REMARK  Name = BDB017720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.157  -0.062   3.292  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -4.587  -0.146   2.209  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -5.260   0.215   0.933  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -6.694   0.668   1.021  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -7.408   0.665  -0.337  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -6.504   1.215  -1.435  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -5.254   0.473  -1.430  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -4.632   0.646  -2.220  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -4.612   0.138  -0.247  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.202  -0.312  -0.282  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -2.582  -0.673   0.924  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -1.255  -1.118   0.962  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -0.503  -1.203  -0.216  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1       -1.111  -0.844  -1.426  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1       -2.435  -0.403  -1.450  0.00  0.00    +0.135 A 
ATOM     16  F   LIG    1       -2.952  -0.053  -2.640  0.00  0.00    -0.205 F 
ATOM     17  N   LIG    1       -3.295  -0.581   2.124  0.00  0.00    -0.322 N 
ATOM     18  H   LIG    1       -2.860  -0.826   3.003  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  19
ATOM     19  C   LIG    1        0.928  -1.699  -0.189  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.864  -0.787  -0.860  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        3.142  -1.476  -1.137  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        4.313  -0.523  -1.474  0.00  0.00    +0.122 C 
ATOM     23  N   LIG    1        4.545   0.445  -0.391  0.00  0.00    -0.312 N 
ATOM     24  C   LIG    1        3.461   0.596   0.590  0.00  0.00    +0.122 C 
ATOM     25  C   LIG    1        2.085   0.470  -0.104  0.00  0.00    +0.103 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.836   0.638   0.084  0.00  0.00    +0.140 A 
ATOM     27  N   LIG    1        6.023   0.862   1.407  0.00  0.00    -0.237 NA
ATOM     28  C   LIG    1        7.295   1.061   1.829  0.00  0.00    +0.132 A 
ATOM     29  C   LIG    1        8.377   1.046   0.971  0.00  0.00    +0.130 A 
ATOM     30  N   LIG    1        8.236   0.839  -0.351  0.00  0.00    -0.258 NA
ATOM     31  C   LIG    1        6.953   0.649  -0.763  0.00  0.00    +0.154 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  13  19
TORSDOF 3