REMARK  Name = BDB059302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.315   0.644   0.423  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -1.554   0.582  -0.189  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -1.684   0.011  -1.028  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.193   0.997   1.595  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.297  -0.009  -0.480  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1        2.142   0.349   0.230  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        0.878   0.257  -0.378  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        0.784  -0.194  -1.697  0.00  0.00    +0.139 A 
ATOM      9  F   LIG    1       -0.414  -0.308  -2.292  0.00  0.00    -0.204 F 
ATOM     10  C   LIG    1        1.925  -0.544  -2.426  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1        1.798  -1.055  -3.830  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        3.179  -0.458  -1.807  0.00  0.00    +0.034 A 
BRANCH   5  16
ATOM     13  C   LIG    1        7.108   0.709   2.710  0.00  0.00    +0.047 C 
ATOM     14  C   LIG    1        6.282   0.387   1.526  0.00  0.00    -0.013 A 
ATOM     15  C   LIG    1        4.912   0.475   1.397  0.00  0.00    +0.117 A 
ATOM     16  N   LIG    1        4.587   0.071   0.119  0.00  0.00    -0.240 N 
ATOM     17  N   LIG    1        5.699  -0.273  -0.580  0.00  0.00    -0.175 NA
ATOM     18  C   LIG    1        6.708  -0.081   0.269  0.00  0.00    +0.138 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -2.764   0.628   0.759  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -2.451   0.897   1.706  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.595  -0.866   0.883  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1       -3.295  -1.409   2.190  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -3.335  -1.611  -0.333  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -5.281  -0.324   0.858  0.00  0.00    +0.107 A 
ATOM     25  C   LIG    1       -5.880  -0.011  -0.365  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -7.214   0.397  -0.391  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -7.941   0.483   0.797  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.340   0.159   2.015  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -6.007  -0.250   2.050  0.00  0.00    +0.028 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5