REMARK  Name = BDB053907
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.324   0.091  -0.144  0.00  0.00    +0.118 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        2.084   1.339  -2.545  0.00  0.00    +0.066 C 
ATOM      3  C   LIG    1        2.576   0.634  -1.332  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        1.809   0.110  -0.307  0.00  0.00    +0.023 A 
ATOM      5  S   LIG    1        2.833  -0.602   0.870  0.00  0.00    -0.071 S 
ATOM      6  C   LIG    1        4.220  -0.162  -0.052  0.00  0.00    +0.109 A 
ATOM      7  N   LIG    1        3.942   0.458  -1.183  0.00  0.00    -0.244 NA
BRANCH   6   8
ATOM      8  C   LIG    1        5.590  -0.493   0.386  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1        6.628  -0.477  -0.561  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        7.947  -0.776  -0.202  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        8.268  -1.090   1.124  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        7.240  -1.105   2.077  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        5.921  -0.806   1.714  0.00  0.00    +0.011 A 
BRANCH  11  14
ATOM     14  C   LIG    1        9.683  -1.428   1.524  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1       10.614  -1.035   0.611  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       10.051  -0.846   2.700  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        9.867  -2.766   1.695  0.00  0.00    -0.166 F 
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   1   4
BRANCH   1  18
ATOM     18  S   LIG    1       -0.250   1.629   0.655  0.00  0.00    -0.120 S 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.012   1.461   0.438  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1       -2.714   0.351   0.927  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -4.111   0.243   0.778  0.00  0.00    -0.002 A 
ATOM     22  C   LIG    1       -4.779   1.273   0.098  0.00  0.00    +0.128 A 
ATOM     23  C   LIG    1       -4.093   2.399  -0.361  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1       -2.712   2.490  -0.192  0.00  0.00    +0.018 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -4.864  -0.957   1.335  0.00  0.00    +0.016 C 
ATOM     26  C   LIG    1       -4.548  -1.214   2.811  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1       -4.589  -2.205   0.495  0.00  0.00    +0.012 C 
ENDBRANCH  21  25
BRANCH  22  28
ATOM     28  O   LIG    1       -6.137   1.226  -0.066  0.00  0.00    -0.450 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -6.474   0.750  -1.361  0.00  0.00    +0.459 C 
ATOM     30  F   LIG    1       -7.358  -0.284  -1.166  0.00  0.00    -0.188 F 
BRANCH  29  31
ATOM     31  C   LIG    1       -7.152   1.834  -2.208  0.00  0.00    +0.379 C 
ATOM     32  O   LIG    1       -6.646   2.897  -2.537  0.00  0.00    -0.244 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -8.416   1.486  -2.580  0.00  0.00    -0.476 OA
ATOM     34  H   LIG    1       -8.668   0.623  -2.179  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  22  28
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10