REMARK  Name = BDB017251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.619   0.730   0.531  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1        0.464   1.123   1.687  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.984   0.267   0.116  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        3.038   0.420   1.029  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        4.347   0.016   0.717  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        4.622  -0.575  -0.539  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        5.953  -0.975  -0.803  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1        6.977  -0.767   0.118  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        6.694  -0.179   1.345  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        3.553  -0.712  -1.453  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        5.386   0.203   1.644  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        2.253  -0.300  -1.130  0.00  0.00    +0.012 A 
BRANCH   7  13
ATOM     13  O   LIG    1        6.327  -1.597  -1.966  0.00  0.00    -0.506 OA
ATOM     14  H   LIG    1        5.557  -2.067  -2.322  0.00  0.00    +0.292 HD
ENDBRANCH   7  13
ENDBRANCH   1   3
BRANCH   1  17
ATOM     15  C   LIG    1       -1.141   3.169  -0.080  0.00  0.00    +0.008 C 
ATOM     16  C   LIG    1       -1.647   1.730  -0.190  0.00  0.00    -0.001 C 
ATOM     17  C   LIG    1       -0.536   0.699  -0.479  0.00  0.00    +0.077 C 
ATOM     18  C   LIG    1       -1.110  -0.735  -0.587  0.00  0.00    +0.096 C 
ATOM     19  N   LIG    1       -2.382  -1.007   0.105  0.00  0.00    -0.301 NA
ATOM     20  C   LIG    1       -2.517  -0.168   1.299  0.00  0.00    +0.084 C 
ATOM     21  C   LIG    1       -2.519   1.338   1.014  0.00  0.00    +0.019 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -3.539  -0.970  -0.793  0.00  0.00    +0.088 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.737  -1.604  -0.146  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -5.834  -0.767   0.466  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -6.085  -1.508  -0.816  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   1  17
TORSDOF 5