REMARK  Name = BDB017139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.608  -0.161  -0.739  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        4.631   0.680  -0.161  0.00  0.00    -0.001 A 
ATOM      3  C   LIG    1        4.947   2.134   0.108  0.00  0.00    +0.048 C 
ATOM      4  C   LIG    1        3.345   0.157   0.176  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1        3.069  -1.206  -0.084  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.811  -1.747   0.233  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        0.801  -0.960   0.801  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1        1.066   0.377   1.079  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        4.054  -2.016  -0.658  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.316   0.925   0.766  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        5.309  -1.501  -0.982  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1        7.827  -0.400  -1.600  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        6.816   0.420  -1.028  0.00  0.00    -0.495 OA
ENDBRANCH   1  13
BRANCH   7  14
ATOM     14  C   LIG    1       -0.502  -1.621   1.108  0.00  0.00    +0.167 C 
ATOM     15  O   LIG    1       -0.487  -2.822   1.387  0.00  0.00    -0.292 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -1.823  -0.858   1.089  0.00  0.00    +0.074 C 
ATOM     17  C   LIG    1       -1.994   0.057  -0.131  0.00  0.00    +0.095 C 
ATOM     18  N   LIG    1       -3.312   0.710  -0.212  0.00  0.00    -0.301 NA
ATOM     19  C   LIG    1       -3.930   0.961   1.100  0.00  0.00    +0.084 C 
ATOM     20  C   LIG    1       -2.900   1.141   2.216  0.00  0.00    +0.016 C 
ATOM     21  C   LIG    1       -2.095  -0.142   2.416  0.00  0.00    +0.014 C 
BRANCH  18  22
ATOM     22  C   LIG    1       -4.218  -0.001  -1.123  0.00  0.00    +0.088 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.410   0.847  -1.457  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -6.728   0.668  -0.742  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -6.587   0.232  -2.173  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH  18  22
ENDBRANCH  14  16
ENDBRANCH   7  14
TORSDOF 5