REMARK  Name = BDB064268
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.681   0.660  -0.524  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -1.490   1.815  -1.292  0.00  0.00    +0.158 A 
ATOM      3  C   LIG    1       -0.269   2.099  -1.890  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        0.794   1.214  -1.721  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        0.630   0.055  -0.952  0.00  0.00    -0.020 A 
ATOM      6  C   LIG    1       -0.613  -0.223  -0.359  0.00  0.00    +0.057 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        1.735  -0.893  -0.776  0.00  0.00    +0.028 C 
ATOM      8  C   LIG    1        2.856  -0.668  -0.079  0.00  0.00    +0.077 C 
ATOM      9  C   LIG    1        3.919  -1.700   0.052  0.00  0.00    +0.256 C 
ATOM     10  O   LIG    1        3.890  -2.816  -0.441  0.00  0.00    -0.269 OA
ATOM     11  N   LIG    1        4.941  -1.212   0.817  0.00  0.00    -0.270 N 
ATOM     12  H   LIG    1        5.748  -1.785   1.009  0.00  0.00    +0.156 HD
ATOM     13  C   LIG    1        4.824   0.051   1.312  0.00  0.00    +0.118 C 
ATOM     14  S   LIG    1        5.973   0.775   2.258  0.00  0.00    -0.027 S 
ATOM     15  S   LIG    1        3.307   0.750   0.796  0.00  0.00    -0.061 S 
ENDBRANCH   5   7
BRANCH   2  16
ATOM     16  O   LIG    1       -2.518   2.699  -1.474  0.00  0.00    -0.503 OA
ATOM     17  H   LIG    1       -3.269   2.317  -0.977  0.00  0.00    +0.292 HD
ENDBRANCH   2  16
BRANCH   1  18
ATOM     18  O   LIG    1       -2.941   0.517  -0.002  0.00  0.00    -0.489 OA
BRANCH  18  20
ATOM     19  C   LIG    1       -4.619  -0.586   1.279  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1       -3.179  -0.638   0.802  0.00  0.00    +0.226 C 
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 4