REMARK  Name = BDB016309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.706  -1.601   2.508  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.274  -0.497   1.610  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.468  -0.436   0.401  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.504  -0.731   0.551  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.531   0.714  -0.410  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.676   1.535  -0.552  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.629   2.651  -1.416  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.502   2.949  -2.175  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.390   2.128  -2.088  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -3.923   1.382   0.090  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.611   2.106  -0.080  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.449   0.418   0.885  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.604   0.575   1.296  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.398   1.021  -1.227  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -3.695  -0.828   1.216  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.824   0.228  -1.175  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        1.860   0.223  -0.193  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        2.805  -0.726  -0.595  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1        3.962  -0.991   0.158  0.00  0.00    +0.045 A 
ATOM     20  C   LIG    1        4.156  -0.270   1.346  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1        3.224   0.682   1.763  0.00  0.00    +0.019 A 
ATOM     22  N   LIG    1        2.352  -1.266  -1.782  0.00  0.00    -0.349 N 
ATOM     23  C   LIG    1        3.033  -2.292  -2.542  0.00  0.00    +0.149 C 
ATOM     24  C   LIG    1        2.076   0.936   1.004  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        1.161  -0.696  -2.141  0.00  0.00    +0.095 A 
BRANCH  20  26
ATOM     26  C   LIG    1        5.327  -0.516   2.138  0.00  0.00    +0.099 C 
ATOM     27  N   LIG    1        6.275  -0.718   2.776  0.00  0.00    -0.191 NA
ENDBRANCH  20  26
ENDBRANCH  14  16
TORSDOF 2