REMARK  Name = LIG001113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.884  -1.810   2.214  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1       -0.439  -1.081   1.337  0.00  0.00    +0.194 A 
ATOM      3  C   LIG    1       -1.268  -0.223   0.453  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.572   0.540  -0.491  0.00  0.00    +0.140 A 
ATOM      5  C   LIG    1       -1.253   1.378  -1.369  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -2.639   1.462  -1.312  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -3.367   0.712  -0.379  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -4.767   0.828  -0.356  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -5.535   0.104   0.552  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.909  -0.746   1.449  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.516  -0.871   1.437  0.00  0.00    +0.009 A 
ATOM     12  O   LIG    1        0.792   0.533  -0.634  0.00  0.00    -0.455 OA
ATOM     13  C   LIG    1        1.562  -0.269   0.193  0.00  0.00    +0.139 A 
ATOM     14  C   LIG    1       -2.696  -0.152   0.529  0.00  0.00    -0.004 A 
ATOM     15  C   LIG    1        1.022  -1.048   1.138  0.00  0.00    +0.098 A 
ENDROOT
BRANCH  13  16
ATOM     16  C   LIG    1        3.028  -0.181  -0.069  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        3.980  -0.914   0.660  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        5.350  -0.807   0.387  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        5.799   0.037  -0.622  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.880   0.774  -1.359  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        3.512   0.666  -1.085  0.00  0.00    +0.011 A 
ENDBRANCH  13  16
TORSDOF 1