REMARK  Name = BDB017237
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.542   0.355  -2.034  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.711   0.191  -3.244  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.856   0.264  -1.520  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        1.185  -0.298  -0.284  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        2.524  -0.358   0.146  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        3.550   0.143  -0.688  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        4.888   0.082  -0.256  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        5.215  -0.467   0.985  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        4.197  -0.960   1.801  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        3.210   0.686  -1.935  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        2.864  -0.909   1.389  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        1.877   0.741  -2.349  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  O   LIG    1        6.472  -0.579   1.511  0.00  0.00    -0.495 OA
ATOM     14  C   LIG    1        7.550  -0.104   0.716  0.00  0.00    +0.277 C 
ENDBRANCH   8  13
ENDBRANCH   1   3
BRANCH   1  16
ATOM     15  C   LIG    1       -1.501   1.624   0.042  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -1.739   0.631  -1.119  0.00  0.00    +0.077 C 
ATOM     17  C   LIG    1       -2.337  -0.712  -0.664  0.00  0.00    +0.096 C 
ATOM     18  N   LIG    1       -3.535  -0.524   0.164  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1       -3.256   0.312   1.335  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -2.766   1.697   0.915  0.00  0.00    +0.019 C 
BRANCH  18  21
ATOM     21  C   LIG    1       -4.262  -1.739   0.591  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -4.643  -2.649  -0.590  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -3.502  -3.609  -0.198  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -3.369  -2.865   1.144  0.00  0.00    +0.019 C 
ENDBRANCH  18  21
BRANCH  15  26
ATOM     25  C   LIG    1       -0.731   4.007   0.604  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -1.110   3.020  -0.492  0.00  0.00    +0.001 C 
ENDBRANCH  15  26
ENDBRANCH   1  16
TORSDOF 5