REMARK  Name = BDB028809
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.273   0.658   1.156  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -2.440   0.134   0.577  0.00  0.00    +0.143 A 
ATOM      3  C   LIG    1       -3.453   0.985   0.124  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -3.289   2.367   0.210  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.128   2.897   0.768  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.128   2.047   1.247  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1        0.017  -0.401   1.799  0.00  0.00    -0.109 S 
BRANCH   7  14
ATOM      8  O   LIG    1        5.024  -0.806  -1.106  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        3.907  -0.719  -0.604  0.00  0.00    +0.219 C 
ATOM     10  N   LIG    1        3.590   0.309   0.246  0.00  0.00    -0.255 N 
ATOM     11  H   LIG    1        4.330   0.974   0.429  0.00  0.00    +0.158 HD
ATOM     12  C   LIG    1        2.347   0.654   0.731  0.00  0.00    +0.233 C 
ATOM     13  O   LIG    1        2.204   1.728   1.313  0.00  0.00    -0.274 OA
ATOM     14  C   LIG    1        1.208  -0.312   0.408  0.00  0.00    +0.138 C 
ATOM     15  C   LIG    1        1.754  -1.719   0.166  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        2.791  -1.675  -0.945  0.00  0.00    +0.098 C 
ENDBRANCH   7  14
ENDBRANCH   1   7
BRANCH   2  17
ATOM     17  O   LIG    1       -2.635  -1.222   0.529  0.00  0.00    -0.405 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -2.441  -1.726  -0.785  0.00  0.00    +0.575 C 
ATOM     19  F   LIG    1       -2.418  -3.076  -0.735  0.00  0.00    -0.133 F 
ATOM     20  F   LIG    1       -3.451  -1.353  -1.601  0.00  0.00    -0.133 F 
ATOM     21  F   LIG    1       -1.267  -1.310  -1.312  0.00  0.00    -0.133 F 
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 4