REMARK  Name = BDB057184
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.338   0.515   0.299  0.00  0.00    +0.146 A 
ATOM      2  N   LIG    1       -1.975   1.719   0.470  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1       -1.509   2.609   0.573  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -3.329   1.500   0.476  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -3.461   0.123   0.304  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -4.754  -0.440   0.264  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1       -5.864   0.413   0.401  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -5.683   1.781   0.571  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1       -6.759   2.569   0.698  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -4.416   2.364   0.613  0.00  0.00    +0.066 A 
ATOM     11  N   LIG    1       -2.213  -0.466   0.197  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  18
ATOM     12  C   LIG    1        6.271   0.575   0.214  0.00  0.00    +0.105 C 
ATOM     13  N   LIG    1        4.909   0.102   0.451  0.00  0.00    -0.300 NA
ATOM     14  C   LIG    1        3.936   1.190   0.188  0.00  0.00    +0.126 C 
ATOM     15  C   LIG    1        2.527   0.668   0.207  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        2.183  -0.663   0.087  0.00  0.00    -0.034 A 
ATOM     17  C   LIG    1        0.769  -0.843   0.109  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        0.086   0.352   0.242  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        3.242  -1.715  -0.020  0.00  0.00    +0.051 C 
ATOM     20  S   LIG    1        1.170   1.682   0.335  0.00  0.00    -0.089 S 
ATOM     21  C   LIG    1        4.613  -1.090  -0.374  0.00  0.00    +0.089 C 
ENDBRANCH   1  18
BRANCH   6  22
ATOM     22  C   LIG    1       -4.978  -1.892   0.085  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1       -6.108  -2.364   0.052  0.00  0.00    -0.270 OA
ATOM     24  N   LIG    1       -3.877  -2.688  -0.042  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -2.937  -2.300  -0.011  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -4.002  -3.682  -0.161  0.00  0.00    +0.145 HD
ENDBRANCH   6  22
TORSDOF 2