REMARK  Name = BDB060830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.070  -0.530   0.051  0.00  0.00    +0.165 A 
ATOM      2  N   LIG    1        2.002   0.453   0.284  0.00  0.00    -0.316 N 
ATOM      3  H   LIG    1        1.823   1.435   0.403  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1        3.207  -0.171   0.356  0.00  0.00    +0.186 A 
ATOM      5  N   LIG    1        3.054  -1.458   0.178  0.00  0.00    -0.123 NA
ATOM      6  N   LIG    1        1.706  -1.687  -0.003  0.00  0.00    -0.128 NA
ENDROOT
BRANCH   1   9
ATOM      7  F   LIG    1       -0.888  -2.354   0.982  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -1.292  -1.231   0.370  0.00  0.00    +0.134 A 
ATOM      9  C   LIG    1       -0.362  -0.293  -0.093  0.00  0.00    +0.054 A 
ATOM     10  C   LIG    1       -0.848   0.874  -0.706  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -2.224   1.090  -0.841  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.132   0.144  -0.368  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -2.664  -1.019   0.238  0.00  0.00    +0.039 A 
ENDBRANCH   1   9
BRANCH   4  14
ATOM     14  S   LIG    1        4.673   0.681   0.640  0.00  0.00    -0.104 S 
ATOM     15  H   LIG    1        4.188   1.912   0.846  0.00  0.00    +0.110 HD
ENDBRANCH   4  14
TORSDOF 2