REMARK  Name = LIG000854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.102   0.586   0.444  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.877   0.518   0.414  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.127   0.808   1.527  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -3.647   1.134   2.331  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -1.759   0.855   1.638  0.00  0.00    +0.223 C 
ATOM      6  O   LIG    1       -1.224   1.236   2.676  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -0.958   0.343   0.458  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -1.719   0.653  -0.835  0.00  0.00    +0.023 C 
ATOM      9  C   LIG    1       -3.122   0.068  -0.812  0.00  0.00    +0.097 C 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -0.649  -1.138   0.722  0.00  0.00    +0.087 C 
BRANCH  10  11
ATOM     11  S   LIG    1        0.301  -1.968  -0.603  0.00  0.00    -0.124 S 
BRANCH  11  12
ATOM     12  C   LIG    1        1.840  -1.069  -0.535  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        2.327  -0.477  -1.706  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        3.531   0.232  -1.693  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1        4.256   0.342  -0.508  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        5.738   1.214  -0.490  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        3.789  -0.257   0.660  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1        2.585  -0.967   0.644  0.00  0.00    +0.016 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   7  10
TORSDOF 3