REMARK  Name = LIG000553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.001   0.076  -0.314  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        0.690  -0.838   0.469  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        0.252  -1.783   1.095  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.102  -0.448   0.433  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1        2.206   0.738  -0.295  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        3.438   1.340  -0.482  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        4.560   0.719   0.077  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1        4.427  -0.474   0.807  0.00  0.00    +0.124 A 
ATOM      9  F   LIG    1        5.523  -1.040   1.331  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        3.191  -1.078   1.000  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1        0.852   1.174  -0.748  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -5.367  -0.340   0.866  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.189  -0.255   0.531  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -3.304   0.511   1.247  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -3.676   0.963   2.071  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -2.005   0.828   0.922  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -1.387   1.664   1.580  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -1.455   0.183  -0.360  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1       -2.163  -1.142  -0.641  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -3.663  -0.902  -0.729  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
TORSDOF 1