REMARK  Name = BDB050981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.193  -2.224  -0.090  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1       -2.596  -0.953   0.331  0.00  0.00    -0.298 NA
ATOM      3  C   LIG    1       -1.149  -0.876  -0.025  0.00  0.00    +0.092 C 
ATOM      4  C   LIG    1       -0.305  -1.890   0.785  0.00  0.00    +0.059 C 
ATOM      5  C   LIG    1        1.155  -1.814   0.391  0.00  0.00    -0.038 A 
ATOM      6  C   LIG    1        1.720  -0.554   0.095  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1        0.873   0.658   0.205  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1        1.361   1.952   0.380  0.00  0.00    +0.174 A 
ATOM      9  O   LIG    1        2.670   2.326   0.493  0.00  0.00    -0.452 OA
ATOM     10  C   LIG    1        2.558   3.747   0.684  0.00  0.00    +0.466 C 
ATOM     11  O   LIG    1        1.200   4.216   0.671  0.00  0.00    -0.453 OA
ATOM     12  C   LIG    1        0.527   3.046   0.493  0.00  0.00    +0.167 A 
ATOM     13  C   LIG    1       -0.843   2.937   0.444  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1       -1.391   1.662   0.275  0.00  0.00    -0.037 A 
ATOM     15  C   LIG    1       -2.887   1.497   0.277  0.00  0.00    +0.051 C 
ATOM     16  C   LIG    1        3.066  -0.531  -0.306  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        3.832  -1.700  -0.368  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        3.267  -2.925  -0.032  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        1.930  -2.984   0.347  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -0.547   0.524   0.175  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1       -3.324   0.156  -0.309  0.00  0.00    +0.089 C 
ENDROOT
TORSDOF 0