REMARK  Name = BDB059616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.716  -0.191  -1.972  0.00  0.00    +0.076 S 
ATOM      2  O   LIG    1       -0.419  -1.474  -2.574  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -1.619   0.738  -2.618  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1       -1.601   0.587   0.519  0.00  0.00    +0.147 A 
ATOM      5  C   LIG    1       -1.337  -0.485  -0.338  0.00  0.00    +0.151 A 
ATOM      6  C   LIG    1       -1.579  -1.801   0.073  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -2.069  -2.034   1.355  0.00  0.00    +0.020 A 
ATOM      8 BR   LIG    1       -2.394  -3.805   1.927  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1       -2.315  -0.972   2.226  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1       -2.073   0.339   1.810  0.00  0.00    +0.049 A 
BRANCH   4  12
ATOM     11  C   LIG    1       -2.466   2.679   0.048  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -1.289   1.867   0.139  0.00  0.00    -0.493 OA
ENDBRANCH   4  12
ENDBRANCH   1   5
BRANCH   1  13
ATOM     13  N   LIG    1        0.731   0.629  -1.716  0.00  0.00    -0.213 N 
ATOM     14  H   LIG    1        0.647   1.642  -1.781  0.00  0.00    +0.174 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.739   0.074  -0.877  0.00  0.00    +0.089 A 
ATOM     16  C   LIG    1        2.141   0.759   0.277  0.00  0.00    +0.140 A 
ATOM     17  C   LIG    1        3.155   0.259   1.089  0.00  0.00    +0.067 A 
ATOM     18  C   LIG    1        3.758  -0.951   0.756  0.00  0.00    +0.045 A 
ATOM     19 CL   LIG    1        5.004  -1.589   1.757  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1        3.360  -1.652  -0.382  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1        2.351  -1.136  -1.202  0.00  0.00    +0.029 A 
BRANCH  16  22
ATOM     22  O   LIG    1        1.559   1.935   0.664  0.00  0.00    -0.505 OA
ATOM     23  H   LIG    1        0.646   1.952   0.320  0.00  0.00    +0.292 HD
ENDBRANCH  16  22
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 5