REMARK  Name = BDB052856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.866  -3.284  -0.348  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1       -2.188  -2.100   0.127  0.00  0.00    -0.245 N 
ATOM      3  C   LIG    1       -2.151  -1.632   1.385  0.00  0.00    +0.183 C 
ATOM      4  N   LIG    1       -1.422  -0.587   1.599  0.00  0.00    -0.230 NA
ATOM      5  C   LIG    1       -0.815  -0.207   0.267  0.00  0.00    +0.191 C 
ATOM      6  C   LIG    1       -1.378  -1.325  -0.652  0.00  0.00    +0.258 C 
ATOM      7  O   LIG    1       -1.152  -1.505  -1.843  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        0.725  -0.259   0.320  0.00  0.00    -0.007 A 
ATOM      9  C   LIG    1        1.413  -0.387   1.537  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        2.810  -0.418   1.575  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        3.557  -0.305   0.403  0.00  0.00    +0.127 A 
ATOM     12  C   LIG    1        2.893  -0.186  -0.816  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        1.493  -0.155  -0.854  0.00  0.00    +0.010 A 
BRANCH  11  14
ATOM     14  O   LIG    1        4.912  -0.346   0.577  0.00  0.00    -0.434 OA
BRANCH  14  15
ATOM     15  C   LIG    1        5.691   0.171  -0.488  0.00  0.00    +0.541 C 
ATOM     16  F   LIG    1        5.729  -0.736  -1.495  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        6.964   0.296  -0.033  0.00  0.00    -0.166 F 
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   5   8
BRANCH   5  18
ATOM     18  C   LIG    1       -1.302   1.206  -0.116  0.00  0.00    -0.007 A 
ATOM     19  C   LIG    1       -1.370   2.206   0.875  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -1.784   3.504   0.569  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -2.129   3.834  -0.737  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -2.055   2.868  -1.737  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -1.641   1.567  -1.431  0.00  0.00    +0.007 A 
ENDBRANCH   5  18
BRANCH   3  24
ATOM     24  N   LIG    1       -2.847  -2.220   2.386  0.00  0.00    -0.331 N 
ATOM     25  H   LIG    1       -3.741  -2.622   2.138  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -2.898  -1.631   3.212  0.00  0.00    +0.145 HD
ENDBRANCH   3  24
TORSDOF 5