REMARK  Name = BDB041974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.275   1.522   0.196  0.00  0.00    +0.051 C 
ATOM      2  C   LIG    1       -2.283   0.413   0.063  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -2.811  -0.952  -0.118  0.00  0.00    +0.257 A 
ATOM      4  O   LIG    1       -4.006  -1.176  -0.263  0.00  0.00    -0.267 OA
ATOM      5  N   LIG    1       -1.877  -1.943  -0.111  0.00  0.00    -0.274 N 
ATOM      6  H   LIG    1       -2.215  -2.879  -0.272  0.00  0.00    +0.173 HD
ATOM      7  C   LIG    1       -0.514  -1.787  -0.162  0.00  0.00    +0.334 A 
ATOM      8  O   LIG    1        0.167  -2.791  -0.364  0.00  0.00    -0.246 OA
ATOM      9  N   LIG    1       -0.039  -0.468  -0.016  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1       -0.955   0.575   0.105  0.00  0.00    +0.105 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        1.389  -0.214  -0.007  0.00  0.00    +0.069 A 
ATOM     12  C   LIG    1        2.333  -1.173   0.372  0.00  0.00    +0.137 A 
ATOM     13  N   LIG    1        3.678  -0.972   0.421  0.00  0.00    -0.261 NA
ATOM     14  C   LIG    1        4.126   0.245   0.062  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        3.292   1.271  -0.337  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        1.916   1.036  -0.368  0.00  0.00    +0.029 A 
ENDBRANCH   9  11
TORSDOF 1