REMARK  Name = BDB005543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.749   0.215   1.513  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -1.619  -0.512   1.882  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -0.478  -0.483   1.069  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -0.431   0.277  -0.110  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        0.817   0.276  -0.911  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1        0.912   1.095  -2.035  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1        0.349   1.938  -1.966  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        2.198   1.322  -2.685  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1        2.980   0.015  -2.730  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        3.124  -0.581  -1.326  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        1.845  -0.510  -0.533  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        1.779  -1.330   0.706  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1        2.715  -2.037   1.067  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -1.584   0.983  -0.477  0.00  0.00    +0.015 A 
ATOM     15  N   LIG    1        0.632  -1.249   1.441  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        0.611  -1.815   2.278  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -2.727   0.954   0.330  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -4.007  -0.458   3.417  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -3.928   0.279   2.203  0.00  0.00    -0.495 OA
ENDBRANCH   1  19
TORSDOF 1