REMARK  Name = BDB008525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.526   0.487  -0.475  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        0.655   0.868   0.043  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.701   0.029  -0.067  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        1.626  -1.157  -0.683  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        0.443  -1.499  -1.216  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1       -0.673  -0.707  -1.143  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -1.572   1.407  -0.344  0.00  0.00    -0.299 N 
ATOM      8  H   LIG    1       -1.212   2.238   0.117  0.00  0.00    +0.154 HD
BRANCH   7  11
ATOM      9  C   LIG    1       -4.935  -0.103   0.372  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1       -3.541   0.023   0.223  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1       -2.954   1.237  -0.150  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1       -3.795   2.337  -0.370  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -5.178   2.232  -0.218  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -5.747   1.017   0.154  0.00  0.00    +0.012 A 
BRANCH   9  16
ATOM     15  F   LIG    1       -6.834  -1.568   0.423  0.00  0.00    -0.166 F 
ATOM     16  C   LIG    1       -5.534  -1.419   0.803  0.00  0.00    +0.417 C 
ATOM     17  F   LIG    1       -5.518  -1.579   2.154  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1       -4.873  -2.494   0.289  0.00  0.00    -0.166 F 
ENDBRANCH   9  16
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1        2.880   0.490   0.511  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1        2.712   1.398   0.917  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        4.173  -0.028   0.636  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        5.141   0.741   1.306  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        6.453   0.285   1.466  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        6.824  -0.955   0.958  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.883  -1.732   0.291  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.571  -1.270   0.133  0.00  0.00    +0.023 A 
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 5