REMARK  Name = BDB028768
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.817  -1.215   0.290  0.00  0.00    -0.112 S 
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1       -5.615   0.051   0.465  0.00  0.00    -0.275 OA
ATOM      3  C   LIG    1       -4.425   0.077   0.165  0.00  0.00    +0.219 C 
ATOM      4  N   LIG    1       -3.546   0.888   0.836  0.00  0.00    -0.255 N 
ATOM      5  H   LIG    1       -3.953   1.474   1.552  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1       -2.222   1.123   0.552  0.00  0.00    +0.233 C 
ATOM      7  O   LIG    1       -1.603   1.993   1.164  0.00  0.00    -0.274 OA
ATOM      8  C   LIG    1       -1.578   0.251  -0.516  0.00  0.00    +0.138 C 
ATOM      9  C   LIG    1       -2.621  -0.160  -1.555  0.00  0.00    +0.033 C 
ATOM     10  C   LIG    1       -3.850  -0.797  -0.922  0.00  0.00    +0.098 C 
ENDBRANCH   1   8
BRANCH   1  11
ATOM     11  C   LIG    1        0.896  -0.724   0.289  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        1.809  -1.440  -0.489  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        3.161  -1.082  -0.503  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        3.623  -0.010   0.274  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1        2.702   0.701   1.057  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        1.351   0.341   1.070  0.00  0.00    +0.015 A 
BRANCH  14  17
ATOM     17  C   LIG    1        5.078   0.392   0.243  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1        5.502   0.962   1.404  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        5.341   1.298  -0.738  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.917  -0.658   0.017  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   1  11
TORSDOF 3