REMARK  Name = BDB055406
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.312   2.710  -0.225  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1       -0.289   0.153   0.780  0.00  0.00    -0.270 OA
ATOM      3  C   LIG    1       -1.028   0.649  -0.065  0.00  0.00    +0.244 C 
ATOM      4  N   LIG    1       -0.817   1.894  -0.627  0.00  0.00    -0.311 N 
ATOM      5  H   LIG    1       -1.527   2.308  -1.219  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1       -2.230  -0.089  -0.530  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1       -2.712   0.029  -1.838  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -3.834  -0.705  -2.233  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -4.476  -1.571  -1.340  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1       -3.988  -1.693  -0.037  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -2.866  -0.959   0.364  0.00  0.00    +0.016 A 
BRANCH   9  12
ATOM     12  O   LIG    1       -5.548  -2.230  -1.871  0.00  0.00    -0.406 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -6.335  -3.027  -0.996  0.00  0.00    +0.575 C 
ATOM     14  F   LIG    1       -5.615  -4.048  -0.482  0.00  0.00    -0.133 F 
ATOM     15  F   LIG    1       -7.361  -3.553  -1.699  0.00  0.00    -0.133 F 
ATOM     16  F   LIG    1       -6.851  -2.283   0.008  0.00  0.00    -0.133 F 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1        1.570   2.287  -0.975  0.00  0.00    +0.042 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.821   3.075  -0.611  0.00  0.00    +0.175 C 
BRANCH  18  19
ATOM     19  S   LIG    1        3.397   2.902   1.063  0.00  0.00    +0.014 S 
ATOM     20  O   LIG    1        4.763   3.388   1.119  0.00  0.00    -0.168 OA
ATOM     21  O   LIG    1        2.397   3.486   1.942  0.00  0.00    -0.168 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.442   1.150   1.379  0.00  0.00    +0.176 A 
ATOM     23  N   LIG    1        3.936   0.415   0.346  0.00  0.00    -0.236 NA
ATOM     24  C   LIG    1        3.915  -0.926   0.524  0.00  0.00    +0.125 A 
ATOM     25  C   LIG    1        3.431  -1.555   1.673  0.00  0.00    +0.073 A 
ATOM     26  C   LIG    1        2.925  -0.752   2.704  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        2.928   0.632   2.562  0.00  0.00    +0.048 A 
BRANCH  25  28
ATOM     28  C   LIG    1        3.427  -3.049   1.762  0.00  0.00    +0.419 C 
ATOM     29  F   LIG    1        2.324  -3.599   1.194  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        4.493  -3.625   1.142  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        3.460  -3.507   3.043  0.00  0.00    -0.166 F 
ENDBRANCH  25  28
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9