REMARK  Name = BDB029526
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.011  -1.346   0.469  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -4.967  -0.808   0.150  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.836  -0.753   0.925  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -3.822  -1.157   1.854  0.00  0.00    +0.151 HD
ATOM      5  C   LIG    1       -2.750  -0.023   0.293  0.00  0.00    +0.115 C 
ATOM      6  C   LIG    1       -2.413   1.244   1.085  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -1.154   1.920   0.550  0.00  0.00    +0.110 C 
ATOM      8  N   LIG    1       -0.056   0.967   0.460  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1        0.807   0.863   1.559  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        0.568   1.429   2.624  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -0.320  -0.160  -0.434  0.00  0.00    +0.110 C 
ATOM     12  C   LIG    1       -1.544  -0.938   0.053  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -3.452   0.325  -1.037  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1       -2.962   0.942  -1.970  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -4.719  -0.166  -1.013  0.00  0.00    -0.238 N 
ATOM     16  H   LIG    1       -5.390  -0.071  -1.755  0.00  0.00    +0.159 HD
ENDROOT
BRANCH   9  17
ATOM     17  C   LIG    1        2.008   0.062   1.405  0.00  0.00    +0.082 A 
ATOM     18  C   LIG    1        2.930  -0.036   0.315  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1        3.907  -0.938   0.724  0.00  0.00    +0.136 A 
ATOM     20  C   LIG    1        4.992  -1.328  -0.057  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        5.090  -0.751  -1.327  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        4.142   0.172  -1.773  0.00  0.00    +0.001 A 
ATOM     23  O   LIG    1        3.655  -1.369   1.990  0.00  0.00    -0.462 OA
ATOM     24  C   LIG    1        3.059   0.544  -0.964  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        2.527  -0.739   2.403  0.00  0.00    +0.209 A 
ENDBRANCH   9  17
TORSDOF 1