REMARK  Name = BDB059687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.441   0.522  -0.103  0.00  0.00    +0.183 A 
ATOM      2  C   LIG    1        2.078   0.329  -0.110  0.00  0.00    +0.156 A 
ATOM      3  N   LIG    1        1.903  -1.022  -0.327  0.00  0.00    -0.250 N 
ATOM      4  C   LIG    1        0.667  -1.660  -0.408  0.00  0.00    +0.263 A 
ATOM      5  C   LIG    1       -0.512  -0.756  -0.236  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -1.868  -1.397  -0.293  0.00  0.00    +0.042 C 
ATOM      7  C   LIG    1       -2.981  -0.482   0.219  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -2.805   0.940  -0.302  0.00  0.00    +0.006 C 
ATOM      9  C   LIG    1       -1.459   1.524   0.132  0.00  0.00    +0.054 C 
ATOM     10  C   LIG    1       -0.301   0.563  -0.029  0.00  0.00    +0.026 A 
ATOM     11  O   LIG    1        0.613  -2.864  -0.607  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        3.156  -1.571  -0.440  0.00  0.00    +0.210 A 
ATOM     13  N   LIG    1        0.976   1.102   0.035  0.00  0.00    -0.342 N 
ATOM     14  H   LIG    1        1.037   2.108   0.198  0.00  0.00    +0.167 HD
ATOM     15  N   LIG    1        4.107  -0.667  -0.310  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1  17
ATOM     16  N   LIG    1        4.664   2.779   0.242  0.00  0.00    -0.189 NA
ATOM     17  C   LIG    1        4.141   1.754   0.085  0.00  0.00    +0.123 C 
ENDBRANCH   1  17
TORSDOF 1