REMARK  Name = BDB029406
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.533  -0.836  -0.471  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.358  -0.588  -0.257  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1       -3.862   0.127   0.827  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -4.456   0.511   1.546  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1       -2.482   0.229   0.772  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -2.008  -0.423  -0.362  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1       -0.652  -0.461  -0.641  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        0.242   0.173   0.243  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -0.276   0.829   1.390  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -1.648   0.861   1.665  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -3.162  -1.003  -1.123  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        1.692   0.156  -0.017  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1        2.429   1.350  -0.083  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        3.804   1.335  -0.331  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.466   0.124  -0.517  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        3.754  -1.071  -0.455  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        2.379  -1.054  -0.208  0.00  0.00    +0.008 A 
ENDBRANCH   8  12
TORSDOF 1