REMARK  Name = BDB031250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.802  -0.249   1.900  0.00  0.00    -0.247 OA
ATOM      2  C   LIG    1        4.743  -0.087   1.321  0.00  0.00    +0.325 A 
ATOM      3  N   LIG    1        3.597  -0.888   1.429  0.00  0.00    -0.306 N 
ATOM      4  H   LIG    1        3.538  -1.704   2.016  0.00  0.00    +0.170 HD
ATOM      5  C   LIG    1        2.606  -0.364   0.607  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1        3.123   0.767  -0.021  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        2.386   1.517  -0.903  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        1.075   1.088  -1.147  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        0.532  -0.063  -0.511  0.00  0.00    -0.015 A 
ATOM     10  C   LIG    1        1.323  -0.806   0.386  0.00  0.00    +0.036 A 
ATOM     11  N   LIG    1        4.432   0.938   0.416  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1        5.077   1.663   0.148  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -0.851  -0.478  -0.796  0.00  0.00    -0.009 A 
ATOM     14  C   LIG    1       -1.959  -0.021  -0.024  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -3.265  -0.457  -0.346  0.00  0.00    +0.072 A 
ATOM     16  N   LIG    1       -4.357  -0.069   0.337  0.00  0.00    -0.255 NA
ATOM     17  C   LIG    1       -4.194   0.775   1.377  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -2.970   1.264   1.781  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -3.438  -1.324  -1.414  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1       -2.364  -1.778  -2.177  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -1.845   0.861   1.073  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -1.077  -1.356  -1.868  0.00  0.00    +0.009 A 
ENDBRANCH   9  13
TORSDOF 1