REMARK  Name = BDB057271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.472   0.362  -0.041  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -1.754   1.524  -0.331  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.354   1.526  -0.328  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        0.357   0.356  -0.037  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -0.371  -0.807   0.247  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -1.773  -0.808   0.243  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.813   0.311  -0.022  0.00  0.00    +0.089 A 
ATOM      8  N   LIG    1        2.527  -0.851   0.272  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1        3.779  -0.491   0.182  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1        5.098  -1.130   0.335  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1        6.028  -0.080  -0.327  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1        5.269   1.260  -0.266  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1        3.897   0.821  -0.144  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1        2.678   1.367  -0.289  0.00  0.00    +0.115 A 
ENDBRANCH   4   7
BRANCH   1  15
ATOM     15  O   LIG    1       -3.829   0.510  -0.085  0.00  0.00    -0.489 OA
BRANCH  15  17
ATOM     16  C   LIG    1       -4.967  -1.488  -0.847  0.00  0.00    +0.051 C 
ATOM     17  C   LIG    1       -4.664  -0.574   0.337  0.00  0.00    +0.167 C 
ATOM     18  C   LIG    1       -5.957   0.048   0.860  0.00  0.00    +0.051 C 
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 3