REMARK  Name = BDB045121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.595   0.436   0.183  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        2.139  -0.837   0.538  0.00  0.00    +0.091 A 
ATOM      3  C   LIG    1        0.797  -1.196   0.373  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1       -0.117  -0.260  -0.150  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.579  -0.632  -0.326  0.00  0.00    +0.110 C 
ATOM      6  N   LIG    1       -2.380   0.442  -0.873  0.00  0.00    -0.294 N 
ATOM      7  C   LIG    1       -1.800   1.395  -1.789  0.00  0.00    +0.113 C 
ATOM      8  C   LIG    1       -0.589   2.048  -1.131  0.00  0.00    +0.054 C 
ATOM      9  C   LIG    1       -3.662   0.478  -0.367  0.00  0.00    +0.216 C 
ATOM     10  O   LIG    1       -4.548   1.259  -0.671  0.00  0.00    -0.276 OA
ATOM     11  C   LIG    1       -3.786  -0.649   0.625  0.00  0.00    +0.098 C 
ATOM     12  C   LIG    1       -2.329  -0.956   0.965  0.00  0.00    +0.036 C 
ATOM     13  C   LIG    1        0.355   1.016  -0.547  0.00  0.00    -0.034 A 
ATOM     14  C   LIG    1        1.704   1.358  -0.358  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1        4.445   1.930   0.086  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        3.929   0.645   0.410  0.00  0.00    -0.495 OA
ENDBRANCH   1  16
BRANCH   3  17
ATOM     17  O   LIG    1        0.282  -2.430   0.675  0.00  0.00    -0.495 OA
ATOM     18  C   LIG    1        1.173  -3.398   1.217  0.00  0.00    +0.277 C 
ENDBRANCH   3  17
TORSDOF 2