REMARK  Name = BDB059344
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.579  -1.501   0.217  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        1.325  -0.675  -0.304  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        0.990  -0.020  -1.479  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        1.350   0.925  -1.616  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.616  -0.296   0.329  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        2.785  -0.562   1.693  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        3.979  -0.220   2.314  0.00  0.00    +0.124 A 
ATOM      8  F   LIG    1        4.137  -0.468   3.620  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1        5.015   0.376   1.603  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1        4.859   0.630   0.241  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        3.662   0.292  -0.399  0.00  0.00    +0.013 A 
ENDBRANCH   2   5
BRANCH   3  12
ATOM     12  N   LIG    1       -0.485  -0.184  -1.904  0.00  0.00    -0.108 NA
ATOM     13  H   LIG    1       -0.873  -1.058  -1.518  0.00  0.00    +0.172 HD
BRANCH  12  14
ATOM     14  S   LIG    1       -1.480   1.159  -1.499  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1       -2.073   1.645  -2.726  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1       -0.703   2.034  -0.644  0.00  0.00    -0.152 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -2.744   0.391  -0.524  0.00  0.00    +0.107 A 
ATOM     18  C   LIG    1       -4.001   0.143  -1.083  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1       -4.991  -0.456  -0.303  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -4.725  -0.796   1.024  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.470  -0.537   1.580  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -2.476   0.063   0.808  0.00  0.00    +0.028 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   3  12
TORSDOF 4