REMARK  Name = BDB046942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.242   0.360   1.724  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        3.945   0.395   0.541  0.00  0.00    +0.256 C 
ATOM      3  C   LIG    1        2.562   0.412  -0.005  0.00  0.00    +0.077 C 
ATOM      4  C   LIG    1        1.488   0.381   0.793  0.00  0.00    +0.028 C 
ATOM      5  S   LIG    1        2.615   0.448  -1.730  0.00  0.00    -0.061 S 
ATOM      6  C   LIG    1        4.363   0.448  -1.760  0.00  0.00    +0.118 C 
ATOM      7  S   LIG    1        5.327   0.477  -3.105  0.00  0.00    -0.027 S 
ATOM      8  N   LIG    1        4.845   0.420  -0.487  0.00  0.00    -0.270 N 
ATOM      9  H   LIG    1        5.835   0.412  -0.294  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        0.089   0.382   0.353  0.00  0.00    -0.023 A 
ATOM     11  C   LIG    1       -0.698  -0.756   0.580  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -2.021  -0.733   0.174  0.00  0.00    -0.002 A 
ATOM     13  C   LIG    1       -3.045  -1.800   0.224  0.00  0.00    +0.080 C 
ATOM     14  C   LIG    1       -4.282  -0.962  -0.104  0.00  0.00    +0.234 C 
ATOM     15  O   LIG    1       -3.873   0.239  -0.800  0.00  0.00    -0.491 OA
ATOM     16  C   LIG    1       -2.557   0.384  -0.446  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1       -1.807   1.515  -0.687  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -0.472   1.514  -0.274  0.00  0.00    +0.011 A 
ENDBRANCH   4  10
TORSDOF 1