REMARK  Name = BDB046092
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.833  -0.387  -0.385  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -0.243   0.118   0.330  0.00  0.00    -0.013 A 
ATOM      3  C   LIG    1       -0.302   1.264   1.290  0.00  0.00    +0.053 C 
ATOM      4  C   LIG    1       -1.456   2.260   1.039  0.00  0.00    +0.086 C 
ATOM      5  N   LIG    1       -2.845   1.807   0.851  0.00  0.00    -0.312 NA
ATOM      6  H   LIG    1       -3.050   1.794  -0.150  0.00  0.00    +0.122 HD
ATOM      7  C   LIG    1       -3.171   0.481   1.383  0.00  0.00    +0.117 C 
ATOM      8  C   LIG    1       -2.714  -0.624   0.461  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -3.599  -1.611  -0.011  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -3.169  -2.611  -0.886  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -1.844  -2.668  -1.331  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -0.970  -1.689  -0.852  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -1.373  -0.697   0.029  0.00  0.00    +0.008 A 
ATOM     14  N   LIG    1        0.365  -1.474  -1.097  0.00  0.00    -0.354 N 
ATOM     15  H   LIG    1        0.937  -2.055  -1.693  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  20
ATOM     16  F   LIG    1        6.202   1.148  -0.593  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        4.915   0.782  -0.543  0.00  0.00    +0.123 A 
ATOM     18  C   LIG    1        4.335   0.484   0.684  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        2.992   0.103   0.736  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        2.233   0.019  -0.440  0.00  0.00    -0.001 A 
ATOM     21  C   LIG    1        2.837   0.322  -1.669  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        4.179   0.705  -1.720  0.00  0.00    +0.039 A 
ENDBRANCH   1  20
TORSDOF 1