REMARK  Name = BDB052977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.338   0.288  -0.088  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1       -1.660   0.825  -0.540  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -2.812   0.201  -0.069  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -4.081   0.673  -0.436  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -4.199   1.766  -1.292  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.053   2.378  -1.791  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.699  -0.986   0.793  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1       -3.718  -1.506   1.242  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -1.414  -1.451   1.025  0.00  0.00    -0.230 N 
ATOM     10  C   LIG    1       -1.209  -2.608   1.875  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1       -1.787   1.909  -1.423  0.00  0.00    +0.012 A 
ATOM     12  N   LIG    1       -0.278  -0.798   0.634  0.00  0.00    -0.153 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        0.822   0.980  -0.435  0.00  0.00    -0.283 N 
ATOM     14  H   LIG    1        0.672   1.921  -0.772  0.00  0.00    +0.155 HD
BRANCH  13  20
ATOM     15  C   LIG    1        5.201  -1.256   0.481  0.00  0.00    +0.067 C 
ATOM     16  C   LIG    1        4.100  -0.333   0.119  0.00  0.00    +0.062 A 
ATOM     17  N   LIG    1        4.371   0.897  -0.335  0.00  0.00    -0.178 NA
ATOM     18  N   LIG    1        3.157   1.430  -0.551  0.00  0.00    -0.264 N 
ATOM     19  H   LIG    1        3.115   2.378  -0.900  0.00  0.00    +0.190 HD
ATOM     20  C   LIG    1        2.114   0.590  -0.259  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1        2.708  -0.571   0.180  0.00  0.00    +0.068 A 
ENDBRANCH  13  20
ENDBRANCH   1  13
TORSDOF 2