REMARK  Name = LIG000243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.036   0.278  -0.321  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        0.676  -0.088   0.834  0.00  0.00    +0.257 C 
ATOM      3  O   LIG    1        0.192  -0.345   1.918  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        2.099  -0.153   0.521  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1        2.243   0.127  -0.826  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1        3.477   0.133  -1.454  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        4.595  -0.156  -0.664  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        4.443  -0.439   0.705  0.00  0.00    +0.159 A 
ATOM      9  F   LIG    1        5.534  -0.710   1.433  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1        3.187  -0.441   1.309  0.00  0.00    +0.171 A 
ATOM     11  F   LIG    1        3.059  -0.710   2.614  0.00  0.00    -0.202 F 
ATOM     12  C   LIG    1        0.911   0.379  -1.368  0.00  0.00    +0.255 C 
ATOM     13  O   LIG    1        0.684   0.629  -2.536  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  20
ATOM     14  O   LIG    1       -5.335  -0.653   0.351  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -4.167  -0.356   0.119  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1       -3.274  -1.298  -0.330  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -3.624  -2.244  -0.391  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -1.928  -1.136  -0.575  0.00  0.00    +0.240 C 
ATOM     19  O   LIG    1       -1.230  -2.099  -0.889  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1       -1.409   0.303  -0.501  0.00  0.00    +0.171 C 
ATOM     21  C   LIG    1       -2.166   1.083   0.570  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1       -3.653   1.060   0.246  0.00  0.00    +0.098 C 
ENDBRANCH   1  20
TORSDOF 1