REMARK  Name = BDB050677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.375   0.847  -0.058  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.195   0.543  -0.107  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1       -3.668  -0.565  -0.761  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -4.241  -1.227  -1.261  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1       -2.291  -0.620  -0.625  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -1.850   0.461   0.130  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1       -0.504   0.629   0.406  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        0.417  -0.315  -0.089  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1       -0.069  -1.406  -0.857  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -1.432  -1.567  -1.131  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -3.025   1.301   0.531  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        1.855  -0.173   0.183  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        2.609  -1.213   0.731  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        3.936  -1.150   1.002  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        4.556   0.013   0.717  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.912   1.111   0.175  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        2.547   1.013  -0.093  0.00  0.00    +0.011 A 
ENDBRANCH   8  12
TORSDOF 1