REMARK  Name = BDB017160
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.262  -0.378   0.691  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        2.332  -0.872   1.448  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        3.658  -0.486   1.189  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.945   0.425   0.142  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1        5.301   0.802  -0.103  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1        6.330   0.261   0.701  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        6.019  -0.636   1.728  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        5.620   1.775  -1.218  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1        2.849   0.914  -0.605  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        4.698  -1.004   1.968  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        1.530   0.523  -0.338  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -0.121  -0.841   1.034  0.00  0.00    +0.167 C 
ATOM     13  O   LIG    1       -0.277  -1.512   2.054  0.00  0.00    -0.292 OA
BRANCH  12  16
ATOM     14  N   LIG    1       -3.807  -0.355   0.034  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1       -2.626  -0.715   0.842  0.00  0.00    +0.095 C 
ATOM     16  C   LIG    1       -1.290  -0.491   0.115  0.00  0.00    +0.074 C 
ATOM     17  C   LIG    1       -1.231  -1.328  -1.173  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1       -2.619  -1.680  -1.709  0.00  0.00    +0.016 C 
ATOM     19  C   LIG    1       -3.619  -0.566  -1.409  0.00  0.00    +0.084 C 
BRANCH  14  20
ATOM     20  C   LIG    1       -4.302   0.992   0.350  0.00  0.00    +0.084 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -6.777   0.396   0.174  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -5.664   1.332  -0.273  0.00  0.00    +0.012 C 
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH  12  16
ENDBRANCH   1  12
BRANCH   6  23
ATOM     23  C   LIG    1        7.714   0.598   0.509  0.00  0.00    +0.099 C 
ATOM     24  N   LIG    1        8.833   0.866   0.359  0.00  0.00    -0.191 NA
ENDBRANCH   6  23
TORSDOF 5