REMARK  Name = BDB056237
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.962   0.438   2.893  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.555   0.286   1.746  0.00  0.00    +0.255 A 
ATOM      3  C   LIG    1        2.462   0.083   0.598  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        3.938   0.084   0.857  0.00  0.00    +0.042 C 
ATOM      5  C   LIG    1        4.749  -0.458  -0.322  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1        4.215   0.078  -1.645  0.00  0.00    +0.006 C 
ATOM      7  C   LIG    1        2.747  -0.306  -1.841  0.00  0.00    +0.056 C 
ATOM      8  C   LIG    1        1.896  -0.107  -0.607  0.00  0.00    +0.052 A 
ATOM      9  N   LIG    1        0.540  -0.125  -0.832  0.00  0.00    -0.234 NA
ATOM     10  C   LIG    1       -0.247   0.080   0.177  0.00  0.00    +0.141 A 
ATOM     11  N   LIG    1        0.226   0.292   1.448  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1       -0.388   0.384   2.241  0.00  0.00    +0.170 HD
ENDROOT
BRANCH  10  13
ATOM     13  C   LIG    1       -1.724   0.076  -0.003  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1       -2.572   0.826   0.822  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.956   0.795   0.617  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -4.513   0.017  -0.411  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1       -3.655  -0.713  -1.247  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -2.272  -0.682  -1.045  0.00  0.00    +0.012 A 
BRANCH  16  19
ATOM     19  C   LIG    1       -6.005   0.006  -0.643  0.00  0.00    +0.417 C 
ATOM     20  F   LIG    1       -6.451  -1.152  -1.203  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -6.722   0.164   0.505  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1       -6.406   1.005  -1.476  0.00  0.00    -0.166 F 
ENDBRANCH  16  19
ENDBRANCH  10  13
TORSDOF 2