REMARK  Name = BDB002876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.021  -2.942   2.845  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1       -0.576  -1.656   2.475  0.00  0.00    +0.072 S 
ATOM      3  O   LIG    1       -0.952  -0.685   3.480  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        0.580  -0.880   1.365  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        1.420  -1.674   0.582  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        2.328  -1.062  -0.288  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        2.416   0.338  -0.372  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        1.573   1.117   0.436  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        0.662   0.513   1.308  0.00  0.00    +0.029 A 
BRANCH   7  10
ATOM     10  C   LIG    1        3.371   0.939  -1.297  0.00  0.00    +0.102 A 
ATOM     11  N   LIG    1        3.845   0.230  -2.398  0.00  0.00    -0.141 NA
ATOM     12  N   LIG    1        4.702   0.936  -3.115  0.00  0.00    -0.110 NA
ATOM     13  S   LIG    1        4.974   2.459  -2.485  0.00  0.00    +0.029 S 
ATOM     14  C   LIG    1        3.897   2.214  -1.171  0.00  0.00    +0.097 A 
ENDBRANCH   7  10
ENDBRANCH   2   4
BRANCH   2  15
ATOM     15  N   LIG    1       -1.898  -1.984   1.478  0.00  0.00    -0.216 N 
ATOM     16  H   LIG    1       -1.825  -2.898   1.034  0.00  0.00    +0.174 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -2.484  -0.927   0.728  0.00  0.00    +0.048 A 
ATOM     18  C   LIG    1       -2.388  -0.948  -0.664  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1       -2.923   0.100  -1.415  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -3.556   1.165  -0.775  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.655   1.184   0.616  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.118   0.138   1.369  0.00  0.00    +0.024 A 
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 4