12  N   LIG    1        1.498  -1.035  -0.438  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        0.143  -0.987  -0.738  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1       -0.298  -0.833  -1.875  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        2.055  -0.952   0.917  0.00  0.00    +0.123 C 
ATOM     16  C   LIG    1        3.519  -0.476   0.925  0.00  0.00    +0.104 C 
BRANCH   8  17
ATOM     17  C   LIG    1        5.778  -0.919   0.078  0.00  0.00    +0.111 C 
BRANCH  17  20
ATOM     18  C   LIG    1        6.831   2.801  -0.523  0.00  0.00    +0.035 C 
ATOM     19  C   LIG    1        6.579   1.467   0.103  0.00  0.00    -0.033 C 
ATOM     20  C   LIG    1        6.026   0.428  -0.543  0.00  0.00    -0.016 C 
ENDBRANCH  17  20
ENDBRANCH   8  17
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  C   LIG    1       -3.641   1.062   1.853  0.00  0.00    +0.162 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.164   1.714   0.652  0.00  0.00    -0.289 N 
ATOM     23  C   LIG    1       -5.192   1.106  -0.133  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1       -5.670   1.763  -1.273  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1       -6.678   1.207  -2.073  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -7.224  -0.028  -1.738  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.764  -0.698  -0.609  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -5.102   3.070  -1.637  0.00  0.00    +0.262 A 
ATOM     29  O   LIG    1       -5.496   3.702  -2.610  0.00  0.00    -0.267 OA
ATOM     30  N   LIG    1       -4.114   3.541  -0.820  0.00  0.00    -0.274 N 
ATOM     31  H   LIG    1       -3.710   4.432  -1.065  0.00  0.00    +0.173 HD
ATOM     32  C   LIG    1       -5.758  -0.137   0.188  0.00  0.00    +0.027 A 
ATOM     33  C   LIG    1       -3.616   2.939   0.300  0.00  0.00    +0.330 A 
ATOM     34  O   LIG    1       -2.720   3.498   0.932  0.00  0.00    -0.246 OA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 5