REMARK  Name = BDB065347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.423  -1.105   1.671  0.00  0.00    -0.182 NA
ATOM      2  H   LIG    1        0.142  -1.026   2.652  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  S   LIG    1        1.804  -1.987   1.376  0.00  0.00    +0.059 S 
ATOM      4  O   LIG    1        1.441  -3.103   0.529  0.00  0.00    -0.153 OA
ATOM      5  O   LIG    1        2.476  -2.167   2.642  0.00  0.00    -0.153 OA
BRANCH   3   6
ATOM      6  C   LIG    1        2.767  -0.841   0.422  0.00  0.00    +0.105 A 
ATOM      7  C   LIG    1        3.237   0.326   1.034  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1        3.994   1.234   0.293  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1        4.278   0.967  -1.047  0.00  0.00    +0.018 A 
ATOM     10 BR   LIG    1        5.303   2.199  -2.050  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1        3.816  -0.202  -1.655  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        3.058  -1.114  -0.918  0.00  0.00    +0.029 A 
ENDBRANCH   3   6
ENDBRANCH   1   3
BRANCH   1  13
ATOM     13  C   LIG    1       -0.644  -1.095   0.670  0.00  0.00    +0.185 C 
BRANCH  13  15
ATOM     14  O   LIG    1       -1.893   0.088   2.361  0.00  0.00    -0.291 OA
ATOM     15  C   LIG    1       -1.755  -0.188   1.170  0.00  0.00    +0.181 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.706   0.344   0.166  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1       -3.179   1.650   0.295  0.00  0.00    +0.134 A 
ATOM     18  F   LIG    1       -2.756   2.445   1.288  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -4.077   2.174  -0.632  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1       -4.510   1.388  -1.699  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -4.043   0.080  -1.836  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -3.142  -0.446  -0.906  0.00  0.00    +0.014 A 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 5