REMARK  Name = BDB058840
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.318  -1.607  -0.990  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1       -0.635  -0.934  -1.702  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   5
ATOM      3  O   LIG    1        0.753   0.890  -1.137  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        1.445   0.059  -0.548  0.00  0.00    +0.262 C 
ATOM      5  N   LIG    1        1.114  -1.286  -0.549  0.00  0.00    -0.228 N 
ATOM      6  H   LIG    1        1.501  -1.905   0.166  0.00  0.00    +0.171 HD
BRANCH   4   7
ATOM      7  C   LIG    1        2.661   0.472   0.201  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1        3.426  -0.422   0.951  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1        3.090  -1.718   1.033  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        4.560   0.006   1.640  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        4.941   1.345   1.586  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        4.186   2.252   0.843  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.050   1.819   0.153  0.00  0.00    +0.016 A 
ENDBRANCH   4   7
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  S   LIG    1       -1.451  -1.713   0.300  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1       -1.979  -3.060   0.307  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1       -0.848  -1.136   1.484  0.00  0.00    -0.152 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -2.729  -0.614  -0.260  0.00  0.00    +0.107 A 
ATOM     18  C   LIG    1       -3.904  -1.135  -0.811  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1       -4.907  -0.262  -1.238  0.00  0.00    +0.017 A 
ATOM     20  C   LIG    1       -4.730   1.117  -1.105  0.00  0.00    +0.018 A 
ATOM     21 BR   LIG    1       -6.090   2.295  -1.685  0.00  0.00    -0.050 Br
ATOM     22  C   LIG    1       -3.560   1.634  -0.546  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1       -2.555   0.766  -0.116  0.00  0.00    +0.029 A 
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 4