REMARK  Name = BDB031331
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.640  -2.216   1.817  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        0.995  -1.471   1.084  0.00  0.00    +0.308 C 
ATOM      3  N   LIG    1       -0.370  -1.588   1.090  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -0.658  -2.438   1.561  0.00  0.00    +0.156 HD
ATOM      5  N   LIG    1        1.519  -0.581   0.186  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        0.902  -0.348  -0.578  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.395  -0.714   0.678  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1       -2.680  -1.266   0.558  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -3.695  -0.421   0.170  0.00  0.00    +0.069 A 
ATOM     10  C   LIG    1       -3.481   0.932  -0.078  0.00  0.00    +0.067 A 
ATOM     11  N   LIG    1       -4.696   1.499  -0.442  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1       -4.879   2.460  -0.678  0.00  0.00    +0.170 HD
ATOM     13  C   LIG    1       -5.682   0.501  -0.426  0.00  0.00    +0.325 A 
ATOM     14  O   LIG    1       -6.862   0.639  -0.690  0.00  0.00    -0.247 OA
ATOM     15  C   LIG    1       -2.245   1.511   0.059  0.00  0.00    +0.029 A 
ATOM     16  N   LIG    1       -5.043  -0.688  -0.044  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1       -5.518  -1.570   0.053  0.00  0.00    +0.170 HD
ATOM     18  C   LIG    1       -1.193   0.670   0.451  0.00  0.00    +0.025 A 
ENDBRANCH   3   7
BRANCH   5  19
ATOM     19  C   LIG    1        2.866  -0.191   0.048  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        3.206   0.556  -1.084  0.00  0.00    +0.061 A 
ATOM     21  C   LIG    1        4.519   0.983  -1.266  0.00  0.00    +0.125 A 
ATOM     22  F   LIG    1        4.831   1.696  -2.357  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        5.508   0.685  -0.338  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        5.175  -0.051   0.795  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        3.858  -0.485   0.989  0.00  0.00    +0.023 A 
ENDBRANCH   5  19
TORSDOF 2