REMARK  Name = BDB057170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.957   0.702   0.019  0.00  0.00    +0.146 A 
ATOM      2  N   LIG    1        2.806   1.649   0.534  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1        2.523   2.509   0.979  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        4.098   1.221   0.359  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        3.974   0.000  -0.304  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        5.148  -0.704  -0.638  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        6.398  -0.165  -0.288  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1        6.467   1.054   0.374  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1        7.669   1.551   0.695  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        5.326   1.783   0.715  0.00  0.00    +0.066 A 
ATOM     11  N   LIG    1        2.644  -0.304  -0.481  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1       -3.298  -0.184  -0.454  0.00  0.00    +0.091 C 
ATOM     13  C   LIG    1       -1.906   0.362  -0.161  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -1.648   1.621   0.352  0.00  0.00    -0.034 A 
ATOM     15  C   LIG    1       -0.248   1.869   0.487  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        0.524   0.810   0.041  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1       -2.767   2.552   0.700  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -4.081   2.083   0.043  0.00  0.00    +0.086 C 
ATOM     19  S   LIG    1       -0.466  -0.463  -0.546  0.00  0.00    -0.088 S 
ATOM     20  N   LIG    1       -4.319   0.643   0.238  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1       -4.265   0.434   1.235  0.00  0.00    +0.123 HD
BRANCH  12  22
ATOM     22  C   LIG    1       -3.463  -1.665  -0.038  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -5.978  -2.020   0.392  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -4.774  -2.330  -0.483  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  12  22
ENDBRANCH   1  16
BRANCH   6  25
ATOM     25  C   LIG    1        5.076  -1.980  -1.367  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        4.405  -2.129  -2.378  0.00  0.00    -0.270 OA
ATOM     27  N   LIG    1        5.835  -3.002  -0.860  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1        6.181  -2.981   0.089  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        5.677  -3.909  -1.281  0.00  0.00    +0.145 HD
ENDBRANCH   6  25
TORSDOF 4