REMARK  Name = BDB059597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.121   0.129  -0.996  0.00  0.00    +0.081 A 
ATOM      2  C   LIG    1       -1.225  -0.936  -0.751  0.00  0.00    +0.151 A 
ATOM      3  C   LIG    1        0.059  -0.926  -1.345  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        0.444   0.168  -2.135  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.428   1.234  -2.340  0.00  0.00    +0.109 A 
ATOM      6  C   LIG    1       -1.701   1.217  -1.777  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   5   7
ATOM      7  S   LIG    1       -1.306   2.854  -2.859  0.00  0.00    +0.312 S 
ATOM      8  F   LIG    1       -0.012   1.597   1.233  0.00  0.00    -0.093 F 
ATOM      9  F   LIG    1       -0.012   1.598   1.233  0.00  0.00    -0.093 F 
ATOM     10  F   LIG    1       -0.012   1.597   1.233  0.00  0.00    -0.093 F 
ATOM     11  F   LIG    1       -0.012   1.598   1.233  0.00  0.00    -0.093 F 
ATOM     12  F   LIG    1       -0.012   1.598   1.233  0.00  0.00    -0.093 F 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     13  C   LIG    1       -5.515  -1.132   0.426  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1       -4.260  -1.052  -0.314  0.00  0.00    -0.314 N 
ATOM     15  H   LIG    1       -3.950  -1.904  -0.832  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -3.478   0.150  -0.404  0.00  0.00    +0.247 C 
ATOM     17  O   LIG    1       -3.962   1.247  -0.011  0.00  0.00    -0.270 OA
ENDBRANCH   1  16
BRANCH   2  18
ATOM     18  O   LIG    1       -1.604  -1.960   0.123  0.00  0.00    -0.504 OA
ATOM     19  H   LIG    1       -0.975  -2.691   0.427  0.00  0.00    +0.292 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  N   LIG    1        0.953  -2.037  -1.177  0.00  0.00    -0.213 N 
ATOM     21  H   LIG    1        0.574  -3.009  -1.133  0.00  0.00    +0.174 HD
BRANCH  20  22
ATOM     22  S   LIG    1        2.649  -1.827  -0.884  0.00  0.00    +0.076 S 
ATOM     23  O   LIG    1        3.352  -1.514  -2.175  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1        3.215  -3.108  -0.338  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1        2.889  -0.555   0.319  0.00  0.00    +0.151 A 
ATOM     26  C   LIG    1        3.388   0.718  -0.025  0.00  0.00    +0.143 A 
ATOM     27  C   LIG    1        3.558   1.691   0.971  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1        3.230   1.407   2.299  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1        2.724   0.150   2.640  0.00  0.00    +0.020 A 
ATOM     30 BR   LIG    1        2.248  -0.227   4.450  0.00  0.00    -0.050 Br
ATOM     31  C   LIG    1        2.552  -0.825   1.654  0.00  0.00    +0.047 A 
BRANCH  26  32
ATOM     32  O   LIG    1        3.713   1.020  -1.346  0.00  0.00    -0.505 OA
ATOM     33  H   LIG    1        4.067   1.931  -1.612  0.00  0.00    +0.292 HD
ENDBRANCH  26  32
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 7