REMARK  Name = BDB000113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -5.626   0.562   1.538  0.00  0.00    -0.313 N 
ATOM      2  H   LIG    1       -5.645  -0.265   2.115  0.00  0.00    +0.146 HD
ATOM      3  H   LIG    1       -6.218   1.307   1.885  0.00  0.00    +0.146 HD
ATOM      4  C   LIG    1       -4.408   1.014   1.155  0.00  0.00    +0.300 C 
ATOM      5  N   LIG    1       -3.509   0.065   0.782  0.00  0.00    -0.275 N 
ATOM      6  C   LIG    1       -2.163   0.483   0.322  0.00  0.00    +0.150 C 
ATOM      7  C   LIG    1       -1.583  -0.807  -0.064  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1       -2.493  -1.849   0.100  0.00  0.00    +0.087 A 
ATOM      9  N   LIG    1       -2.016  -3.043  -0.230  0.00  0.00    -0.175 NA
ATOM     10  N   LIG    1       -0.749  -2.737  -0.624  0.00  0.00    -0.263 N 
ATOM     11  H   LIG    1       -0.125  -3.476  -0.941  0.00  0.00    +0.190 HD
ATOM     12  C   LIG    1       -0.444  -1.389  -0.539  0.00  0.00    +0.125 A 
ATOM     13  C   LIG    1       -3.790  -1.388   0.616  0.00  0.00    +0.167 C 
ATOM     14  O   LIG    1       -4.177   2.218   1.147  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  12  15
ATOM     15  N   LIG    1        0.772  -0.837  -0.881  0.00  0.00    -0.270 N 
ATOM     16  H   LIG    1        0.896   0.163  -0.758  0.00  0.00    +0.156 HD
ATOM     17  C   LIG    1        1.834  -1.613  -1.317  0.00  0.00    +0.223 C 
ATOM     18  O   LIG    1        1.775  -2.836  -1.462  0.00  0.00    -0.275 OA
BRANCH  17  19
ATOM     19  C   LIG    1        3.090  -0.839  -1.692  0.00  0.00    +0.131 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.374   0.374  -0.837  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1        3.260   1.665  -1.371  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        3.494   2.783  -0.569  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.846   2.621   0.769  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.967   1.342   1.308  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.734   0.222   0.509  0.00  0.00    +0.004 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  12  15
TORSDOF 3