REMARK  Name = BDB057226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.266   0.035   0.159  0.00  0.00    +0.089 A 
ATOM      2  N   LIG    1       -0.547   1.065  -0.316  0.00  0.00    -0.232 NA
ATOM      3  C   LIG    1       -1.763   0.637  -0.110  0.00  0.00    +0.110 A 
ATOM      4  C   LIG    1       -3.134   1.129  -0.342  0.00  0.00    +0.076 C 
ATOM      5  C   LIG    1       -3.962  -0.169  -0.156  0.00  0.00    +0.029 C 
ATOM      6  C   LIG    1       -3.096  -1.108   0.706  0.00  0.00    +0.123 C 
ATOM      7  N   LIG    1       -1.767  -0.591   0.469  0.00  0.00    -0.334 N 
ATOM      8  C   LIG    1       -0.504  -1.013   0.651  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        4.528   0.292   0.008  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        3.925  -0.843   0.546  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        2.531  -0.939   0.602  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        1.721   0.099   0.118  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        2.345   1.234  -0.420  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        3.738   1.332  -0.476  0.00  0.00    +0.001 A 
ENDBRANCH   1  12
TORSDOF 1