REMARK  Name = LIG000042
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.510   0.695  -0.011  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.306   0.484  -0.123  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -2.397   1.509  -0.054  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -2.782   2.432   0.097  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -1.046   1.462  -0.308  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -0.397   2.504  -0.380  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -0.454   0.080  -0.576  0.00  0.00    +0.111 C 
ATOM      8  C   LIG    1       -1.317  -1.015   0.061  0.00  0.00    +0.027 C 
ATOM      9  C   LIG    1       -2.752  -0.886  -0.425  0.00  0.00    +0.097 C 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        0.985  -0.029  -0.122  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1        1.362   0.223   1.201  0.00  0.00    +0.130 A 
ATOM     12  F   LIG    1        0.431   0.556   2.106  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        2.690   0.128   1.614  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1        3.677  -0.226   0.697  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        3.325  -0.485  -0.626  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        1.992  -0.385  -1.022  0.00  0.00    +0.130 A 
ATOM     17  F   LIG    1        1.681  -0.650  -2.299  0.00  0.00    -0.205 F 
ENDBRANCH   7  10
TORSDOF 1