REMARK  Name = BDB005544
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.723  -0.811   0.622  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.842   0.249   0.328  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1       -1.383   1.547   0.321  0.00  0.00    +0.054 A 
ATOM      4  N   LIG    1       -0.571   2.644   0.016  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -0.952   3.580   0.006  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        0.757   2.548  -0.281  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1        1.352   1.187  -0.266  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        2.825   1.086  -0.569  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        3.286  -0.352  -0.834  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        2.632  -1.325   0.140  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1        1.190  -1.160   0.067  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1        0.647  -1.825   0.623  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1        1.424   3.546  -0.539  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -2.731   1.785   0.615  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -3.571   0.721   0.933  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        0.608   0.101   0.026  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1       -3.066  -0.575   0.943  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -1.651  -2.793  -0.537  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -1.284  -2.115   0.668  0.00  0.00    -0.494 OA
ENDBRANCH   1  19
TORSDOF 1