REMARK  Name = BDB056381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.355   0.013   0.264  0.00  0.00    -0.293 N 
ATOM      2  C   LIG    1       -0.864   1.361   0.132  0.00  0.00    +0.067 A 
ATOM      3  C   LIG    1       -2.241   1.544  -0.154  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1       -2.766   2.820  -0.401  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.947   3.938  -0.335  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.614   3.789   0.030  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -3.159   0.406  -0.166  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -2.728  -0.820   0.149  0.00  0.00    +0.083 A 
ATOM      9  C   LIG    1       -3.655  -1.958   0.191  0.00  0.00    +0.263 A 
ATOM     10  O   LIG    1       -4.866  -1.851   0.039  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1       -3.050  -3.144   0.451  0.00  0.00    -0.273 N 
ATOM     12  H   LIG    1       -3.655  -3.934   0.615  0.00  0.00    +0.174 HD
ATOM     13  C   LIG    1       -1.788  -3.270   0.957  0.00  0.00    +0.350 A 
ATOM     14  O   LIG    1       -1.493  -4.309   1.538  0.00  0.00    -0.245 OA
ATOM     15  N   LIG    1       -0.906  -2.239   0.810  0.00  0.00    -0.175 NA
ATOM     16  C   LIG    1       -0.061   2.517   0.305  0.00  0.00    +0.079 A 
ATOM     17  C   LIG    1       -1.286  -1.047   0.430  0.00  0.00    +0.156 A 
ENDROOT
BRANCH   1  21
ATOM     18  C   LIG    1        4.010  -2.359   0.710  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        3.066  -1.512  -0.091  0.00  0.00    -0.048 A 
ATOM     20  C   LIG    1        1.828  -1.134   0.448  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        0.916  -0.365  -0.294  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        1.259   0.002  -1.606  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        2.483  -0.384  -2.155  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        3.380  -1.141  -1.402  0.00  0.00    +0.003 A 
ENDBRANCH   1  21
BRANCH  16  25
ATOM     25  C   LIG    1        1.353   2.494   0.846  0.00  0.00    +0.419 C 
ATOM     26  F   LIG    1        2.295   2.318  -0.117  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        1.690   3.675   1.452  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        1.568   1.550   1.802  0.00  0.00    -0.166 F 
ENDBRANCH  16  25
TORSDOF 2