REMARK  Name = BDB017236
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.202  -0.576   0.937  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.433  -1.783   0.973  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.224  -0.158   0.777  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        2.095  -1.027   0.105  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        3.447  -0.695  -0.077  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        3.934   0.528   0.432  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        5.287   0.856   0.245  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        6.157  -0.004  -0.432  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        5.672  -1.210  -0.931  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        3.058   1.385   1.115  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        4.327  -1.553  -0.754  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        1.714   1.045   1.292  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  O   LIG    1        7.443   0.450  -0.535  0.00  0.00    -0.495 OA
ATOM     14  C   LIG    1        8.371  -0.393  -1.206  0.00  0.00    +0.277 C 
ENDBRANCH   8  13
ENDBRANCH   1   3
BRANCH   1  16
ATOM     15  C   LIG    1       -1.341   1.494  -0.084  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -1.293   0.496   1.100  0.00  0.00    +0.077 C 
ATOM     17  C   LIG    1       -2.677  -0.138   1.367  0.00  0.00    +0.096 C 
ATOM     18  N   LIG    1       -3.324  -0.713   0.167  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1       -3.465   0.321  -0.869  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -2.094   0.866  -1.265  0.00  0.00    +0.019 C 
BRANCH  18  21
ATOM     21  C   LIG    1       -4.658  -1.250   0.528  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -5.215  -2.150  -0.614  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -4.507  -3.353   0.033  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -4.514  -2.563   1.353  0.00  0.00    +0.019 C 
ENDBRANCH  18  21
BRANCH  15  26
ATOM     25  C   LIG    1       -1.909   3.928  -0.685  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -1.942   2.841   0.381  0.00  0.00    +0.001 C 
ENDBRANCH  15  26
ENDBRANCH   1  16
TORSDOF 5