REMARK  Name = LIG000047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.021  -0.093  -0.209  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1        0.369  -0.847  -0.768  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.839   0.877   0.278  0.00  0.00    +0.263 C 
ATOM      4  O   LIG    1        0.443   1.981   0.637  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.408  -0.828  -0.489  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.242  -0.447  -0.515  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -3.366  -0.924  -1.457  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -3.737  -1.658  -2.045  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -1.997  -0.866  -1.379  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -1.286  -1.646  -2.015  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -1.420   0.224  -0.471  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.250   0.292   0.807  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.701   0.580   0.453  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        2.295   0.514   0.318  0.00  0.00    +0.128 A 
ATOM     15  N   LIG    1        3.164   1.531   0.105  0.00  0.00    -0.215 NA
ATOM     16  C   LIG    1        4.472   1.221   0.142  0.00  0.00    +0.214 A 
ATOM     17  F   LIG    1        5.350   2.211  -0.069  0.00  0.00    -0.184 F 
ATOM     18  C   LIG    1        4.964  -0.052   0.379  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1        4.057  -1.082   0.599  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        2.695  -0.798   0.570  0.00  0.00    +0.033 A 
ENDBRANCH   3  14
TORSDOF 2