REMARK  Name = BDB046941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.564  -1.876  -1.497  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        3.399  -1.000  -0.664  0.00  0.00    +0.256 C 
ATOM      3  C   LIG    1        2.095  -0.382  -0.304  0.00  0.00    +0.077 C 
ATOM      4  C   LIG    1        0.949  -0.763  -0.883  0.00  0.00    +0.028 C 
ATOM      5  S   LIG    1        2.329   0.805   0.927  0.00  0.00    -0.061 S 
ATOM      6  C   LIG    1        4.055   0.528   0.981  0.00  0.00    +0.118 C 
ATOM      7  S   LIG    1        5.147   1.299   1.957  0.00  0.00    -0.027 S 
ATOM      8  N   LIG    1        4.395  -0.437   0.083  0.00  0.00    -0.270 N 
ATOM      9  H   LIG    1        5.349  -0.741  -0.033  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -0.382  -0.224  -0.586  0.00  0.00    -0.023 A 
ATOM     11  C   LIG    1       -1.326  -1.055   0.035  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1       -2.603  -0.532   0.308  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -2.953   0.778  -0.027  0.00  0.00    +0.078 A 
ATOM     14  N   LIG    1       -4.245   1.151   0.303  0.00  0.00    -0.247 NA
ATOM     15  C   LIG    1       -4.858   0.142   0.877  0.00  0.00    +0.157 A 
ATOM     16  C   LIG    1       -1.994   1.594  -0.658  0.00  0.00    +0.029 A 
ATOM     17  S   LIG    1       -3.952  -1.298   1.059  0.00  0.00    -0.075 S 
ATOM     18  C   LIG    1       -0.719   1.086  -0.935  0.00  0.00    +0.010 A 
ENDBRANCH   4  10
TORSDOF 1