REMARK  Name = BDB029371
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.125   0.085   0.196  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1       -0.903  -0.815   0.520  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -2.204  -0.413   0.293  0.00  0.00    +0.038 A 
ATOM      4  N   LIG    1       -3.364  -1.132   0.531  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1       -3.417  -2.065   0.910  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -4.492  -0.400   0.177  0.00  0.00    +0.222 C 
ATOM      7  C   LIG    1       -4.014   0.956  -0.356  0.00  0.00    +0.133 C 
ATOM      8  O   LIG    1       -5.647  -0.778   0.276  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -2.525   0.834  -0.235  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -1.533   1.737  -0.559  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -0.203   1.354  -0.339  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1        5.056  -0.327  -0.242  0.00  0.00    +0.172 C 
ATOM     13  N   LIG    1        3.691  -0.464   0.204  0.00  0.00    -0.274 N 
ATOM     14  N   LIG    1        3.414  -1.264   1.249  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1        2.089  -1.159   1.378  0.00  0.00    +0.142 A 
ATOM     16  C   LIG    1        1.510  -0.293   0.421  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        2.587   0.138  -0.328  0.00  0.00    +0.116 A 
ENDBRANCH   1  16
TORSDOF 1