REMARK  Name = BDB003246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.817   2.070  -1.123  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1        2.203   0.800  -0.664  0.00  0.00    +0.061 A 
ATOM      3  N   LIG    1        0.904   0.754  -0.360  0.00  0.00    -0.169 NA
ATOM      4  N   LIG    1        0.667  -0.533   0.024  0.00  0.00    -0.200 N 
ATOM      5  C   LIG    1       -0.630  -0.915   0.452  0.00  0.00    +0.279 C 
ATOM      6  O   LIG    1       -0.768  -2.055   0.902  0.00  0.00    -0.265 OA
ATOM      7  C   LIG    1        1.831  -1.292  -0.043  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        1.902  -2.732   0.313  0.00  0.00    +0.066 C 
ATOM      9  C   LIG    1        2.825  -0.448  -0.486  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -1.842  -0.048   0.420  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -2.833  -0.271   1.381  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1       -3.971   0.513   1.344  0.00  0.00    +0.111 A 
ATOM     13  N   LIG    1       -4.182   1.479   0.426  0.00  0.00    -0.263 NA
ATOM     14  C   LIG    1       -3.217   1.664  -0.501  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1       -2.045   0.930  -0.551  0.00  0.00    +0.033 A 
ENDBRANCH   5  10
TORSDOF 1