REMARK  Name = BDB001857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.052   3.685  -0.890  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1        0.646   2.341  -0.489  0.00  0.00    -0.331 N 
ATOM      3  C   LIG    1        1.595   1.339  -0.295  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        2.946   1.529  -0.616  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        3.902   0.529  -0.430  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        3.544  -0.715   0.085  0.00  0.00    -0.018 A 
ATOM      7  C   LIG    1        2.192  -0.969   0.410  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1        1.890  -2.251   0.933  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        2.872  -3.229   1.119  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.191  -2.955   0.788  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.524  -1.705   0.274  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        1.219   0.067   0.196  0.00  0.00    -0.017 A 
ATOM     13  C   LIG    1       -0.239  -0.222   0.510  0.00  0.00    +0.068 C 
ATOM     14  C   LIG    1       -1.250   0.874   0.151  0.00  0.00    +0.183 C 
ATOM     15  C   LIG    1       -1.803   0.681  -1.239  0.00  0.00    +0.329 C 
ATOM     16  O   LIG    1       -1.554   1.376  -2.215  0.00  0.00    -0.249 OA
ATOM     17  O   LIG    1       -2.608  -0.396  -1.373  0.00  0.00    -0.422 OA
ATOM     18  C   LIG    1       -3.548  -0.646  -0.333  0.00  0.00    +0.254 C 
ATOM     19  C   LIG    1       -4.936  -0.532  -0.966  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1       -3.347  -2.063   0.203  0.00  0.00    +0.104 C 
ATOM     21  O   LIG    1       -3.529   0.274   0.759  0.00  0.00    -0.422 OA
ATOM     22  C   LIG    1       -2.370   0.835   1.151  0.00  0.00    +0.329 C 
ATOM     23  O   LIG    1       -2.273   1.291   2.287  0.00  0.00    -0.249 OA
ATOM     24  C   LIG    1       -0.596   2.247   0.282  0.00  0.00    +0.134 C 
ENDROOT
TORSDOF 0