REMARK  Name = BDB006811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.168  -0.204  -0.210  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        1.298   0.510  -0.915  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        2.303  -0.718   0.389  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1        2.337  -1.801   0.961  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.540   0.103   0.273  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        4.780  -0.549   0.327  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        5.977   0.178   0.223  0.00  0.00    +0.056 A 
ATOM      8  C   LIG    1        5.913   1.573   0.088  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        4.680   2.228   0.050  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.495   1.497   0.145  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1        7.308  -0.530   0.299  0.00  0.00    +0.417 C 
ATOM     12  F   LIG    1        7.725  -0.715   1.581  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1        8.310   0.152  -0.326  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1        7.289  -1.764  -0.275  0.00  0.00    -0.166 F 
ENDBRANCH   7  11
ENDBRANCH   3   5
BRANCH   1  15
ATOM     15  C   LIG    1       -0.039  -1.004  -0.287  0.00  0.00    +0.106 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.257  -0.141  -0.598  0.00  0.00    +0.034 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.524  -0.996  -0.687  0.00  0.00    +0.083 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.702  -0.189  -1.004  0.00  0.00    -0.311 NA
ATOM     19  H   LIG    1       -3.423   0.713  -1.389  0.00  0.00    +0.122 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -5.359  -1.326   0.456  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1       -4.688   0.004   0.073  0.00  0.00    +0.011 C 
ATOM     22  C   LIG    1       -4.074   0.669   1.316  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1       -5.774   0.942  -0.493  0.00  0.00    +0.027 C 
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 7