REMARK  Name = BDB059352
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.102   0.874  -0.869  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.072   0.537   0.059  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.904  -0.221   0.726  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.384   1.492  -1.894  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.630   0.455  -1.294  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -2.299   0.833  -1.495  0.00  0.00    +0.061 A 
ATOM      7  C   LIG    1       -1.296   0.451  -0.593  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1       -1.649  -0.311   0.521  0.00  0.00    +0.139 A 
ATOM      9  F   LIG    1       -0.713  -0.709   1.397  0.00  0.00    -0.204 F 
ATOM     10  C   LIG    1       -2.978  -0.684   0.751  0.00  0.00    -0.011 A 
ATOM     11  C   LIG    1       -3.327  -1.525   1.943  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -3.965  -0.302  -0.171  0.00  0.00    +0.051 A 
BRANCH   5  13
ATOM     13  O   LIG    1       -4.491   0.900  -2.256  0.00  0.00    -0.492 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -6.715   1.375  -1.414  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1       -5.844   0.448  -2.244  0.00  0.00    +0.225 C 
ENDBRANCH  13  15
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  N   LIG    1        2.526   0.662  -0.428  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1        2.542   1.153  -1.337  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.316  -0.845  -0.624  0.00  0.00    +0.074 S 
ATOM     19  O   LIG    1        3.444  -1.077  -2.046  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1        2.660  -1.798   0.250  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.915  -0.483   0.045  0.00  0.00    +0.107 A 
ATOM     22  C   LIG    1        5.096  -0.495   1.431  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        6.359  -0.230   1.960  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        7.432   0.037   1.108  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.248   0.037  -0.276  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.988  -0.227  -0.814  0.00  0.00    +0.028 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   2  16
TORSDOF 6