REMARK  Name = BDB013249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.890  -0.191   0.895  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1        1.826   0.635   1.495  0.00  0.00    +0.159 C 
ATOM      3  C   LIG    1        0.448   0.402   0.858  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1       -0.394   1.397   0.944  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -1.682   1.213   0.409  0.00  0.00    +0.077 A 
ATOM      6  C   LIG    1       -2.087   0.023  -0.199  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1       -3.359  -0.131  -0.723  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -3.695  -1.411  -1.357  0.00  0.00    +0.273 A 
ATOM      9  N   LIG    1       -2.693  -2.355  -1.379  0.00  0.00    -0.241 N 
ATOM     10  H   LIG    1       -2.906  -3.247  -1.813  0.00  0.00    +0.192 HD
ATOM     11  N   LIG    1       -1.437  -2.213  -0.862  0.00  0.00    -0.152 NA
ATOM     12  O   LIG    1       -4.804  -1.613  -1.837  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1       -4.277   0.918  -0.644  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1       -3.895   2.117  -0.037  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -1.122  -1.084  -0.286  0.00  0.00    +0.165 A 
ATOM     16  C   LIG    1       -2.604   2.260   0.485  0.00  0.00    +0.028 A 
ATOM     17  N   LIG    1        0.127  -0.831   0.277  0.00  0.00    -0.310 N 
ATOM     18  C   LIG    1        1.169  -1.849   0.072  0.00  0.00    +0.140 C 
ATOM     19  C   LIG    1        2.438  -1.591   0.894  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1  21
ATOM     20  C   LIG    1        4.107   1.555  -0.392  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1        3.291   0.268  -0.443  0.00  0.00    +0.081 C 
ENDBRANCH   1  21
TORSDOF 1