REMARK  Name = BDB023220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.177   0.598   1.215  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -1.208   0.728   0.484  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1       -1.269   1.259  -0.805  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1       -0.429   1.291  -1.376  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.134   0.320   0.838  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.150   0.472  -0.075  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.290   0.012   0.511  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.024  -0.442   1.793  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.094  -0.957   2.534  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.376  -0.994   1.977  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.622  -0.516   0.681  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        2.903  -1.420   3.777  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.554  -0.008  -0.081  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.635  -0.242   1.998  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.922  -0.575   0.131  0.00  0.00    -0.324 N 
ATOM     16  C   LIG    1        6.461   0.257  -0.911  0.00  0.00    +0.143 C 
ATOM     17  C   LIG    1        7.853  -0.235  -0.482  0.00  0.00    +0.200 C 
ATOM     18  F   LIG    1        8.835   0.696  -0.429  0.00  0.00    -0.242 F 
ATOM     19  C   LIG    1        7.168  -0.587   0.849  0.00  0.00    +0.143 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  S   LIG    1       -2.606   1.927  -1.512  0.00  0.00    +0.078 S 
ATOM     21  O   LIG    1       -2.187   2.235  -2.867  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -3.103   2.983  -0.661  0.00  0.00    -0.150 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.735   0.565  -1.627  0.00  0.00    +0.154 A 
ATOM     24  C   LIG    1       -4.816   0.411  -0.757  0.00  0.00    +0.189 A 
ATOM     25  O   LIG    1       -5.021   1.328   0.236  0.00  0.00    -0.483 OA
ATOM     26  C   LIG    1       -5.872   0.829   1.270  0.00  0.00    +0.270 C 
ATOM     27  C   LIG    1       -7.115   0.213   0.659  0.00  0.00    +0.270 C 
ATOM     28  O   LIG    1       -6.771  -0.925  -0.138  0.00  0.00    -0.485 OA
ATOM     29  C   LIG    1       -5.674  -0.687  -0.929  0.00  0.00    +0.164 A 
ATOM     30  C   LIG    1       -5.441  -1.626  -1.935  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -4.365  -1.465  -2.803  0.00  0.00    +0.006 A 
ATOM     32  C   LIG    1       -3.517  -0.368  -2.656  0.00  0.00    +0.033 A 
ENDBRANCH  20  23
ENDBRANCH   3  20
TORSDOF 4