REMARK  Name = BDB056058
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.059  -0.503   0.539  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -4.305   0.134  -0.127  0.00  0.00    -0.018 A 
ATOM      3  C   LIG    1       -3.590   0.920   0.790  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -2.223   0.718   1.005  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -1.530  -0.274   0.300  0.00  0.00    -0.037 A 
ATOM      6  C   LIG    1       -2.237  -1.068  -0.612  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -3.604  -0.864  -0.822  0.00  0.00    +0.009 A 
BRANCH   2  11
ATOM      8  F   LIG    1       -8.071   3.038  -1.152  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -7.617   1.812  -0.862  0.00  0.00    +0.127 A 
ATOM     10  C   LIG    1       -6.251   1.622  -0.652  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -5.745   0.347  -0.349  0.00  0.00    -0.012 A 
ATOM     12  C   LIG    1       -6.657  -0.718  -0.265  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -8.019  -0.504  -0.477  0.00  0.00    +0.127 A 
ATOM     14  F   LIG    1       -8.866  -1.538  -0.389  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -8.510   0.756  -0.776  0.00  0.00    +0.076 A 
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  S   LIG    1        0.223  -1.709   1.862  0.00  0.00    -0.061 S 
BRANCH  16  17
ATOM     17  C   LIG    1        1.958  -1.744   1.887  0.00  0.00    +0.278 A 
ATOM     18  O   LIG    1        2.752  -0.995   1.059  0.00  0.00    -0.411 OA
ATOM     19  C   LIG    1        4.010  -1.365   1.455  0.00  0.00    +0.249 A 
ATOM     20  N   LIG    1        3.992  -2.252   2.427  0.00  0.00    -0.106 NA
ATOM     21  N   LIG    1        2.662  -2.497   2.706  0.00  0.00    -0.101 NA
BRANCH  19  22
ATOM     22  C   LIG    1        5.139  -0.748   0.770  0.00  0.00    +0.042 A 
ATOM     23  C   LIG    1        4.954   0.191  -0.259  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1        6.072   0.732  -0.860  0.00  0.00    +0.167 A 
ATOM     25  O   LIG    1        6.065   1.648  -1.865  0.00  0.00    -0.453 OA
ATOM     26  C   LIG    1        7.481   1.831  -2.077  0.00  0.00    +0.466 C 
ATOM     27  O   LIG    1        8.299   1.027  -1.201  0.00  0.00    -0.453 OA
ATOM     28  C   LIG    1        7.345   0.379  -0.483  0.00  0.00    +0.166 A 
ATOM     29  C   LIG    1        7.573  -0.537   0.519  0.00  0.00    +0.050 A 
ATOM     30  C   LIG    1        6.457  -1.102   1.148  0.00  0.00    +0.017 A 
ENDBRANCH  19  22
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5