REMARK  Name = LIG000973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.220  -1.276   0.536  0.00  0.00    +0.087 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.530   0.168   0.116  0.00  0.00    +0.086 C 
ATOM      3  C   LIG    1       -2.248   0.925   1.217  0.00  0.00    +0.223 C 
ATOM      4  O   LIG    1       -1.681   1.734   1.946  0.00  0.00    -0.275 OA
ATOM      5  N   LIG    1       -3.590   0.674   1.352  0.00  0.00    -0.256 N 
ATOM      6  H   LIG    1       -4.036   1.206   2.088  0.00  0.00    +0.157 HD
ATOM      7  C   LIG    1       -4.433   0.349   0.321  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -5.638   0.572   0.392  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -3.805  -0.315  -0.881  0.00  0.00    +0.097 C 
ATOM     10  C   LIG    1       -2.405   0.223  -1.142  0.00  0.00    +0.023 C 
ENDBRANCH   1   2
BRANCH   1  11
ATOM     11  S   LIG    1       -0.027  -1.418   1.916  0.00  0.00    -0.124 S 
BRANCH  11  16
ATOM     12  C   LIG    1        4.976   0.778  -0.777  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        3.761   0.220  -0.098  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1        3.250  -1.029  -0.470  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        2.101  -1.536   0.143  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        1.441  -0.793   1.125  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        1.947   0.455   1.498  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        3.094   0.962   0.883  0.00  0.00    +0.004 A 
ENDBRANCH  11  16
ENDBRANCH   1  11
TORSDOF 3