REMARK  Name = BDB056540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.938   2.434  -0.976  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        3.937   3.417  -1.221  0.00  0.00    +0.147 HD
ATOM      3  H   LIG    1        4.727   2.108  -0.438  0.00  0.00    +0.147 HD
ATOM      4  C   LIG    1        2.697   1.858  -0.906  0.00  0.00    +0.317 C 
ATOM      5  N   LIG    1        2.700   0.536  -0.402  0.00  0.00    -0.255 N 
ATOM      6  C   LIG    1        1.571  -0.215  -0.075  0.00  0.00    +0.149 A 
ATOM      7  C   LIG    1        1.986  -1.453   0.410  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        0.997  -2.357   0.819  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -0.337  -1.959   0.708  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1       -0.653  -0.698   0.197  0.00  0.00    +0.073 A 
ATOM     11  C   LIG    1        3.396  -1.478   0.361  0.00  0.00    +0.030 A 
ATOM     12  N   LIG    1        0.290   0.192  -0.189  0.00  0.00    -0.229 NA
ATOM     13  C   LIG    1        3.811  -0.269  -0.148  0.00  0.00    +0.098 A 
ATOM     14  O   LIG    1        1.675   2.443  -1.230  0.00  0.00    -0.249 OA
ENDROOT
BRANCH  10  15
ATOM     15  C   LIG    1       -2.054  -0.226   0.053  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -2.354   1.149   0.099  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -3.665   1.620  -0.028  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -4.712   0.723  -0.211  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.446  -0.642  -0.274  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -3.132  -1.109  -0.146  0.00  0.00    +0.010 A 
ENDBRANCH  10  15
TORSDOF 1