REMARK  Name = BDB026713
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.717   1.083  -0.657  0.00  0.00    -0.308 N 
ATOM      2  H   LIG    1        0.257   1.953  -0.892  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.065   0.053  -0.190  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1        0.370  -0.979   0.301  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.538   0.261  -0.269  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -2.346  -0.340   0.707  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -3.737  -0.181   0.667  0.00  0.00    -0.025 A 
ATOM      8  C   LIG    1       -4.613  -0.727   1.760  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1       -6.006  -1.045   1.241  0.00  0.00    +0.101 C 
ATOM     10  C   LIG    1       -6.577   0.086   0.416  0.00  0.00    +0.218 C 
ATOM     11  N   LIG    1       -5.696   0.762  -0.386  0.00  0.00    -0.285 N 
ATOM     12  H   LIG    1       -6.112   1.420  -1.032  0.00  0.00    +0.155 HD
ATOM     13  O   LIG    1       -7.780   0.334   0.381  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -4.311   0.585  -0.353  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -3.514   1.187  -1.326  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -2.127   1.016  -1.292  0.00  0.00    +0.015 A 
ENDBRANCH   3   5
BRANCH   1  22
ATOM     17  C   LIG    1        6.204  -0.587   1.312  0.00  0.00    +0.109 C 
ATOM     18  C   LIG    1        5.431  -0.948   0.070  0.00  0.00    +0.212 C 
ATOM     19  N   LIG    1        4.047  -0.919   0.156  0.00  0.00    -0.302 N 
ATOM     20  C   LIG    1        3.257  -1.197  -1.035  0.00  0.00    +0.109 C 
ATOM     21  C   LIG    1        2.800   0.110  -1.674  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        2.182   1.111  -0.681  0.00  0.00    +0.076 C 
ATOM     23  C   LIG    1        2.828   1.122   0.717  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1        3.293  -0.247   1.208  0.00  0.00    +0.109 C 
ATOM     25  O   LIG    1        6.031  -1.252  -0.962  0.00  0.00    -0.276 OA
ENDBRANCH   1  22
TORSDOF 2