REMARK  Name = BDB031276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.591   0.885  -1.096  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -0.502   0.390   0.022  0.00  0.00    +0.225 C 
ATOM      3  N   LIG    1        0.683  -0.018   0.630  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1        0.608  -0.364   1.578  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.988   0.016   0.091  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        3.026  -0.427   0.930  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        4.304  -0.404   0.421  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        4.583   0.036  -0.869  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1        5.954  -0.066  -1.072  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        6.468   0.174  -1.903  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1        6.545  -0.572   0.095  0.00  0.00    +0.325 A 
ATOM     12  O   LIG    1        7.729  -0.791   0.277  0.00  0.00    -0.247 OA
ATOM     13  C   LIG    1        3.597   0.474  -1.716  0.00  0.00    +0.029 A 
ATOM     14  N   LIG    1        5.505  -0.777   1.014  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1        5.648  -1.137   1.943  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1        2.284   0.460  -1.220  0.00  0.00    +0.025 A 
ENDBRANCH   3   5
BRANCH   2  17
ATOM     17  C   LIG    1       -1.708   0.167   0.936  0.00  0.00    +0.106 C 
ATOM     18  C   LIG    1       -3.050   0.605   0.409  0.00  0.00    -0.032 A 
ATOM     19  C   LIG    1       -4.035  -0.343   0.716  0.00  0.00    -0.043 A 
ATOM     20  C   LIG    1       -5.364  -0.133   0.385  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -5.705   1.049  -0.274  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.724   2.004  -0.578  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.457  -1.502   1.460  0.00  0.00    +0.036 C 
ATOM     24  C   LIG    1       -3.389   1.790  -0.228  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -1.962  -1.340   1.163  0.00  0.00    +0.022 C 
ENDBRANCH   2  17
TORSDOF 2