REMARK  Name = BDB000008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.081   3.479  -0.015  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -0.969   2.993   0.023  0.00  0.00    +0.260 A 
ATOM      3  C   LIG    1       -0.622   1.572   0.007  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -1.472   0.459  -0.054  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1       -0.821  -0.765  -0.052  0.00  0.00    +0.073 A 
ATOM      6  C   LIG    1        0.731  -0.853   0.013  0.00  0.00    +0.073 A 
ATOM      7  C   LIG    1        1.514   0.291   0.072  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        2.871  -0.157   0.121  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        2.849  -1.558   0.090  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        4.013  -2.338   0.123  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        5.239  -1.673   0.191  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        5.298  -0.284   0.223  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.127   0.482   0.189  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1        1.530  -1.952   0.024  0.00  0.00    -0.352 N 
ATOM     15  H   LIG    1        1.223  -2.913  -0.010  0.00  0.00    +0.166 HD
ATOM     16  N   LIG    1       -1.736  -1.768  -0.113  0.00  0.00    -0.352 N 
ATOM     17  H   LIG    1       -1.536  -2.757  -0.126  0.00  0.00    +0.166 HD
ATOM     18  C   LIG    1       -3.003  -1.229  -0.157  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.245  -1.873  -0.224  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1       -5.391  -1.076  -0.257  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -5.296   0.312  -0.223  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -4.048   0.942  -0.155  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -2.870   0.166  -0.121  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        0.792   1.492   0.067  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        1.292   2.866   0.118  0.00  0.00    +0.260 A 
ATOM     26  O   LIG    1        2.451   3.224   0.176  0.00  0.00    -0.267 OA
ATOM     27  N   LIG    1        0.203   3.678   0.088  0.00  0.00    -0.289 N 
ATOM     28  H   LIG    1        0.259   4.684   0.112  0.00  0.00    +0.172 HD
ENDROOT
TORSDOF 0