REMARK  Name = BDB045567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.222  -0.140   0.415  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1        0.095   0.081  -0.011  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1        0.550   1.296  -0.498  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        1.876   1.217  -0.846  0.00  0.00    -0.224 NA
ATOM      5  C   LIG    1        2.251  -0.026  -0.574  0.00  0.00    +0.213 A 
ATOM      6  C   LIG    1       -0.334   2.381  -0.569  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -1.654   2.202  -0.135  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1        1.194  -0.741  -0.066  0.00  0.00    -0.334 N 
ATOM      9  H   LIG    1        1.204  -1.710   0.237  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -2.091   0.964   0.352  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -2.929  -1.748   1.118  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -3.165  -2.701   1.364  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -3.675  -1.161   0.778  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -1.605  -1.485   0.912  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -0.755  -2.349   1.102  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  C   LIG    1        3.588  -0.664  -0.748  0.00  0.00    +0.450 C 
ATOM     17  F   LIG    1        4.546  -0.078   0.015  0.00  0.00    -0.163 F 
ATOM     18  F   LIG    1        4.018  -0.626  -2.035  0.00  0.00    -0.163 F 
ATOM     19  F   LIG    1        3.561  -1.978  -0.390  0.00  0.00    -0.163 F 
ENDBRANCH   5  16
TORSDOF 2