REMARK  Name = BDB045857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.523  -1.211   0.002  0.00  0.00    -0.247 OA
ATOM      2  C   LIG    1        2.444  -0.628   0.012  0.00  0.00    +0.327 A 
ATOM      3  N   LIG    1        1.264  -1.311  -0.044  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1        1.337  -2.319  -0.094  0.00  0.00    +0.170 HD
ATOM      5  C   LIG    1        0.016  -0.683  -0.035  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1       -0.059   0.708   0.035  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1       -1.299   1.352   0.046  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -2.467   0.591  -0.014  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.393  -0.803  -0.084  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        1.201   1.474   0.097  0.00  0.00    +0.262 A 
ATOM     11  O   LIG    1        1.208   2.697   0.159  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1       -1.151  -1.444  -0.094  0.00  0.00    +0.026 A 
ATOM     13  N   LIG    1        2.358   0.733   0.080  0.00  0.00    -0.275 N 
ATOM     14  H   LIG    1        3.228   1.241   0.121  0.00  0.00    +0.173 HD
ENDROOT
TORSDOF 0