REMARK  Name = BDB017258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.358  -0.575   2.452  0.00  0.00    +0.170 C 
ATOM      2  O   LIG    1       -0.358  -0.086   3.586  0.00  0.00    -0.291 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        4.297   0.940  -1.873  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        4.371   0.440  -0.572  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.203   0.191   0.173  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        1.939   0.451  -0.406  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        0.771   0.205   0.335  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        0.848  -0.313   1.629  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        2.097  -0.550   2.210  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        1.877   0.953  -1.713  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        3.265  -0.306   1.484  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        3.046   1.193  -2.437  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        6.657   1.003  -2.158  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        5.357   1.220  -2.691  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -1.545  -1.418   1.930  0.00  0.00    +0.043 C 
ATOM     16  C   LIG    1       -2.654  -0.466   1.402  0.00  0.00    +0.099 C 
ATOM     17  N   LIG    1       -2.605  -0.322  -0.061  0.00  0.00    -0.301 NA
ATOM     18  C   LIG    1       -2.891  -1.600  -0.735  0.00  0.00    +0.084 C 
ATOM     19  C   LIG    1       -2.351  -2.835  -0.003  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -1.159  -2.494   0.885  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1       -2.118  -2.154   3.171  0.00  0.00    +0.021 C 
BRANCH  17  22
ATOM     22  C   LIG    1       -3.511   0.725  -0.557  0.00  0.00    +0.088 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.930   2.088  -0.314  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -1.855   2.639  -1.217  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -3.239   3.223  -1.260  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH   1  15
TORSDOF 5