REMARK  Name = BDB042817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.570  -2.815   1.530  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        0.558  -1.661   1.501  0.00  0.00    +0.076 C 
ATOM      3  C   LIG    1        0.171  -1.240   0.067  0.00  0.00    +0.063 C 
ATOM      4  C   LIG    1        1.387  -0.584  -0.585  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1        2.249   0.242   0.269  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        3.255   0.985  -0.336  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        3.462   0.832  -1.782  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1        2.639  -0.069  -2.421  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1        2.760  -0.179  -3.423  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1        4.336   1.462  -2.366  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1        4.059   1.826   0.431  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        3.831   1.897   1.800  0.00  0.00    +0.126 A 
ATOM     13  F   LIG    1        4.583   2.712   2.550  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        2.842   1.125   2.414  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1        2.063   0.247   1.657  0.00  0.00    +0.040 A 
ATOM     16  N   LIG    1        1.593  -0.742  -1.859  0.00  0.00    -0.175 NA
ATOM     17  N   LIG    1        1.060  -0.514   2.272  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1        1.258  -0.729   3.248  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   3  19
ATOM     19  C   LIG    1       -1.041  -0.259  -0.017  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -1.439   0.013  -1.491  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1       -2.923   0.343  -1.691  0.00  0.00    +0.084 C 
ATOM     22  N   LIG    1       -3.427   1.102  -0.552  0.00  0.00    -0.305 NA
ATOM     23  C   LIG    1       -4.748   1.665  -0.816  0.00  0.00    +0.104 C 
ATOM     24  C   LIG    1       -3.431   0.295   0.673  0.00  0.00    +0.084 C 
ATOM     25  C   LIG    1       -2.284  -0.727   0.753  0.00  0.00    +0.019 C 
ENDBRANCH   3  19
TORSDOF 1