REMARK  Name = BDB028818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.867  -0.272  -1.180  0.00  0.00    -0.112 S 
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1       -5.589   1.234  -0.902  0.00  0.00    -0.275 OA
ATOM      3  C   LIG    1       -4.478   0.848  -0.551  0.00  0.00    +0.219 C 
ATOM      4  N   LIG    1       -3.519   1.740  -0.143  0.00  0.00    -0.255 N 
ATOM      5  H   LIG    1       -3.805   2.709  -0.121  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1       -2.281   1.470   0.392  0.00  0.00    +0.233 C 
ATOM      7  O   LIG    1       -1.593   2.381   0.849  0.00  0.00    -0.274 OA
ATOM      8  C   LIG    1       -1.818   0.020   0.365  0.00  0.00    +0.138 C 
ATOM      9  C   LIG    1       -3.022  -0.916   0.466  0.00  0.00    +0.033 C 
ATOM     10  C   LIG    1       -4.085  -0.608  -0.578  0.00  0.00    +0.098 C 
ENDBRANCH   1   8
BRANCH   1  11
ATOM     11  C   LIG    1        0.795  -0.255  -0.537  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        1.563  -1.421  -0.605  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        2.872  -1.435  -0.116  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        3.432  -0.282   0.449  0.00  0.00    -0.022 A 
ATOM     15  C   LIG    1        2.668   0.891   0.492  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        1.359   0.903   0.002  0.00  0.00    +0.015 A 
BRANCH  14  17
ATOM     17  C   LIG    1        4.853  -0.292   0.946  0.00  0.00    +0.191 C 
BRANCH  17  18
ATOM     18  O   LIG    1        5.761  -0.113  -0.132  0.00  0.00    -0.390 OA
ATOM     19  H   LIG    1        5.247   0.151  -0.915  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   1  11
TORSDOF 4