REMARK  Name = BDB036943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.392   0.190   0.564  0.00  0.00    +0.144 C 
ATOM      2  C   LIG    1        1.981   1.596   0.299  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1        1.426   2.655   0.590  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        3.244   1.628  -0.249  0.00  0.00    -0.255 N 
ATOM      5  H   LIG    1        3.633   2.550  -0.392  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1        4.056   0.573  -0.575  0.00  0.00    +0.219 C 
ATOM      7  O   LIG    1        5.197   0.755  -0.992  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        3.499  -0.806  -0.329  0.00  0.00    +0.098 C 
ATOM      9  C   LIG    1        1.982  -0.812  -0.437  0.00  0.00    +0.037 C 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -4.318  -0.350   0.253  0.00  0.00    +0.105 C 
ATOM     11  N   LIG    1       -2.879  -0.534   0.074  0.00  0.00    -0.303 NA
ATOM     12  C   LIG    1       -2.225  -0.811   1.368  0.00  0.00    +0.099 C 
ATOM     13  C   LIG    1       -0.690  -0.948   1.226  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1       -0.083   0.243   0.608  0.00  0.00    -0.289 NA
ATOM     15  C   LIG    1       -0.739   0.528  -0.681  0.00  0.00    +0.100 C 
ATOM     16  C   LIG    1       -2.272   0.670  -0.527  0.00  0.00    +0.099 C 
ENDBRANCH   1  14
TORSDOF 1