REMARK  Name = LIG001125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.041  -0.818   1.087  0.00  0.00    +0.054 A 
ATOM      2  C   LIG    1        0.643  -1.454   2.280  0.00  0.00    +0.062 A 
ATOM      3 CL   LIG    1        1.741  -1.614   3.610  0.00  0.00    -0.082 Cl
ATOM      4  C   LIG    1       -0.650  -1.962   2.432  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -1.569  -1.844   1.389  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -1.179  -1.223   0.200  0.00  0.00    +0.107 A 
ATOM      7  C   LIG    1        0.123  -0.733   0.037  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        2.873   0.510   0.016  0.00  0.00    +0.241 C 
ATOM      9  N   LIG    1        2.358  -0.304   1.001  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        2.945  -0.513   1.802  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        2.265   0.979  -0.938  0.00  0.00    -0.271 OA
BRANCH   8  13
ATOM     12  C   LIG    1        4.974   1.645  -0.576  0.00  0.00    +0.013 C 
ATOM     13  C   LIG    1        4.312   0.822   0.248  0.00  0.00    +0.060 C 
ENDBRANCH   8  13
ENDBRANCH   1   9
BRANCH   6  14
ATOM     14  S   LIG    1       -2.329  -1.113  -1.160  0.00  0.00    +0.060 S 
ATOM     15  O   LIG    1       -1.581  -1.354  -2.374  0.00  0.00    -0.153 OA
ATOM     16  O   LIG    1       -3.472  -1.933  -0.816  0.00  0.00    -0.153 OA
BRANCH  14  17
ATOM     17  N   LIG    1       -2.824   0.512  -1.126  0.00  0.00    -0.183 NA
ATOM     18  C   LIG    1       -1.848   1.530  -1.557  0.00  0.00    +0.131 C 
ATOM     19  C   LIG    1       -3.638   0.936   0.025  0.00  0.00    +0.131 C 
ENDBRANCH  14  17
ENDBRANCH   6  14
TORSDOF 4