REMARK  Name = BDB017841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.140   2.878   0.913  0.00  0.00    +0.017 C 
ATOM      2  C   LIG    1       -0.003   1.905  -0.251  0.00  0.00    +0.043 C 
ATOM      3  C   LIG    1       -1.294   1.123  -0.187  0.00  0.00    -0.032 A 
ATOM      4  C   LIG    1       -1.016  -0.257  -0.116  0.00  0.00    -0.000 A 
ATOM      5  C   LIG    1       -2.020  -1.192  -0.033  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -3.345  -0.708  -0.037  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -3.628   0.667  -0.122  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.798  -2.646   0.085  0.00  0.00    +0.272 A 
ATOM      9  O   LIG    1       -2.792  -3.369   0.218  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1       -0.571  -3.268   0.063  0.00  0.00    -0.242 N 
ATOM     11  H   LIG    1       -0.674  -4.277   0.141  0.00  0.00    +0.192 HD
ATOM     12  N   LIG    1        0.718  -2.896  -0.113  0.00  0.00    -0.175 NA
ATOM     13  C   LIG    1        1.160  -1.688  -0.203  0.00  0.00    +0.069 A 
ATOM     14  C   LIG    1        2.663  -1.547  -0.447  0.00  0.00    +0.058 C 
ATOM     15  C   LIG    1        3.229  -0.275   0.177  0.00  0.00    +0.011 C 
ATOM     16  C   LIG    1        2.479   0.979  -0.284  0.00  0.00    +0.032 C 
ATOM     17  C   LIG    1        0.408  -0.434  -0.151  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1       -2.595   1.597  -0.197  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        1.003   0.771  -0.216  0.00  0.00    -0.053 C 
ENDROOT
TORSDOF 0