REMARK  Name = BDB002988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.896   1.877  -0.301  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        0.004   0.823  -0.086  0.00  0.00    +0.061 A 
ATOM      3  N   LIG    1        1.388   1.013   0.053  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1        1.741   1.972  -0.008  0.00  0.00    +0.167 HD
ATOM      5  C   LIG    1        2.235  -0.065   0.264  0.00  0.00    +0.213 A 
ATOM      6  N   LIG    1        1.819  -1.306   0.346  0.00  0.00    -0.226 NA
ATOM      7  C   LIG    1        0.431  -1.536   0.211  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1       -0.039  -2.848   0.295  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -1.401  -3.123   0.168  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -2.309  -2.084  -0.046  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -1.864  -0.756  -0.135  0.00  0.00    -0.014 A 
ATOM     12  C   LIG    1       -2.746   0.316  -0.349  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -0.482  -0.490  -0.004  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1       -2.266   1.626  -0.432  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   5  15
ATOM     15  C   LIG    1        3.745   0.228   0.406  0.00  0.00    +0.450 C 
ATOM     16  F   LIG    1        4.010   1.562   0.296  0.00  0.00    -0.163 F 
ATOM     17  F   LIG    1        4.492  -0.389  -0.550  0.00  0.00    -0.163 F 
ATOM     18  F   LIG    1        4.244  -0.161   1.611  0.00  0.00    -0.163 F 
ENDBRANCH   5  15
BRANCH   1  20
ATOM     19  O   LIG    1        0.759   3.571  -0.289  0.00  0.00    -0.296 OA
ATOM     20  C   LIG    1       -0.427   3.277  -0.394  0.00  0.00    +0.260 C 
ENDBRANCH   1  20
TORSDOF 2