REMARK  Name = BDB049705
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.306   0.110  -0.081  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -1.067  -0.932   0.479  0.00  0.00    +0.068 A 
ATOM      3  C   LIG    1       -2.462  -0.932   0.400  0.00  0.00    +0.163 A 
ATOM      4  F   LIG    1       -3.146  -1.947   0.948  0.00  0.00    -0.202 F 
ATOM      5  C   LIG    1       -3.139   0.095  -0.232  0.00  0.00    +0.193 A 
ATOM      6  F   LIG    1       -4.477   0.087  -0.303  0.00  0.00    -0.199 F 
ATOM      7  C   LIG    1       -2.412   1.130  -0.790  0.00  0.00    +0.163 A 
ATOM      8  F   LIG    1       -3.043   2.138  -1.408  0.00  0.00    -0.202 F 
ATOM      9  C   LIG    1       -1.017   1.145  -0.720  0.00  0.00    +0.068 A 
ENDROOT
BRANCH   1  12
ATOM     10  O   LIG    1        1.602  -1.883   1.179  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1        1.921  -0.854   0.602  0.00  0.00    +0.262 A 
ATOM     12  N   LIG    1        1.124   0.121  -0.006  0.00  0.00    -0.246 N 
ATOM     13  S   LIG    1        2.062   1.393  -0.689  0.00  0.00    -0.012 S 
ATOM     14  C   LIG    1        3.526   0.649  -0.176  0.00  0.00    +0.069 A 
ATOM     15  C   LIG    1        3.354  -0.499   0.478  0.00  0.00    +0.079 A 
ENDBRANCH   1  12
TORSDOF 1