REMARK  Name = BDB056235
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.946   2.904   1.736  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        1.660   1.878   1.130  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1        2.677   1.001   0.533  0.00  0.00    +0.064 A 
ATOM      4  C   LIG    1        4.114   1.381   0.672  0.00  0.00    +0.202 C 
ATOM      5  O   LIG    1        4.966   0.613  -0.193  0.00  0.00    -0.375 OA
ATOM      6  C   LIG    1        4.655  -0.781  -0.146  0.00  0.00    +0.166 C 
ATOM      7  C   LIG    1        3.262  -1.028  -0.724  0.00  0.00    +0.084 C 
ATOM      8  C   LIG    1        2.249  -0.093  -0.116  0.00  0.00    +0.056 A 
ATOM      9  N   LIG    1        0.930  -0.448  -0.260  0.00  0.00    -0.233 NA
ATOM     10  C   LIG    1        0.037   0.323   0.280  0.00  0.00    +0.141 A 
ATOM     11  N   LIG    1        0.369   1.466   0.967  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1       -0.329   2.093   1.333  0.00  0.00    +0.170 HD
ENDROOT
BRANCH  10  13
ATOM     13  C   LIG    1       -1.411   0.003   0.161  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1       -1.848  -0.723  -0.954  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.200  -1.044  -1.104  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -4.135  -0.658  -0.133  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1       -3.691   0.065   0.986  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -2.338   0.388   1.137  0.00  0.00    +0.012 A 
BRANCH  16  19
ATOM     19  C   LIG    1       -5.600  -0.986  -0.302  0.00  0.00    +0.417 C 
ATOM     20  F   LIG    1       -5.817  -2.115  -1.031  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -6.280   0.008  -0.936  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1       -6.241  -1.180   0.885  0.00  0.00    -0.166 F 
ENDBRANCH  16  19
ENDBRANCH  10  13
TORSDOF 2