REMARK  Name = BDB016304
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.290  -1.493   1.193  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.849  -0.030   1.228  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.675   0.169   0.408  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.870   0.554   0.902  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.624   0.391  -0.967  0.00  0.00    +0.058 A 
ATOM      6  C   LIG    1       -2.734   0.411  -1.841  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.529   0.477  -3.236  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.256   0.566  -3.788  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.154   0.571  -2.950  0.00  0.00    +0.012 A 
ATOM     10  N   LIG    1       -4.095   0.391  -1.477  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.770   0.271  -2.223  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.716   0.613  -0.292  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.949   0.561  -0.252  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.322   0.466  -1.561  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1       -3.929   0.980   0.923  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.903   0.419  -0.747  0.00  0.00    +0.051 A 
ATOM     17  N   LIG    1        1.395  -0.723  -0.140  0.00  0.00    -0.347 N 
ATOM     18  C   LIG    1        0.816  -2.047  -0.232  0.00  0.00    +0.149 C 
ATOM     19  C   LIG    1        2.524  -0.405   0.574  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        3.353  -1.349   1.379  0.00  0.00    +0.053 C 
ATOM     21  C   LIG    1        4.321  -0.562   2.283  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1        4.985   0.612   1.541  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        3.949   1.628   1.025  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1        2.790   0.938   0.392  0.00  0.00    -0.026 A 
ATOM     25  C   LIG    1        1.774   1.455  -0.441  0.00  0.00    +0.031 A 
ENDBRANCH  14  16
TORSDOF 1