REMARK  Name = BDB058907
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.131   2.021  -0.384  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.589   1.232   0.222  0.00  0.00    +0.262 C 
ATOM      3  N   LIG    1       -0.147   0.456   1.282  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -0.678  -0.382   1.531  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.014   1.074  -0.190  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1       -2.891   0.177   0.428  0.00  0.00    +0.147 A 
ATOM      7  F   LIG    1       -2.465  -0.597   1.438  0.00  0.00    -0.204 F 
ATOM      8  C   LIG    1       -4.221   0.059   0.014  0.00  0.00    +0.091 A 
ATOM      9  C   LIG    1       -4.679   0.858  -1.044  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -3.816   1.756  -1.672  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.490   1.864  -1.247  0.00  0.00    +0.016 A 
BRANCH   8  12
ATOM     12  C   LIG    1       -5.119  -0.918   0.715  0.00  0.00    +0.420 C 
ATOM     13  F   LIG    1       -4.683  -2.202   0.611  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1       -5.237  -0.660   2.046  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -6.392  -0.920   0.227  0.00  0.00    -0.166 F 
ENDBRANCH   8  12
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  N   LIG    1        1.362   0.323   1.457  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1        1.712   0.652   2.361  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1        1.999  -1.221   1.103  0.00  0.00    +0.074 S 
ATOM     19  O   LIG    1        2.631  -1.668   2.326  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1        0.960  -1.996   0.456  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.252  -0.855  -0.090  0.00  0.00    +0.107 A 
ATOM     22  C   LIG    1        2.916  -0.136  -1.241  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        3.905   0.158  -2.179  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        5.217  -0.267  -1.968  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.548  -0.986  -0.818  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.565  -1.282   0.127  0.00  0.00    +0.028 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 5