REMARK  Name = BDB017711
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.135  -0.767   3.337  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -4.592  -0.605   2.248  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -5.294   0.039   1.106  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -6.703   0.513   1.351  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -7.210   1.472   0.266  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -6.798   0.996  -1.124  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -5.359   0.797  -1.147  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -4.950   0.625  -2.065  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -4.693   0.190  -0.091  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.306  -0.291  -0.282  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -2.644  -0.876   0.807  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -1.329  -1.342   0.699  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -0.632  -1.230  -0.513  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1       -1.289  -0.665  -1.611  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1       -2.602  -0.205  -1.489  0.00  0.00    +0.135 A 
ATOM     16  F   LIG    1       -3.179   0.315  -2.585  0.00  0.00    -0.205 F 
ATOM     17  N   LIG    1       -3.306  -1.011   2.032  0.00  0.00    -0.322 N 
ATOM     18  H   LIG    1       -2.842  -1.438   2.822  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  19
ATOM     19  C   LIG    1        0.786  -1.745  -0.644  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.678  -1.268   0.422  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        1.979   0.177   0.321  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        3.233   0.556  -0.504  0.00  0.00    +0.122 C 
ATOM     23  N   LIG    1        4.426  -0.192  -0.073  0.00  0.00    -0.313 N 
ATOM     24  C   LIG    1        4.187  -1.293   0.874  0.00  0.00    +0.122 C 
ATOM     25  C   LIG    1        2.925  -2.072   0.442  0.00  0.00    +0.103 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.624   0.497   0.087  0.00  0.00    +0.121 A 
ATOM     27  N   LIG    1        6.432   0.173   1.124  0.00  0.00    -0.237 NA
ATOM     28  C   LIG    1        7.606   0.837   1.262  0.00  0.00    +0.151 A 
ATOM     29  C   LIG    1        8.033   1.822   0.397  0.00  0.00    +0.142 A 
ATOM     30  F   LIG    1        9.205   2.441   0.583  0.00  0.00    -0.204 F 
ATOM     31  C   LIG    1        7.228   2.150  -0.676  0.00  0.00    +0.043 A 
ATOM     32  C   LIG    1        6.015   1.477  -0.834  0.00  0.00    +0.046 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  13  19
TORSDOF 3