REMARK  Name = BDB055801
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.441  -1.587   0.463  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        0.608  -1.741   1.373  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1        1.886  -1.287   1.055  0.00  0.00    +0.167 A 
ATOM      4  F   LIG    1        2.876  -1.485   1.936  0.00  0.00    -0.202 F 
ATOM      5  C   LIG    1        2.131  -0.641  -0.155  0.00  0.00    +0.164 A 
ATOM      6  C   LIG    1        1.091  -0.479  -1.068  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -0.195  -0.933  -0.750  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -1.736  -2.002   0.896  0.00  0.00    -0.216 N 
ATOM      9  H   LIG    1       -1.810  -2.559   1.748  0.00  0.00    +0.174 HD
BRANCH   8  11
ATOM     10  O   LIG    1       -2.515  -2.806  -1.376  0.00  0.00    -0.150 OA
ATOM     11  S   LIG    1       -3.037  -2.287  -0.133  0.00  0.00    +0.074 S 
ATOM     12  O   LIG    1       -3.994  -3.017   0.670  0.00  0.00    -0.150 OA
BRANCH  11  13
ATOM     13  C   LIG    1       -3.753  -0.691  -0.428  0.00  0.00    +0.127 A 
ATOM     14  C   LIG    1       -4.695  -0.522  -1.448  0.00  0.00    +0.069 A 
ATOM     15 CL   LIG    1       -5.277  -1.808  -2.441  0.00  0.00    -0.081 Cl
ATOM     16  C   LIG    1       -5.240   0.746  -1.686  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1       -4.853   1.832  -0.903  0.00  0.00    +0.042 A 
ATOM     18 CL   LIG    1       -5.526   3.385  -1.202  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1       -3.930   1.666   0.126  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -3.381   0.405   0.369  0.00  0.00    +0.032 A 
ENDBRANCH  11  13
ENDBRANCH   8  11
ENDBRANCH   1   8
BRANCH   5  21
ATOM     21  O   LIG    1        3.379  -0.205  -0.528  0.00  0.00    -0.452 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.010   0.671   0.321  0.00  0.00    +0.148 A 
ATOM     23  C   LIG    1        5.370   0.481   0.549  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1        6.045   1.370   1.377  0.00  0.00    +0.063 A 
ATOM     25 CL   LIG    1        7.719   1.164   1.698  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        5.339   2.427   1.935  0.00  0.00    +0.131 A 
ATOM     27  N   LIG    1        4.020   2.653   1.715  0.00  0.00    -0.258 NA
ATOM     28  C   LIG    1        3.387   1.771   0.906  0.00  0.00    +0.157 A 
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 5