REMARK  Name = BDB059561
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.763   0.437  -1.901  0.00  0.00    +0.076 S 
ATOM      2  O   LIG    1       -0.488   1.787  -2.345  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -1.678  -0.412  -2.635  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1       -1.583  -0.652   0.494  0.00  0.00    +0.147 A 
ATOM      5  C   LIG    1       -1.343   0.520  -0.228  0.00  0.00    +0.151 A 
ATOM      6  C   LIG    1       -1.576   1.772   0.351  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -2.034   1.840   1.665  0.00  0.00    +0.020 A 
ATOM      8 BR   LIG    1       -2.348   3.524   2.462  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1       -2.256   0.676   2.401  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1       -2.023  -0.572   1.818  0.00  0.00    +0.049 A 
BRANCH   4  12
ATOM     11  C   LIG    1       -2.455  -2.671  -0.220  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -1.278  -1.873  -0.050  0.00  0.00    -0.493 OA
ENDBRANCH   4  12
ENDBRANCH   1   5
BRANCH   1  13
ATOM     13  N   LIG    1        0.693  -0.397  -1.785  0.00  0.00    -0.213 N 
ATOM     14  H   LIG    1        0.613  -1.395  -1.977  0.00  0.00    +0.174 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.720   0.054  -0.906  0.00  0.00    +0.091 A 
ATOM     16  C   LIG    1        2.153  -0.774   0.138  0.00  0.00    +0.139 A 
ATOM     17  C   LIG    1        3.184  -0.377   0.984  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1        3.779   0.871   0.804  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        3.342   1.704  -0.227  0.00  0.00    +0.043 A 
ATOM     20 CL   LIG    1        4.082   3.242  -0.446  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        2.318   1.301  -1.085  0.00  0.00    +0.048 A 
BRANCH  16  22
ATOM     22  O   LIG    1        1.585  -1.994   0.383  0.00  0.00    -0.505 OA
ATOM     23  H   LIG    1        0.663  -1.969   0.067  0.00  0.00    +0.292 HD
ENDBRANCH  16  22
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 5