REMARK  Name = BDB028487
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.666   0.385  -0.831  0.00  0.00    +0.128 A 
ATOM      2  C   LIG    1       -1.489  -0.183  -0.329  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1       -1.002   0.263   0.904  0.00  0.00    +0.119 A 
ATOM      4  C   LIG    1       -1.665   1.262   1.625  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -2.836   1.821   1.112  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.341   1.385  -0.115  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -2.599  -0.982  -2.704  0.00  0.00    -0.126 OA
ATOM      8  N   LIG    1       -3.202  -0.070  -2.121  0.00  0.00    +0.056 N 
ATOM      9  O   LIG    1       -4.223   0.485  -2.549  0.00  0.00    -0.126 OA
ENDBRANCH   1   8
BRANCH   3  10
ATOM     10  S   LIG    1        0.500  -0.438   1.545  0.00  0.00    +0.112 S 
ATOM     11  O   LIG    1        0.181  -1.788   1.959  0.00  0.00    -0.142 OA
ATOM     12  O   LIG    1        1.071   0.522   2.469  0.00  0.00    -0.142 OA
BRANCH  10  13
ATOM     13  O   LIG    1        1.475  -0.503   0.249  0.00  0.00    -0.232 OA
BRANCH  13  14
ATOM     14  C   LIG    1        2.708  -1.185   0.407  0.00  0.00    +0.227 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.512  -1.141  -0.853  0.00  0.00    +0.172 C 
ATOM     16  O   LIG    1        2.764  -1.299  -2.066  0.00  0.00    -0.369 OA
ATOM     17  C   LIG    1        3.395  -0.024  -1.859  0.00  0.00    +0.194 C 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   3  10
TORSDOF 5