REMARK  Name = BDB058891
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.634  -0.188  -2.597  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        1.953   0.110  -1.448  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        1.017   0.483  -0.500  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        1.232   0.508   0.495  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        3.378   0.097  -1.024  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        3.773  -0.147   0.295  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        5.132  -0.149   0.624  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        6.112   0.082  -0.349  0.00  0.00    +0.130 A 
ATOM      9  C   LIG    1        5.716   0.307  -1.667  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        4.357   0.310  -2.003  0.00  0.00    +0.016 A 
BRANCH   8  11
ATOM     11  O   LIG    1        7.392   0.050   0.122  0.00  0.00    -0.406 OA
BRANCH  11  12
ATOM     12  C   LIG    1        8.444   0.280  -0.800  0.00  0.00    +0.575 C 
ATOM     13  F   LIG    1        8.341   1.505  -1.358  0.00  0.00    -0.133 F 
ATOM     14  F   LIG    1        9.621   0.216  -0.139  0.00  0.00    -0.133 F 
ATOM     15  F   LIG    1        8.454  -0.659  -1.770  0.00  0.00    -0.133 F 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  N   LIG    1       -0.442   0.129  -0.831  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1       -0.504  -0.210  -1.805  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -1.094  -1.072   0.202  0.00  0.00    +0.074 S 
ATOM     19  O   LIG    1       -1.188  -2.292  -0.568  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1       -0.354  -1.008   1.448  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -2.723  -0.439   0.482  0.00  0.00    +0.107 A 
ATOM     22  C   LIG    1       -3.801  -0.952  -0.246  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1       -5.098  -0.469  -0.015  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -5.304   0.533   0.964  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1       -6.604   1.013   1.191  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -7.686   0.513   0.464  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -7.483  -0.472  -0.498  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.207   1.025   1.692  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1       -6.198  -0.961  -0.736  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -2.920   0.539   1.457  0.00  0.00    +0.029 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 6