REMARK  Name = BDB046982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.091  -1.025  -0.069  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        1.538   0.293  -0.053  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1        0.146   0.177   0.111  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -0.689   1.313   0.173  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -2.162   1.296   0.368  0.00  0.00    +0.246 C 
ATOM      6  N   LIG    1       -2.909   0.172   0.142  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1       -3.903   0.348   0.241  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1       -2.488  -1.065  -0.476  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1       -1.428  -1.781   0.341  0.00  0.00    +0.140 C 
ATOM     10  O   LIG    1       -2.747   2.316   0.729  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -0.072   2.576   0.071  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        1.301   2.711  -0.097  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -0.117  -1.175   0.190  0.00  0.00    -0.344 N 
ATOM     14  C   LIG    1        2.111   1.579  -0.162  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        1.038  -1.901   0.086  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1  17
ATOM     16  O   LIG    1        3.865  -2.582  -0.228  0.00  0.00    -0.296 OA
ATOM     17  C   LIG    1        3.481  -1.416  -0.214  0.00  0.00    +0.260 C 
ENDBRANCH   1  17
TORSDOF 1