REMARK  Name = LIG001529
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.924  -1.934  -1.372  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.248  -1.140  -0.723  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.032  -1.329   0.619  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -3.527  -2.108   1.031  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.442  -0.462   1.506  0.00  0.00    +0.223 C 
ATOM      6  O   LIG    1       -2.502  -0.663   2.716  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.674   0.702   0.913  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -2.405   1.181  -0.346  0.00  0.00    +0.023 C 
ATOM      9  C   LIG    1       -2.579   0.057  -1.355  0.00  0.00    +0.097 C 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -0.222   0.245   0.716  0.00  0.00    +0.090 C 
BRANCH  10  11
ATOM     11  S   LIG    1        0.846   1.588   0.099  0.00  0.00    -0.085 S 
BRANCH  11  12
ATOM     12  C   LIG    1        2.414   0.753   0.059  0.00  0.00    +0.188 A 
ATOM     13  N   LIG    1        2.442  -0.587   0.168  0.00  0.00    -0.230 NA
ATOM     14  C   LIG    1        3.657  -1.164   0.121  0.00  0.00    +0.115 A 
ATOM     15  C   LIG    1        4.827  -0.461  -0.032  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        4.687   0.901  -0.138  0.00  0.00    +0.115 A 
ATOM     17  N   LIG    1        3.498   1.531  -0.098  0.00  0.00    -0.230 NA
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   7  10
TORSDOF 3