REMARK  Name = BDB044113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.107  -0.197  -0.029  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        0.957   0.899  -0.283  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        2.352   0.724  -0.254  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1        2.872  -0.533   0.027  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1        4.233  -0.378  -0.017  0.00  0.00    -0.277 N 
ATOM      6  H   LIG    1        4.941  -1.086   0.139  0.00  0.00    +0.189 HD
ATOM      7  N   LIG    1        4.635   0.873  -0.305  0.00  0.00    -0.181 NA
ATOM      8  C   LIG    1        2.070  -1.646   0.285  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        3.487   1.540  -0.450  0.00  0.00    +0.142 A 
ATOM     10  C   LIG    1        0.683  -1.450   0.250  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -4.156   0.287  -0.109  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.378   1.088   0.723  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.990   0.930   0.748  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -1.356  -0.032  -0.056  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1       -2.159  -0.829  -0.888  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -3.547  -0.672  -0.915  0.00  0.00    +0.001 A 
ENDBRANCH   1  14
TORSDOF 1