REMARK  Name = BDB004100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.538  -1.256  -0.211  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        3.572  -0.607  -0.603  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1        2.426  -1.236  -1.005  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1        2.680  -2.221  -1.050  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1        1.355  -1.229  -0.156  0.00  0.00    +0.244 C 
ATOM      6  O   LIG    1        1.032  -2.284   0.396  0.00  0.00    -0.273 OA
ATOM      7  C   LIG    1        0.580   0.057   0.086  0.00  0.00    +0.195 C 
ATOM      8  C   LIG    1        1.157   1.344  -0.513  0.00  0.00    +0.037 C 
ATOM      9  C   LIG    1        2.560   1.650  -0.003  0.00  0.00    +0.012 C 
ATOM     10  C   LIG    1        3.628   0.891  -0.770  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   7  11
ATOM     11  N   LIG    1       -0.798  -0.144  -0.342  0.00  0.00    -0.232 N 
ATOM     12  C   LIG    1       -1.922  -0.277   0.431  0.00  0.00    +0.090 A 
ATOM     13  C   LIG    1       -2.937  -0.385  -0.514  0.00  0.00    +0.113 A 
ATOM     14  C   LIG    1       -4.265  -0.538  -0.092  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1       -4.529  -0.580   1.282  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -3.493  -0.474   2.213  0.00  0.00    +0.002 A 
ATOM     17  N   LIG    1       -2.405  -0.314  -1.774  0.00  0.00    -0.129 NA
ATOM     18  C   LIG    1       -2.162  -0.320   1.809  0.00  0.00    +0.029 A 
ATOM     19  N   LIG    1       -1.093  -0.168  -1.659  0.00  0.00    -0.064 NA
ENDBRANCH   7  11
TORSDOF 1