REMARK  Name = LIG000558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.180  -0.265   1.307  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1       -0.181  -0.332   2.253  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        1.059   0.783   1.194  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        1.415   1.400   2.191  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.594   1.164  -0.117  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1        1.275   2.419  -0.638  0.00  0.00    +0.173 A 
ATOM      7  F   LIG    1        0.455   3.247   0.025  0.00  0.00    -0.202 F 
ATOM      8  C   LIG    1        1.798   2.810  -1.865  0.00  0.00    +0.197 A 
ATOM      9  F   LIG    1        1.487   4.010  -2.375  0.00  0.00    -0.199 F 
ATOM     10  C   LIG    1        2.645   1.959  -2.563  0.00  0.00    +0.196 A 
ATOM     11  F   LIG    1        3.150   2.334  -3.746  0.00  0.00    -0.199 F 
ATOM     12  C   LIG    1        2.976   0.717  -2.028  0.00  0.00    +0.162 A 
ATOM     13  F   LIG    1        3.800  -0.103  -2.693  0.00  0.00    -0.202 F 
ATOM     14  C   LIG    1        2.463   0.309  -0.800  0.00  0.00    +0.057 A 
ENDBRANCH   3   5
BRANCH   1  21
ATOM     15  O   LIG    1       -4.463  -1.397   1.380  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -3.284  -1.303   1.055  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -2.876  -0.369   0.138  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -3.606   0.210  -0.255  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -1.615  -0.177  -0.370  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -1.401   0.686  -1.220  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -0.485  -1.012   0.240  0.00  0.00    +0.160 C 
ATOM     22  C   LIG    1       -1.027  -2.351   0.734  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -2.209  -2.164   1.673  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
TORSDOF 2