REMARK  Name = BDB047351
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.587   0.787   1.507  0.00  0.00    +0.222 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.619   0.357   0.487  0.00  0.00    +0.026 A 
ATOM      3  S   LIG    1        2.223  -1.255   0.492  0.00  0.00    -0.099 S 
ATOM      4  C   LIG    1        3.255  -0.952  -0.833  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        3.176   0.353  -1.262  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        2.245   1.110  -0.494  0.00  0.00    +0.014 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      7  O   LIG    1       -0.698  -0.916   2.620  0.00  0.00    -0.288 OA
ATOM      8  C   LIG    1       -0.594  -0.213   1.607  0.00  0.00    +0.203 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.571  -0.328   0.519  0.00  0.00    +0.058 A 
ATOM     10  S   LIG    1       -1.522   0.615  -0.908  0.00  0.00    -0.094 S 
ATOM     11  C   LIG    1       -2.918  -0.131  -1.548  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -3.426  -1.085  -0.696  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -2.651  -1.197   0.493  0.00  0.00    +0.019 A 
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   1  14
ATOM     14  O   LIG    1        0.214   2.136   1.241  0.00  0.00    -0.379 OA
ATOM     15  H   LIG    1       -0.225   2.144   0.373  0.00  0.00    +0.211 HD
ENDBRANCH   1  14
TORSDOF 4