REMARK  Name = BDB017232
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.114   1.362  -0.075  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.134   2.065  -1.083  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.160   0.654   0.236  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        1.923   0.169  -0.833  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        3.126  -0.516  -0.604  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        3.573  -0.706   0.722  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        4.777  -1.393   0.946  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        5.538  -1.891  -0.116  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        5.093  -1.701  -1.422  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        2.807  -0.201   1.785  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        3.896  -1.018  -1.664  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        1.609   0.478   1.547  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  O   LIG    1        6.684  -2.538   0.257  0.00  0.00    -0.495 OA
ATOM     14  C   LIG    1        7.500  -3.054  -0.787  0.00  0.00    +0.277 C 
ENDBRANCH   8  13
ENDBRANCH   1   3
BRANCH   1  16
ATOM     15  C   LIG    1       -2.572   2.018   0.493  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -1.315   1.192   0.872  0.00  0.00    +0.077 C 
ATOM     17  C   LIG    1       -1.710  -0.295   0.969  0.00  0.00    +0.096 C 
ATOM     18  N   LIG    1       -2.253  -0.795  -0.307  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1       -3.482  -0.057  -0.652  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -3.231   1.450  -0.774  0.00  0.00    +0.019 C 
BRANCH  18  21
ATOM     21  C   LIG    1       -2.557  -2.231  -0.189  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -2.804  -2.842  -1.595  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -1.942  -4.037  -1.137  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -1.237  -3.052  -0.181  0.00  0.00    +0.019 C 
ENDBRANCH  18  21
BRANCH  15  25
ATOM     25  C   LIG    1       -2.300   3.534   0.413  0.00  0.00    +0.004 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -3.271   5.861   0.446  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -3.583   4.372   0.429  0.00  0.00    -0.003 C 
ENDBRANCH  25  27
ENDBRANCH  15  25
ENDBRANCH   1  16
TORSDOF 6