REMARK  Name = LIG000548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.098  -0.343  -0.629  0.00  0.00    -0.032 A 
ATOM      2  C   LIG    1        0.864  -0.362   0.394  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1        2.088  -1.018   0.220  0.00  0.00    +0.159 A 
ATOM      4  C   LIG    1        2.377  -1.633  -0.998  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        1.432  -1.615  -2.025  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        0.204  -0.977  -1.843  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1  13
ATOM      7  O   LIG    1       -4.126   2.928   1.372  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -3.288   2.204   0.841  0.00  0.00    +0.219 C 
ATOM      9  N   LIG    1       -3.015   0.955   1.338  0.00  0.00    -0.256 N 
ATOM     10  H   LIG    1       -3.530   0.685   2.166  0.00  0.00    +0.157 HD
ATOM     11  C   LIG    1       -2.178  -0.006   0.816  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -2.118  -1.114   1.345  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -1.427   0.374  -0.461  0.00  0.00    +0.106 C 
ATOM     14  C   LIG    1       -1.220   1.892  -0.524  0.00  0.00    +0.026 C 
ATOM     15  C   LIG    1       -2.564   2.597  -0.422  0.00  0.00    +0.097 C 
ENDBRANCH   1  13
BRANCH   3  16
ATOM     16  O   LIG    1        2.941  -0.963   1.293  0.00  0.00    -0.322 OA
BRANCH  16  17
ATOM     17  S   LIG    1        4.111  -2.075   1.520  0.00  0.00    +0.292 S 
ATOM     18  F   LIG    1        4.688  -1.766   2.973  0.00  0.00    -0.027 F 
ATOM     19  O   LIG    1        5.213  -1.802   0.618  0.00  0.00    -0.103 OA
ATOM     20  O   LIG    1        3.518  -3.393   1.626  0.00  0.00    -0.103 OA
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 3