REMARK  Name = BDB058330
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.550   1.157  -0.389  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1        2.121   0.934  -0.496  0.00  0.00    -0.343 N 
ATOM      3  C   LIG    1        1.289   1.646  -1.334  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -0.003   1.142  -1.156  0.00  0.00    +0.006 A 
ATOM      5  C   LIG    1       -1.051   1.724  -1.904  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -0.785   2.768  -2.796  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.509   3.245  -2.957  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.066   0.091  -0.174  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        1.566   2.695  -2.228  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1        1.399   0.013   0.233  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -1.037  -0.763   0.372  0.00  0.00    +0.141 C 
ATOM     12  N   LIG    1       -2.090  -0.005   1.019  0.00  0.00    -0.276 N 
ATOM     13  C   LIG    1       -3.330  -0.229   0.456  0.00  0.00    +0.248 C 
ATOM     14  O   LIG    1       -4.410   0.197   0.815  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -3.116  -1.130  -0.686  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1       -4.045  -1.626  -1.581  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -3.575  -2.465  -2.592  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -2.208  -2.786  -2.680  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -1.286  -2.274  -1.759  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1       -1.754  -1.431  -0.762  0.00  0.00    -0.010 A 
BRANCH  12  21
ATOM     21  C   LIG    1       -1.865   0.813   2.196  0.00  0.00    +0.229 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.495   2.241   1.836  0.00  0.00    +0.322 C 
ATOM     23  O   LIG    1       -2.050   2.976   1.035  0.00  0.00    -0.249 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -0.427   2.693   2.531  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -0.298   3.590   2.153  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  12  21
ENDBRANCH   8  11
BRANCH  10  26
ATOM     26  C   LIG    1        1.990  -0.849   1.253  0.00  0.00    -0.001 A 
ATOM     27  C   LIG    1        2.370  -2.159   0.936  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        2.922  -2.982   1.918  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        3.088  -2.493   3.209  0.00  0.00    +0.123 A 
ATOM     30  F   LIG    1        3.618  -3.285   4.151  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        2.711  -1.196   3.540  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1        2.159  -0.370   2.559  0.00  0.00    +0.013 A 
ENDBRANCH  10  26
TORSDOF 5