REMARK  Name = BDB017708
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.551  -0.098  -3.169  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -5.022  -0.051  -2.062  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -5.674   0.614  -0.904  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -7.012   1.262  -1.151  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -7.430   2.221  -0.029  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -7.112   1.635   1.343  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -5.707   1.267   1.382  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -5.340   1.011   2.299  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -5.090   0.636   0.311  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.773  -0.013   0.505  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -3.154  -0.618  -0.600  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -1.904  -1.240  -0.491  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -1.237  -1.275   0.740  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1       -1.851  -0.686   1.852  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1       -3.097  -0.069   1.730  0.00  0.00    +0.135 A 
ATOM     16  F   LIG    1       -3.638   0.464   2.838  0.00  0.00    -0.205 F 
ATOM     17  N   LIG    1       -3.796  -0.613  -1.843  0.00  0.00    -0.322 N 
ATOM     18  H   LIG    1       -3.371  -1.055  -2.646  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  19
ATOM     19  C   LIG    1        0.115  -1.941   0.874  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.168  -1.018   1.323  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        1.421   0.047   0.324  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        2.841   0.657   0.385  0.00  0.00    +0.120 C 
ATOM     23  N   LIG    1        3.861  -0.380   0.151  0.00  0.00    -0.325 N 
ATOM     24  C   LIG    1        3.502  -1.751   0.553  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        2.415  -1.742   1.654  0.00  0.00    +0.103 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.098  -0.093  -0.408  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1        5.916  -1.073  -1.017  0.00  0.00    +0.146 A 
ATOM     28  F   LIG    1        5.500  -2.347  -1.108  0.00  0.00    -0.203 F 
ATOM     29  C   LIG    1        7.161  -0.782  -1.576  0.00  0.00    +0.073 A 
ATOM     30  C   LIG    1        7.631   0.528  -1.538  0.00  0.00    +0.129 A 
ATOM     31  C   LIG    1        6.863   1.534  -0.948  0.00  0.00    +0.035 A 
ATOM     32  C   LIG    1        5.615   1.216  -0.393  0.00  0.00    +0.028 A 
BRANCH  30  33
ATOM     33  N   LIG    1        8.938   0.852  -2.120  0.00  0.00    +0.057 N 
ATOM     34  O   LIG    1        9.589  -0.075  -2.623  0.00  0.00    -0.126 OA
ATOM     35  O   LIG    1        9.313   2.032  -2.074  0.00  0.00    -0.126 OA
ENDBRANCH  30  33
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  13  19
TORSDOF 4