REMARK  Name = BDB059353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.346   0.325   0.919  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.817   0.576   0.212  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.876   0.342  -0.782  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.344   0.240   2.146  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.011  -0.233   0.167  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.799  -0.056   0.845  0.00  0.00    +0.061 A 
ATOM      7  C   LIG    1       -1.601   0.148   0.143  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1       -1.638   0.175  -1.249  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1       -0.521   0.360  -1.969  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -2.838   0.005  -1.935  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -4.026  -0.197  -1.228  0.00  0.00    +0.048 A 
BRANCH   5  12
ATOM     12  O   LIG    1       -5.090  -0.415   0.983  0.00  0.00    -0.492 OA
BRANCH  12  14
ATOM     13  C   LIG    1       -7.148   0.490   0.075  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1       -6.349  -0.759   0.405  0.00  0.00    +0.225 C 
ENDBRANCH  12  14
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  15
ATOM     15  N   LIG    1        2.125   0.389   1.001  0.00  0.00    -0.108 NA
ATOM     16  H   LIG    1        1.906   0.270   2.004  0.00  0.00    +0.172 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.044  -0.964   0.493  0.00  0.00    +0.074 S 
ATOM     18  O   LIG    1        2.689  -1.239  -0.885  0.00  0.00    -0.152 OA
ATOM     19  O   LIG    1        2.928  -1.970   1.527  0.00  0.00    -0.152 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.684  -0.296   0.526  0.00  0.00    +0.107 A 
ATOM     21  C   LIG    1        5.533  -0.584   1.599  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        6.829  -0.068   1.604  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        7.272   0.721   0.541  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.424   0.996  -0.533  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.127   0.485  -0.547  0.00  0.00    +0.028 A 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 6