REMARK  Name = BDB000782
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.111   0.661  -0.216  0.00  0.00    +0.117 A 
ATOM      2  C   LIG    1       -2.998  -0.707  -0.022  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1       -1.731  -1.294   0.039  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -0.560  -0.526  -0.092  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -0.709   0.853  -0.287  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -1.976   1.448  -0.349  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -4.362   1.197  -0.271  0.00  0.00    -0.507 OA
ATOM      8  H   LIG    1       -4.279   2.155  -0.409  0.00  0.00    +0.292 HD
ENDBRANCH   1   7
BRANCH   4   9
ATOM      9  N   LIG    1        0.681  -1.186  -0.020  0.00  0.00    -0.294 N 
ATOM     10  H   LIG    1        0.608  -2.185   0.124  0.00  0.00    +0.154 HD
BRANCH   9  11
ATOM     11  C   LIG    1        1.935  -0.685  -0.115  0.00  0.00    +0.163 A 
ATOM     12  S   LIG    1        3.269  -1.790   0.019  0.00  0.00    -0.045 S 
ATOM     13  C   LIG    1        4.348  -0.501  -0.185  0.00  0.00    +0.076 A 
ATOM     14 BR   LIG    1        6.243  -0.678  -0.194  0.00  0.00    -0.041 Br
ATOM     15  C   LIG    1        3.673   0.680  -0.342  0.00  0.00    +0.136 A 
ATOM     16  N   LIG    1        2.296   0.569  -0.301  0.00  0.00    -0.232 NA
ENDBRANCH   9  11
ENDBRANCH   4   9
TORSDOF 3