REMARK  Name = BDB059104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.165  -0.235   0.066  0.00  0.00    -0.301 N 
ATOM      2  C   LIG    1       -0.784  -1.204   0.618  0.00  0.00    +0.110 C 
ATOM      3  C   LIG    1       -1.969  -1.425  -0.318  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1       -2.733  -0.118  -0.617  0.00  0.00    +0.048 C 
ATOM      5  C   LIG    1       -3.941   0.084   0.270  0.00  0.00    -0.023 A 
ATOM      6  C   LIG    1       -5.045   0.408  -0.520  0.00  0.00    -0.029 A 
ATOM      7  C   LIG    1       -6.286   0.670   0.037  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -6.418   0.590   1.423  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -5.314   0.263   2.225  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -4.639   0.453  -1.952  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1       -4.065   0.011   1.650  0.00  0.00    +0.006 A 
ATOM     12  N   LIG    1       -3.316  -0.214  -2.002  0.00  0.00    -0.303 NA
ATOM     13  H   LIG    1       -3.510  -1.200  -2.182  0.00  0.00    +0.123 HD
ATOM     14  C   LIG    1       -1.802   1.108  -0.536  0.00  0.00    +0.046 C 
ATOM     15  C   LIG    1       -0.372   0.734  -0.904  0.00  0.00    +0.110 C 
ENDROOT
BRANCH   1  25
ATOM     16  O   LIG    1        3.703  -1.791   2.606  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        3.322  -1.168   1.620  0.00  0.00    +0.256 A 
ATOM     18  C   LIG    1        4.254  -0.492   0.701  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        5.725  -0.632   0.949  0.00  0.00    +0.042 C 
ATOM     20  C   LIG    1        6.572  -0.164  -0.235  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1        6.026   1.133  -0.822  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1        4.579   0.959  -1.290  0.00  0.00    +0.056 C 
ATOM     23  C   LIG    1        3.710   0.207  -0.308  0.00  0.00    +0.053 A 
ATOM     24  N   LIG    1        2.360   0.315  -0.533  0.00  0.00    -0.220 NA
ATOM     25  C   LIG    1        1.534  -0.308   0.254  0.00  0.00    +0.198 A 
ATOM     26  N   LIG    1        2.002  -1.048   1.306  0.00  0.00    -0.295 N 
ATOM     27  H   LIG    1        1.366  -1.472   1.956  0.00  0.00    +0.172 HD
ENDBRANCH   1  25
TORSDOF 1