REMARK  Name = BDB045609
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.157   2.673  -0.797  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -2.675   1.353  -0.435  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -1.865   0.302   0.033  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -0.412   0.412  -0.008  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        0.377  -0.574   0.449  0.00  0.00    +0.051 A 
ATOM      6  N   LIG    1       -0.187  -1.712   0.959  0.00  0.00    -0.322 N 
ATOM      7  H   LIG    1        0.400  -2.452   1.321  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -1.537  -1.927   1.043  0.00  0.00    +0.254 A 
ATOM      9  O   LIG    1       -1.995  -2.961   1.520  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -2.410  -0.833   0.527  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -3.891  -1.065   0.582  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -4.655  -0.098  -0.320  0.00  0.00    +0.024 C 
ATOM     13  C   LIG    1       -4.123   1.321  -0.165  0.00  0.00    +0.105 C 
ENDROOT
BRANCH   5  14
ATOM     14  C   LIG    1        1.844  -0.483   0.406  0.00  0.00    -0.002 A 
ATOM     15  C   LIG    1        2.590  -1.442  -0.291  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        3.985  -1.366  -0.331  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        4.662  -0.334   0.335  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1        3.914   0.629   1.028  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        2.518   0.552   1.066  0.00  0.00    +0.010 A 
BRANCH  17  20
ATOM     20  C   LIG    1        6.168  -0.238   0.274  0.00  0.00    +0.417 C 
ATOM     21  F   LIG    1        6.712   0.335   1.383  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        6.595   0.509  -0.781  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        6.777  -1.450   0.145  0.00  0.00    -0.166 F 
ENDBRANCH  17  20
ENDBRANCH   5  14
TORSDOF 2