REMARK  Name = BDB008417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.940   3.126  -0.640  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        2.028   2.297  -0.610  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        2.308   0.946  -0.098  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        1.292  -0.012   0.010  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        1.634  -1.328   0.317  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        2.948  -1.726   0.581  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        3.931  -0.741   0.519  0.00  0.00    +0.126 A 
ATOM      8  F   LIG    1        5.204  -1.080   0.767  0.00  0.00    -0.205 F 
ATOM      9  N   LIG    1        0.474  -2.058   0.275  0.00  0.00    -0.357 N 
ATOM     10  H   LIG    1        0.424  -3.060   0.408  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -0.598  -1.244  -0.013  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -1.948  -1.841  -0.238  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -3.098  -1.065   0.385  0.00  0.00    +0.006 C 
ATOM     14  C   LIG    1       -3.277   0.330  -0.212  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1       -2.299   1.341   0.365  0.00  0.00    +0.058 C 
ATOM     16  C   LIG    1       -0.891   1.279  -0.210  0.00  0.00    +0.071 A 
ATOM     17  N   LIG    1       -0.438   2.391  -0.703  0.00  0.00    -0.175 NA
ATOM     18  C   LIG    1       -0.120   0.057  -0.092  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        3.634   0.571   0.179  0.00  0.00    +0.052 A 
ATOM     20  N   LIG    1        0.817   2.605  -1.206  0.00  0.00    -0.242 N 
ATOM     21  H   LIG    1        0.880   3.548  -1.588  0.00  0.00    +0.192 HD
ENDROOT
TORSDOF 0