REMARK  Name = BDB016439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.428  -0.256   0.057  0.00  0.00    +0.161 A 
ATOM      2  N   LIG    1       -2.001   1.011  -0.039  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -0.772   1.294   0.414  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.096   0.332   0.953  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.414   0.682   1.397  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        1.759   2.040   1.371  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        0.895   2.995   0.841  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -0.468  -0.943   0.997  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -0.351   2.610   0.357  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -1.702  -1.267   0.555  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -4.880   0.306  -0.312  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -3.772  -0.564  -0.460  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -3.978  -1.782  -1.147  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -5.217  -2.122  -1.693  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.289  -1.251  -1.566  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.124  -0.048  -0.882  0.00  0.00    +0.013 A 
BRANCH  11  18
ATOM     17  F   LIG    1       -4.125   1.511   1.640  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1       -4.787   1.611   0.454  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1       -6.022   2.098   0.793  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -4.202   2.617  -0.251  0.00  0.00    -0.166 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   5  21
ATOM     21  N   LIG    1        2.254  -0.291   1.964  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1        2.061  -1.219   1.600  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.698  -0.104   2.090  0.00  0.00    +0.137 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.399  -0.520   0.816  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        4.751  -1.863   0.606  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        5.378  -2.257  -0.578  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.652  -1.311  -1.563  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        6.424  -1.796  -3.023  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        5.303   0.024  -1.375  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        4.677   0.418  -0.190  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   5  21
TORSDOF 5