REMARK  Name = BDB017241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.029   0.017  -0.769  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.107   0.526  -1.886  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        6.306   0.154   0.834  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        5.171  -0.077   1.618  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.882  -0.058   1.059  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        3.733   0.199  -0.320  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.446   0.218  -0.881  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.308  -0.019  -0.095  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        1.462  -0.266   1.271  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.877   0.430  -1.099  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        2.740  -0.287   1.841  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        6.154   0.408  -0.527  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        8.675   0.335   0.765  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        7.490   0.104   1.516  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -1.254  -0.553  -0.049  0.00  0.00    +0.078 C 
ATOM     16  C   LIG    1       -2.261  -1.238  -1.009  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1       -3.072  -0.199  -1.815  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1       -3.279   1.131  -1.085  0.00  0.00    +0.085 C 
ATOM     19  N   LIG    1       -3.280   0.921   0.370  0.00  0.00    -0.299 NA
ATOM     20  C   LIG    1       -1.909   0.569   0.792  0.00  0.00    +0.096 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -3.699   2.159   1.046  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -5.236   2.342   0.909  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -5.236   2.752   2.397  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -3.971   1.881   2.550  0.00  0.00    +0.019 C 
ENDBRANCH  19  21
BRANCH  16  25
ATOM     25  C   LIG    1       -1.649  -2.345  -1.922  0.00  0.00    -0.013 C 
ATOM     26  C   LIG    1       -0.876  -3.400  -1.122  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -2.727  -3.054  -2.753  0.00  0.00    +0.007 C 
ENDBRANCH  16  25
ENDBRANCH   1  15
TORSDOF 5