REMARK  Name = BDB055811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.593  -0.090   0.243  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1        0.023   0.438  -0.913  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -1.283   0.089  -1.290  0.00  0.00    +0.099 A 
ATOM      4  C   LIG    1       -2.010  -0.789  -0.466  0.00  0.00    +0.152 A 
ATOM      5  C   LIG    1       -1.423  -1.378   0.669  0.00  0.00    +0.099 A 
ATOM      6  C   LIG    1       -0.113  -1.007   1.020  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.886   0.659  -2.549  0.00  0.00    +0.421 C 
ATOM      8  F   LIG    1       -2.872   1.560  -2.283  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -0.986   1.323  -3.326  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -2.442  -0.286  -3.354  0.00  0.00    -0.166 F 
ENDBRANCH   3   7
BRANCH   5  11
ATOM     11  C   LIG    1       -2.172  -2.381   1.511  0.00  0.00    +0.421 C 
ATOM     12  F   LIG    1       -1.365  -3.055   2.378  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1       -3.124  -1.792   2.285  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1       -2.807  -3.337   0.781  0.00  0.00    -0.166 F 
ENDBRANCH   5  11
BRANCH   1  15
ATOM     15  N   LIG    1        1.950   0.237   0.569  0.00  0.00    -0.216 N 
ATOM     16  H   LIG    1        2.106   0.180   1.578  0.00  0.00    +0.174 HD
BRANCH  15  18
ATOM     17  O   LIG    1        3.203  -1.930   0.740  0.00  0.00    -0.150 OA
ATOM     18  S   LIG    1        3.095  -0.802  -0.164  0.00  0.00    +0.074 S 
ATOM     19  O   LIG    1        2.795  -0.989  -1.565  0.00  0.00    -0.150 OA
BRANCH  18  20
ATOM     20  C   LIG    1        4.594   0.135  -0.039  0.00  0.00    +0.127 A 
ATOM     21  C   LIG    1        4.755   1.360  -0.693  0.00  0.00    +0.069 A 
ATOM     22 CL   LIG    1        3.534   2.110  -1.655  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1        5.965   2.053  -0.571  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1        7.003   1.524   0.194  0.00  0.00    +0.042 A 
ATOM     25 CL   LIG    1        8.484   2.385   0.339  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1        6.849   0.301   0.843  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        5.646  -0.396   0.726  0.00  0.00    +0.032 A 
ENDBRANCH  18  20
ENDBRANCH  15  18
ENDBRANCH   1  15
BRANCH   4  28
ATOM     28  O   LIG    1       -3.284  -1.148  -0.836  0.00  0.00    -0.453 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -4.345  -0.461  -0.290  0.00  0.00    +0.148 A 
ATOM     30  C   LIG    1       -4.264   0.680   0.507  0.00  0.00    +0.069 A 
ATOM     31  C   LIG    1       -5.440   1.260   0.979  0.00  0.00    +0.063 A 
ATOM     32 CL   LIG    1       -5.380   2.663   1.967  0.00  0.00    -0.082 Cl
ATOM     33  C   LIG    1       -6.655   0.684   0.637  0.00  0.00    +0.131 A 
ATOM     34  N   LIG    1       -6.769  -0.420  -0.138  0.00  0.00    -0.258 NA
ATOM     35  C   LIG    1       -5.610  -0.963  -0.583  0.00  0.00    +0.157 A 
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 7