REMARK  Name = BDB056526
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.222  -0.935  -0.046  0.00  0.00    +0.073 A 
ATOM      2  N   LIG    1        1.182   0.018  -0.067  0.00  0.00    -0.229 NA
ATOM      3  C   LIG    1        2.450  -0.419  -0.205  0.00  0.00    +0.149 A 
ATOM      4  C   LIG    1        2.836  -1.753  -0.315  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1        4.242  -1.779  -0.444  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        4.682  -0.476  -0.411  0.00  0.00    +0.098 A 
ATOM      7  C   LIG    1        1.831  -2.728  -0.278  0.00  0.00    +0.013 A 
ATOM      8  N   LIG    1        3.592   0.380  -0.241  0.00  0.00    -0.255 N 
ATOM      9  C   LIG    1        3.619   1.790  -0.137  0.00  0.00    +0.317 C 
ATOM     10  O   LIG    1        2.608   2.475  -0.133  0.00  0.00    -0.249 OA
ATOM     11  N   LIG    1        4.878   2.319  -0.017  0.00  0.00    -0.311 N 
ATOM     12  H   LIG    1        5.672   1.781   0.296  0.00  0.00    +0.147 HD
ATOM     13  H   LIG    1        4.903   3.312   0.178  0.00  0.00    +0.147 HD
ATOM     14  C   LIG    1        0.510  -2.298  -0.138  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1       -3.805   0.590   0.407  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1       -3.584  -0.610  -0.263  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -2.280  -1.106  -0.416  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -1.163  -0.423   0.100  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -1.413   0.793   0.760  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1       -2.712   1.289   0.915  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -6.160   0.519   0.098  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -5.018   1.181   0.626  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH   1  18
TORSDOF 2