REMARK  Name = BDB053791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.431   2.643   0.347  0.00  0.00    +0.070 C 
ATOM      2  C   LIG    1       -1.811   1.214   0.260  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -0.973   0.082   0.079  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -1.846  -0.983   0.070  0.00  0.00    +0.142 A 
ATOM      5  C   LIG    1       -1.702  -2.446  -0.054  0.00  0.00    +0.090 C 
ATOM      6  O   LIG    1       -3.116  -0.520   0.225  0.00  0.00    -0.359 OA
ATOM      7  N   LIG    1       -3.099   0.856   0.348  0.00  0.00    -0.083 NA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.465  -0.022  -0.050  0.00  0.00    -0.013 A 
ATOM      9  C   LIG    1        1.296   0.470   0.963  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        2.684   0.377   0.841  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.248  -0.205  -0.294  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        2.425  -0.695  -1.308  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        1.037  -0.603  -1.188  0.00  0.00    +0.008 A 
ENDBRANCH   3   8
TORSDOF 1