REMARK  Name = BDB051431
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.419   1.135   0.468  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        1.556   2.105  -0.058  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1        0.294   1.710  -0.528  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -0.124   0.380  -0.481  0.00  0.00    +0.080 A 
ATOM      5  N   LIG    1       -1.392   0.136  -0.979  0.00  0.00    -0.233 NA
ATOM      6  C   LIG    1       -1.929   1.261  -1.388  0.00  0.00    +0.136 A 
ATOM      7  C   LIG    1        0.753  -0.583   0.055  0.00  0.00    +0.032 A 
ATOM      8  S   LIG    1       -0.960   2.663  -1.223  0.00  0.00    -0.061 S 
ATOM      9  C   LIG    1        2.017  -0.197   0.526  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  10
ATOM     10  O   LIG    1        3.618   1.635   0.897  0.00  0.00    -0.492 OA
BRANCH  10  12
ATOM     11  C   LIG    1        4.507   0.452   2.818  0.00  0.00    +0.048 C 
ATOM     12  C   LIG    1        4.633   0.731   1.330  0.00  0.00    +0.225 C 
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   6  13
ATOM     13  S   LIG    1       -3.534   1.330  -2.085  0.00  0.00    -0.084 S 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.255  -0.278  -1.598  0.00  0.00    +0.158 C 
ATOM     15  C   LIG    1       -3.712  -1.409  -2.467  0.00  0.00    +0.031 C 
BRANCH  14  16
ATOM     16  C   LIG    1       -4.135  -0.515  -0.099  0.00  0.00    +0.318 C 
ATOM     17  O   LIG    1       -4.145   0.329   0.785  0.00  0.00    -0.250 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -4.116  -1.821   0.247  0.00  0.00    -0.480 OA
ATOM     19  H   LIG    1       -4.040  -1.794   1.224  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   6  13
TORSDOF 6