REMARK  Name = BDB029741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.982  -0.034  -0.151  0.00  0.00    +0.014 A 
ATOM      2  C   LIG    1       -0.201   0.608  -0.450  0.00  0.00    +0.122 A 
ATOM      3  N   LIG    1       -1.226  -0.295  -0.252  0.00  0.00    -0.239 N 
ATOM      4  N   LIG    1       -0.742  -1.494   0.163  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1        0.581  -1.328   0.221  0.00  0.00    +0.142 A 
ENDROOT
BRANCH   1   9
ATOM      6  O   LIG    1        4.688   2.133  -0.522  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        4.691   0.968  -0.158  0.00  0.00    +0.256 C 
ATOM      8  C   LIG    1        3.484   0.109   0.011  0.00  0.00    +0.077 C 
ATOM      9  C   LIG    1        2.260   0.594  -0.242  0.00  0.00    +0.031 C 
ATOM     10  S   LIG    1        3.966  -1.458   0.541  0.00  0.00    -0.061 S 
ATOM     11  C   LIG    1        5.662  -1.036   0.550  0.00  0.00    +0.118 C 
ATOM     12  S   LIG    1        6.923  -2.025   0.963  0.00  0.00    -0.027 S 
ATOM     13  N   LIG    1        5.814   0.257   0.158  0.00  0.00    -0.270 N 
ATOM     14  H   LIG    1        6.723   0.691   0.097  0.00  0.00    +0.156 HD
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1       -2.624  -0.092  -0.431  0.00  0.00    +0.065 A 
ATOM     16  C   LIG    1       -3.133   1.142  -0.859  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -4.511   1.311  -1.026  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -5.385   0.257  -0.769  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.887  -0.972  -0.343  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -3.512  -1.149  -0.174  0.00  0.00    +0.028 A 
ENDBRANCH   3  15
TORSDOF 2