REMARK  Name = BDB025311
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.108  -0.046  -0.193  0.00  0.00    -0.322 N 
ATOM      2  C   LIG    1       -0.721  -1.259  -0.144  0.00  0.00    +0.089 A 
ATOM      3  C   LIG    1       -2.046  -1.069  -0.168  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -2.821  -2.226  -0.127  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.971  -3.325  -0.068  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -2.357   0.288  -0.221  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -3.537   1.053  -0.257  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -3.449   2.447  -0.297  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.209   3.080  -0.301  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -1.019   2.344  -0.266  0.00  0.00    +0.026 A 
ATOM     11  S   LIG    1       -0.288  -2.868  -0.061  0.00  0.00    -0.079 S 
ATOM     12  C   LIG    1       -1.104   0.942  -0.229  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  19
ATOM     13  O   LIG    1        5.266  -0.976   0.356  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        4.076  -0.691   0.270  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1        3.329  -1.075  -0.814  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        3.837  -1.573  -1.535  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        2.099  -0.587  -1.191  0.00  0.00    +0.242 C 
ATOM     18  O   LIG    1        1.718  -0.726  -2.352  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1        1.331   0.202  -0.138  0.00  0.00    +0.175 C 
ATOM     20  C   LIG    1        1.879  -0.050   1.269  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        3.381   0.180   1.288  0.00  0.00    +0.099 C 
ENDBRANCH   1  19
TORSDOF 1