REMARK  Name = BDB017630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.532  -1.269  -3.508  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -4.236  -0.949  -2.361  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -5.150  -0.141  -1.509  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -6.467   0.260  -2.119  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -7.184   1.348  -1.313  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -7.107   1.054   0.180  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -5.711   0.889   0.570  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -5.596   0.681   1.558  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -4.821   0.193  -0.245  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -3.494  -0.200   0.290  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -2.649  -0.981  -0.513  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -1.393  -1.399  -0.061  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -0.942  -1.027   1.210  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -1.768  -0.226   2.010  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.025   0.186   1.554  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -3.053  -1.337  -1.803  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -2.447  -1.885  -2.398  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1        0.417  -1.469   1.711  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.331  -0.347   1.976  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        2.574  -0.812   2.638  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        3.769  -1.021   1.681  0.00  0.00    +0.122 C 
ATOM     22  N   LIG    1        4.141   0.253   1.023  0.00  0.00    -0.312 N 
ATOM     23  C   LIG    1        2.989   1.159   0.784  0.00  0.00    +0.122 C 
ATOM     24  C   LIG    1        1.650   0.391   0.725  0.00  0.00    +0.103 C 
BRANCH  22  25
ATOM     25  C   LIG    1        4.877   0.053  -0.157  0.00  0.00    +0.133 A 
ATOM     26  C   LIG    1        6.010   0.828  -0.406  0.00  0.00    +0.095 A 
ATOM     27  C   LIG    1        6.703   0.629  -1.612  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1        6.256  -0.317  -2.523  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        5.125  -1.036  -2.197  0.00  0.00    +0.113 A 
ATOM     30  N   LIG    1        4.436  -0.867  -1.048  0.00  0.00    -0.240 NA
BRANCH  26  31
ATOM     31  C   LIG    1        6.481   1.839   0.595  0.00  0.00    +0.421 C 
ATOM     32  F   LIG    1        5.584   2.839   0.826  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        6.798   1.309   1.810  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        7.620   2.483   0.188  0.00  0.00    -0.166 F 
ENDBRANCH  26  31
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 4