REMARK  Name = BDB055411
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.557   0.441  -0.208  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.808  -0.519  -0.072  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        1.264  -1.800   0.171  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        0.605  -2.513   0.457  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.668  -0.338  -0.121  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -1.197   0.906   0.236  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -2.578   1.119   0.207  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -3.452   0.097  -0.189  0.00  0.00    -0.044 A 
ATOM      9  C   LIG    1       -2.911  -1.143  -0.563  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -1.529  -1.360  -0.534  0.00  0.00    +0.013 A 
BRANCH   8  11
ATOM     11  C   LIG    1       -4.957   0.306  -0.232  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1       -5.354   1.386  -1.253  0.00  0.00    +0.008 C 
ATOM     13  C   LIG    1       -6.869   1.583  -1.296  0.00  0.00    +0.001 C 
ATOM     14  C   LIG    1       -7.437   1.891   0.086  0.00  0.00    +0.000 C 
ATOM     15  C   LIG    1       -7.045   0.825   1.106  0.00  0.00    +0.001 C 
ATOM     16  C   LIG    1       -5.532   0.625   1.160  0.00  0.00    +0.008 C 
ENDBRANCH   8  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1        2.684  -2.082   0.302  0.00  0.00    +0.127 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.220  -1.714   1.674  0.00  0.00    +0.192 C 
BRANCH  18  19
ATOM     19  S   LIG    1        4.936  -2.134   1.847  0.00  0.00    +0.015 S 
ATOM     20  O   LIG    1        5.355  -1.795   3.196  0.00  0.00    -0.168 OA
ATOM     21  O   LIG    1        5.108  -3.492   1.354  0.00  0.00    -0.168 OA
BRANCH  19  22
ATOM     22  C   LIG    1        5.821  -1.060   0.741  0.00  0.00    +0.176 A 
ATOM     23  N   LIG    1        5.200   0.116   0.483  0.00  0.00    -0.236 NA
ATOM     24  C   LIG    1        5.819   0.940  -0.390  0.00  0.00    +0.125 A 
ATOM     25  C   LIG    1        7.022   0.638  -1.019  0.00  0.00    +0.073 A 
ATOM     26  C   LIG    1        7.628  -0.591  -0.720  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        7.016  -1.467   0.173  0.00  0.00    +0.048 A 
BRANCH  25  28
ATOM     28  C   LIG    1        7.641   1.631  -1.956  0.00  0.00    +0.419 C 
ATOM     29  F   LIG    1        8.295   2.626  -1.298  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        6.728   2.246  -2.757  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        8.557   1.075  -2.797  0.00  0.00    -0.166 F 
ENDBRANCH  25  28
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7