REMARK  Name = BDB050180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.625  -2.392  -0.652  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1       -3.558  -1.747   0.161  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -3.336  -0.421   0.463  0.00  0.00    +0.167 A 
ATOM      4  O   LIG    1       -4.139   0.355   1.240  0.00  0.00    -0.453 OA
ATOM      5  C   LIG    1       -3.423   1.605   1.205  0.00  0.00    +0.466 C 
ATOM      6  O   LIG    1       -2.219   1.555   0.414  0.00  0.00    -0.452 OA
ATOM      7  C   LIG    1       -2.238   0.261  -0.012  0.00  0.00    +0.169 A 
ATOM      8  C   LIG    1       -1.291  -0.346  -0.821  0.00  0.00    -0.002 A 
ATOM      9  C   LIG    1       -1.501  -1.698  -1.138  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -0.082   0.392  -1.332  0.00  0.00    +0.043 C 
BRANCH  10  11
ATOM     11  C   LIG    1        1.219   0.023  -0.593  0.00  0.00    +0.007 C 
ATOM     12  C   LIG    1        2.432   0.641  -1.302  0.00  0.00    +0.084 C 
ATOM     13  N   LIG    1        3.719   0.265  -0.712  0.00  0.00    -0.316 NA
ATOM     14  H   LIG    1        4.143  -0.493  -1.247  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1        3.643  -0.129   0.695  0.00  0.00    +0.081 C 
ATOM     16  C   LIG    1        2.594   0.663   1.464  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1        1.193   0.462   0.883  0.00  0.00    +0.006 C 
ENDBRANCH  10  11
ENDBRANCH   8  10
TORSDOF 2