REMARK  Name = BDB050015
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.905   0.591   1.945  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -1.152  -0.264   1.118  0.00  0.00    +0.084 A 
ATOM      3  C   LIG    1       -1.422  -1.649   1.207  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1       -0.698  -2.529   0.397  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        0.269  -2.043  -0.475  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        0.498  -0.676  -0.522  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1       -2.395  -2.147   2.090  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -3.119  -1.285   2.903  0.00  0.00    +0.001 A 
ATOM      9  N   LIG    1       -0.198   0.189   0.261  0.00  0.00    -0.246 NA
ATOM     10  C   LIG    1       -2.875   0.080   2.831  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.508  -0.065  -1.405  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        2.294   1.013  -0.956  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        3.257   1.604  -1.778  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        3.452   1.130  -3.072  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        2.684   0.069  -3.543  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        1.721  -0.521  -2.718  0.00  0.00    +0.010 A 
ENDBRANCH   6  11
BRANCH   1  20
ATOM     17  N   LIG    1       -0.918   2.634   1.009  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -0.771   3.632   1.012  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -0.393   2.046   0.365  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1       -1.737   2.076   1.945  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1       -2.323   2.789   2.754  0.00  0.00    -0.270 OA
ENDBRANCH   1  20
TORSDOF 2