REMARK  Name = BDB000742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.493   0.129  -0.340  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        4.550   1.154  -0.459  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        3.197   0.807  -0.364  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        2.769  -0.513  -0.152  0.00  0.00    +0.003 A 
ATOM      5  C   LIG    1        1.345  -0.495  -0.112  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        0.349  -1.619   0.001  0.00  0.00    +0.042 C 
ATOM      7  C   LIG    1       -1.058  -1.178   0.499  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -1.449   0.203   0.067  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.505   1.200  -0.268  0.00  0.00    +0.112 A 
ATOM     10  N   LIG    1       -1.040   2.391  -0.519  0.00  0.00    -0.172 NA
ATOM     11  N   LIG    1       -2.362   2.149  -0.380  0.00  0.00    -0.280 N 
ATOM     12  H   LIG    1       -3.012   2.913  -0.526  0.00  0.00    +0.189 HD
ATOM     13  C   LIG    1       -2.652   0.857  -0.029  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1        0.974   0.820  -0.282  0.00  0.00    +0.071 A 
ATOM     15  C   LIG    1        3.743  -1.526  -0.043  0.00  0.00    +0.010 A 
ATOM     16  N   LIG    1        2.069   1.597  -0.458  0.00  0.00    -0.353 N 
ATOM     17  H   LIG    1        2.051   2.595  -0.613  0.00  0.00    +0.166 HD
ATOM     18  C   LIG    1        5.098  -1.191  -0.136  0.00  0.00    +0.001 A 
ENDROOT
BRANCH  13  19
ATOM     19  C   LIG    1       -4.055   0.282   0.258  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -4.577  -0.830  -0.611  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1       -5.169   0.545  -0.720  0.00  0.00    +0.010 C 
ENDBRANCH  13  19
TORSDOF 1