REMARK  Name = LIG001861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.242  -0.831  -0.497  0.00  0.00    +0.184 C 
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1       -5.141   1.799  -0.144  0.00  0.00    -0.275 OA
ATOM      3  C   LIG    1       -4.108   1.144  -0.254  0.00  0.00    +0.219 C 
ATOM      4  N   LIG    1       -2.949   1.719  -0.712  0.00  0.00    -0.256 N 
ATOM      5  H   LIG    1       -2.998   2.709  -0.911  0.00  0.00    +0.157 HD
ATOM      6  C   LIG    1       -1.754   1.105  -0.989  0.00  0.00    +0.224 C 
ATOM      7  O   LIG    1       -0.828   1.719  -1.514  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -1.689  -0.390  -0.726  0.00  0.00    +0.097 C 
ATOM      9  C   LIG    1       -2.656  -0.792   0.386  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -4.063  -0.341   0.021  0.00  0.00    +0.097 C 
ENDBRANCH   1   8
BRANCH   1  11
ATOM     11  S   LIG    1        0.443  -0.278   1.057  0.00  0.00    -0.002 S 
ATOM     12  O   LIG    1        0.241  -1.345   2.020  0.00  0.00    -0.169 OA
ATOM     13  O   LIG    1       -0.023   1.063   1.351  0.00  0.00    -0.169 OA
BRANCH  11  14
ATOM     14  C   LIG    1        2.187  -0.167   0.731  0.00  0.00    +0.088 A 
ATOM     15  C   LIG    1        3.048  -1.174   1.180  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        4.415  -1.065   0.925  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        4.902   0.045   0.238  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1        6.215   0.144  -0.004  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1        4.048   1.054  -0.197  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        2.680   0.954   0.053  0.00  0.00    +0.030 A 
ENDBRANCH  11  14
ENDBRANCH   1  11
TORSDOF 3