REMARK  Name = BDB052847
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.714  -0.836   0.830  0.00  0.00    +0.066 A 
ATOM      2  C   LIG    1        0.822  -2.037   0.071  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.473  -2.517  -0.143  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1       -0.690  -3.728  -0.833  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.410  -4.425  -1.340  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.700  -3.951  -1.150  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -1.359  -1.647   0.498  0.00  0.00    -0.312 N 
ATOM      8  C   LIG    1        1.918  -2.767  -0.441  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.637  -0.607   1.075  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        1.963   0.235   2.492  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        1.796   0.029   1.291  0.00  0.00    +0.249 C 
ATOM     12  N   LIG    1        2.605   0.611   0.321  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        3.731   1.430   0.760  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        4.746   1.673  -0.369  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        4.189   2.266  -1.597  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1        4.351   3.273  -1.598  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        2.740   2.026  -1.727  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        2.256   0.704  -1.103  0.00  0.00    +0.123 C 
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  C   LIG    1       -2.769  -1.825   0.547  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -3.481  -2.080  -0.632  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.864  -2.259  -0.582  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.534  -2.192   0.639  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.824  -1.949   1.815  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.441  -1.766   1.773  0.00  0.00    +0.026 A 
ENDBRANCH   7  19
BRANCH   9  25
ATOM     25  C   LIG    1       -1.246   0.601   1.737  0.00  0.00    +0.089 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.048   1.869   0.930  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -1.733   2.058  -0.279  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -1.549   3.225  -1.023  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -0.682   4.216  -0.564  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        0.002   4.040   0.637  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -0.178   2.873   1.380  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
ENDBRANCH   9  25
TORSDOF 4