REMARK  Name = BDB017141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.997  -0.647  -0.202  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        4.856  -0.652  -1.034  0.00  0.00    -0.001 A 
ATOM      3  C   LIG    1        4.972  -1.094  -2.476  0.00  0.00    +0.048 C 
ATOM      4  C   LIG    1        3.590  -0.240  -0.516  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1        3.501   0.170   0.834  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        2.268   0.580   1.371  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        1.100   0.597   0.597  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1        1.176   0.197  -0.736  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        4.647   0.165   1.637  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.401  -0.214  -1.279  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        5.880  -0.238   1.126  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1        8.341  -1.064   0.032  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        7.172  -1.057  -0.778  0.00  0.00    -0.495 OA
ENDBRANCH   1  13
BRANCH   7  14
ATOM     14  C   LIG    1       -0.172   1.047   1.249  0.00  0.00    +0.167 C 
ATOM     15  O   LIG    1       -0.130   1.439   2.415  0.00  0.00    -0.292 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -1.479   1.028   0.460  0.00  0.00    +0.074 C 
ATOM     17  C   LIG    1       -2.677   0.900   1.420  0.00  0.00    +0.096 C 
ATOM     18  N   LIG    1       -3.988   0.930   0.738  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1       -4.112   2.182  -0.026  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -2.982   2.398  -1.037  0.00  0.00    +0.016 C 
ATOM     21  C   LIG    1       -1.611   2.309  -0.372  0.00  0.00    +0.014 C 
BRANCH  18  22
ATOM     22  C   LIG    1       -4.285  -0.277  -0.045  0.00  0.00    +0.057 C 
ATOM     23  C   LIG    1       -5.718  -0.316  -0.596  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1       -5.948  -1.778  -0.967  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -4.997  -2.589  -0.092  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -4.258  -1.575   0.775  0.00  0.00    +0.019 C 
ENDBRANCH  18  22
ENDBRANCH  14  16
ENDBRANCH   7  14
TORSDOF 4