REMARK  Name = BDB021916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.157  -0.653  -0.588  0.00  0.00    -0.310 NA
ATOM      2  H   LIG    1       -0.478  -0.188  -1.236  0.00  0.00    +0.122 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.419  -0.652   0.767  0.00  0.00    +0.056 C 
ATOM      4  C   LIG    1       -1.144  -1.991   1.001  0.00  0.00    +0.034 C 
ATOM      5  C   LIG    1       -2.648  -1.867   0.769  0.00  0.00    +0.086 C 
ATOM      6  N   LIG    1       -3.248  -0.925   1.718  0.00  0.00    -0.298 NA
ATOM      7  C   LIG    1       -2.419   0.236   2.040  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -1.374   0.542   0.968  0.00  0.00    +0.034 C 
BRANCH   6   9
ATOM      9  C   LIG    1       -4.665  -0.638   1.469  0.00  0.00    +0.119 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.991   0.127   0.202  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -5.030   1.530   0.196  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -5.330   2.229  -0.975  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -5.600   1.537  -2.153  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -5.575   0.144  -2.161  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.275  -0.556  -0.991  0.00  0.00    +0.005 A 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   1   3
BRANCH   1  17
ATOM     16  C   LIG    1        1.594   1.378  -0.320  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1        1.512  -0.093  -0.738  0.00  0.00    +0.055 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.579  -0.971  -0.041  0.00  0.00    +0.053 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.998  -0.647  -0.456  0.00  0.00    -0.045 A 
ATOM     20  C   LIG    1        4.843   0.082   0.394  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1        6.159   0.391   0.013  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1        6.618  -0.029  -1.244  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        5.785  -0.756  -2.095  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.483  -1.064  -1.702  0.00  0.00    +0.004 A 
BRANCH  21  25
ATOM     25  C   LIG    1        7.049   1.196   0.925  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1        6.900   2.538   0.742  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        8.376   0.941   0.746  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        6.805   0.971   2.247  0.00  0.00    -0.166 F 
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 7