REMARK  Name = LIG001777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.358   0.890  -1.087  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.336  -0.062  -0.764  0.00  0.00    +0.264 C 
ATOM      3  N   LIG    1       -0.193  -1.337  -0.573  0.00  0.00    -0.181 N 
ATOM      4  H   LIG    1        0.389  -2.143  -0.366  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.793   0.131  -0.491  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1        2.768  -0.878  -0.424  0.00  0.00    +0.054 A 
ATOM      7 CL   LIG    1        2.453  -2.552  -0.729  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        4.102  -0.557  -0.131  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        4.474   0.766   0.095  0.00  0.00    +0.042 A 
ATOM     10 CL   LIG    1        6.111   1.146   0.453  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1        3.527   1.780   0.027  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1        2.197   1.464  -0.264  0.00  0.00    +0.016 A 
ENDBRANCH   2   5
BRANCH   3  13
ATOM     13  S   LIG    1       -1.761  -1.757  -0.922  0.00  0.00    +0.081 S 
ATOM     14  O   LIG    1       -1.976  -1.585  -2.342  0.00  0.00    -0.149 OA
ATOM     15  O   LIG    1       -1.987  -3.038  -0.287  0.00  0.00    -0.149 OA
BRANCH  13  16
ATOM     16  C   LIG    1       -2.877  -0.632  -0.128  0.00  0.00    +0.147 A 
ATOM     17  S   LIG    1       -2.687  -0.446   1.565  0.00  0.00    -0.061 S 
ATOM     18  C   LIG    1       -3.956   0.674   1.634  0.00  0.00    +0.057 A 
ATOM     19 BR   LIG    1       -4.522   1.509   3.257  0.00  0.00    -0.043 Br
ATOM     20  C   LIG    1       -4.534   0.922   0.414  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -3.903   0.160  -0.614  0.00  0.00    +0.038 A 
ENDBRANCH  13  16
ENDBRANCH   3  13
TORSDOF 3