REMARK  Name = BDB009136
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.127   1.104   1.279  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        1.938   2.491   1.369  0.00  0.00    +0.131 A 
ATOM      3  F   LIG    1        2.995   3.319   1.367  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.668   3.054   1.470  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -0.458   2.234   1.482  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -0.313   0.845   1.396  0.00  0.00    -0.046 A 
ATOM      7  C   LIG    1        0.976   0.293   1.292  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1        5.657   0.389   0.098  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        4.388   0.962   0.204  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        3.470   0.506   1.166  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1        3.868  -0.547   2.008  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        5.133  -1.130   1.889  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        6.027  -0.666   0.927  0.00  0.00    +0.024 A 
BRANCH   8  14
ATOM     14  N   LIG    1        6.554   0.839  -0.916  0.00  0.00    -0.221 N 
ATOM     15  H   LIG    1        6.519   1.845  -1.099  0.00  0.00    +0.173 HD
BRANCH  14  17
ATOM     16  C   LIG    1        7.944  -1.015  -2.268  0.00  0.00    +0.218 C 
ATOM     17  S   LIG    1        6.505   0.023  -2.401  0.00  0.00    +0.040 S 
ATOM     18  O   LIG    1        6.787   1.031  -3.401  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        5.328  -0.812  -2.483  0.00  0.00    -0.155 OA
ENDBRANCH  14  17
ENDBRANCH   8  14
ENDBRANCH   1  10
BRANCH   6  20
ATOM     20  C   LIG    1       -1.526  -0.053   1.384  0.00  0.00    +0.041 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.882  -0.502  -0.031  0.00  0.00    +0.062 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.169  -1.311  -0.006  0.00  0.00    +0.065 A 
ATOM     23  C   LIG    1       -4.466  -0.643  -0.330  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -4.522   0.827  -0.638  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -5.944   1.397  -0.613  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.924   0.465  -1.315  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -6.939  -0.914  -0.653  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -5.563  -1.420  -0.317  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -5.454  -2.857   0.040  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -6.435  -3.591   0.073  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -4.195  -3.305   0.339  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -4.097  -4.285   0.582  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -3.056  -2.564   0.316  0.00  0.00    -0.176 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 6