REMARK  Name = BDB059566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.301  -1.906   0.841  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1       -0.693  -2.644   1.427  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.185  -1.265  -0.074  0.00  0.00    +0.093 A 
ATOM      4  C   LIG    1       -1.662  -1.890  -1.230  0.00  0.00    +0.139 A 
ATOM      5  C   LIG    1       -2.619  -1.266  -2.021  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -3.087  -0.000  -1.668  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -2.614   0.643  -0.518  0.00  0.00    +0.132 A 
ATOM      8  C   LIG    1       -1.675  -0.004   0.288  0.00  0.00    +0.074 A 
BRANCH   4   9
ATOM      9  O   LIG    1       -1.231  -3.121  -1.632  0.00  0.00    -0.505 OA
ATOM     10  H   LIG    1       -0.257  -3.142  -1.499  0.00  0.00    +0.292 HD
ENDBRANCH   4   9
BRANCH   7  11
ATOM     11  O   LIG    1       -3.159   1.876  -0.299  0.00  0.00    -0.406 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -2.654   2.640   0.783  0.00  0.00    +0.575 C 
ATOM     13  F   LIG    1       -2.901   2.033   1.963  0.00  0.00    -0.133 F 
ATOM     14  F   LIG    1       -3.269   3.843   0.790  0.00  0.00    -0.133 F 
ATOM     15  F   LIG    1       -1.326   2.849   0.651  0.00  0.00    -0.133 F 
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   3
BRANCH   1  17
ATOM     16  O   LIG    1        1.839  -2.994   1.492  0.00  0.00    -0.150 OA
ATOM     17  S   LIG    1        1.294  -2.204   0.405  0.00  0.00    +0.076 S 
ATOM     18  O   LIG    1        1.320  -2.732  -0.944  0.00  0.00    -0.150 OA
BRANCH  17  19
ATOM     19  C   LIG    1        2.049  -0.602   0.481  0.00  0.00    +0.151 A 
ATOM     20  C   LIG    1        1.976   0.295  -0.586  0.00  0.00    +0.143 A 
ATOM     21  C   LIG    1        2.605   1.539  -0.497  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        3.311   1.884   0.657  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        3.388   0.983   1.718  0.00  0.00    +0.020 A 
ATOM     24 BR   LIG    1        4.346   1.454   3.277  0.00  0.00    -0.050 Br
ATOM     25  C   LIG    1        2.765  -0.260   1.637  0.00  0.00    +0.047 A 
BRANCH  20  26
ATOM     26  O   LIG    1        1.279  -0.011  -1.716  0.00  0.00    -0.505 OA
ATOM     27  H   LIG    1        1.402   0.682  -2.386  0.00  0.00    +0.292 HD
ENDBRANCH  20  26
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 7