REMARK  Name = BDB029487
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.612  -0.524  -1.811  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.577  -0.299  -1.192  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.591   0.490  -1.725  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -3.759   0.750  -2.688  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.260   0.418  -1.388  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -1.398   0.672  -2.224  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.965   0.020   0.057  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -0.475  -0.297   0.264  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1        0.124   0.942   0.751  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        1.474   1.259   0.825  0.00  0.00    +0.265 C 
ATOM     11  O   LIG    1        1.847   2.405   1.087  0.00  0.00    -0.268 OA
ATOM     12  C   LIG    1       -0.874   1.974   0.935  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -2.194   1.221   0.994  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -2.855  -1.181   0.395  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -4.327  -0.849   0.192  0.00  0.00    +0.097 C 
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1        2.526   0.212   0.584  0.00  0.00    +0.128 A 
ATOM     17  N   LIG    1        2.181  -1.099   0.698  0.00  0.00    -0.250 NA
ATOM     18  C   LIG    1        3.145  -2.024   0.507  0.00  0.00    +0.114 A 
ATOM     19  C   LIG    1        4.455  -1.711   0.209  0.00  0.00    +0.052 A 
ATOM     20  C   LIG    1        4.783  -0.359   0.105  0.00  0.00    +0.130 A 
ATOM     21  C   LIG    1        3.817   0.628   0.296  0.00  0.00    +0.065 A 
BRANCH  20  22
ATOM     22  N   LIG    1        6.162   0.025  -0.207  0.00  0.00    +0.057 N 
ATOM     23  O   LIG    1        6.409   1.231  -0.341  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1        6.998  -0.882  -0.319  0.00  0.00    -0.126 OA
ENDBRANCH  20  22
ENDBRANCH  10  16
TORSDOF 2