REMARK  Name = BDB017142
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.672  -1.094   0.145  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1       -4.477   0.242   0.558  0.00  0.00    -0.001 A 
ATOM      3  C   LIG    1       -5.647   1.056   1.065  0.00  0.00    +0.048 C 
ATOM      4  C   LIG    1       -3.176   0.827   0.500  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -2.092   0.052   0.023  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1       -0.797   0.601  -0.048  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -0.545   1.917   0.350  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1       -1.606   2.688   0.828  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -2.314  -1.270  -0.380  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.896   2.152   0.899  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -3.587  -1.837  -0.320  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -6.181  -2.925  -0.161  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -5.951  -1.579   0.234  0.00  0.00    -0.495 OA
ENDBRANCH   1  13
BRANCH   7  14
ATOM     14  C   LIG    1        0.816   2.545   0.298  0.00  0.00    +0.167 C 
ATOM     15  O   LIG    1        0.981   3.635   0.844  0.00  0.00    -0.292 OA
BRANCH  14  16
ATOM     16  C   LIG    1        1.958   1.816  -0.404  0.00  0.00    +0.074 C 
ATOM     17  C   LIG    1        2.648   0.879   0.594  0.00  0.00    +0.096 C 
ATOM     18  N   LIG    1        3.693   0.031  -0.015  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1        4.371   0.689  -1.150  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1        4.398   2.211  -1.023  0.00  0.00    +0.016 C 
ATOM     21  C   LIG    1        2.982   2.793  -1.011  0.00  0.00    +0.014 C 
BRANCH  18  22
ATOM     22  C   LIG    1        3.134  -1.258  -0.451  0.00  0.00    +0.057 C 
ATOM     23  C   LIG    1        4.279  -2.258  -0.771  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1        3.445  -3.321  -0.026  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1        2.835  -2.155   0.780  0.00  0.00    +0.019 C 
ENDBRANCH  18  22
ENDBRANCH  14  16
ENDBRANCH   7  14
TORSDOF 4