REMARK  Name = LIG001069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.522   1.671   0.854  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.474   1.045   0.729  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -2.828   0.519   1.819  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -3.321   0.616   2.696  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -1.810  -0.402   1.811  0.00  0.00    +0.223 C 
ATOM      6  O   LIG    1       -1.526  -1.022   2.832  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.057  -0.555   0.498  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -2.060  -0.482  -0.656  0.00  0.00    +0.023 C 
ATOM      9  C   LIG    1       -2.805   0.843  -0.608  0.00  0.00    +0.097 C 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -0.248  -1.861   0.524  0.00  0.00    +0.087 C 
BRANCH  10  11
ATOM     11  S   LIG    1        0.794  -2.132  -0.959  0.00  0.00    -0.124 S 
BRANCH  11  12
ATOM     12  C   LIG    1        1.960  -0.792  -0.799  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        2.097   0.115  -1.856  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        3.001   1.177  -1.765  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1        3.775   1.327  -0.617  0.00  0.00    +0.018 A 
ATOM     16 BR   LIG    1        4.997   2.763  -0.489  0.00  0.00    -0.050 Br
ATOM     17  C   LIG    1        3.659   0.421   0.436  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        2.755  -0.640   0.341  0.00  0.00    +0.016 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   7  10
TORSDOF 3