REMARK  Name = BDB002559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.546   0.016   0.164  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1       -1.733   1.076  -0.285  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -0.464   0.864  -0.840  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        0.035  -0.431  -0.949  0.00  0.00    +0.003 A 
ATOM      5  C   LIG    1       -0.731  -1.508  -0.508  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -1.998  -1.277   0.045  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.716  -0.893   0.904  0.00  0.00    +0.129 C 
ATOM      8  N   LIG    1       -3.805   0.239   0.738  0.00  0.00    -0.336 N 
ATOM      9  C   LIG    1       -4.450   1.537   0.543  0.00  0.00    +0.129 C 
ENDBRANCH   1   8
BRANCH   4  10
ATOM     10  C   LIG    1        1.391  -0.652  -1.518  0.00  0.00    +0.082 C 
ATOM     11  S   LIG    1        1.523  -1.329  -3.058  0.00  0.00    -0.035 S 
BRANCH  10  12
ATOM     12  N   LIG    1        2.479  -0.259  -0.724  0.00  0.00    -0.319 N 
ATOM     13  C   LIG    1        2.347   0.115   0.698  0.00  0.00    +0.133 C 
ATOM     14  C   LIG    1        3.618  -0.228   1.484  0.00  0.00    +0.178 C 
ATOM     15  O   LIG    1        4.793   0.425   0.988  0.00  0.00    -0.377 OA
ATOM     16  C   LIG    1        4.752   0.699  -0.419  0.00  0.00    +0.178 C 
ATOM     17  C   LIG    1        3.871  -0.270  -1.214  0.00  0.00    +0.133 C 
ENDBRANCH  10  12
ENDBRANCH   4  10
TORSDOF 3