REMARK  Name = BDB041960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.539  -0.039   0.556  0.00  0.00    -0.206 N 
ATOM      2  C   LIG    1        0.373  -0.856   1.165  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1        0.186  -1.650   2.064  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        1.655  -0.598   0.519  0.00  0.00    +0.085 A 
ATOM      5  C   LIG    1        1.438   0.326  -0.486  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1        2.455   0.780  -1.306  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        3.737   0.270  -1.079  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        3.964  -0.670  -0.054  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        2.910  -1.108   0.751  0.00  0.00    +0.136 A 
ATOM     10  F   LIG    1        3.139  -2.000   1.720  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        0.014   0.654  -0.481  0.00  0.00    +0.256 C 
ATOM     12  O   LIG    1       -0.518   1.381  -1.296  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  17
ATOM     13  O   LIG    1       -4.474   2.076  -0.147  0.00  0.00    -0.252 OA
ATOM     14  C   LIG    1       -3.708   1.141   0.003  0.00  0.00    +0.308 C 
ATOM     15  N   LIG    1       -2.652   1.123   0.880  0.00  0.00    -0.273 N 
ATOM     16  H   LIG    1       -2.436   1.916   1.467  0.00  0.00    +0.153 HD
ATOM     17  C   LIG    1       -1.944  -0.119   0.832  0.00  0.00    +0.260 C 
ATOM     18  C   LIG    1       -2.701  -0.830  -0.304  0.00  0.00    +0.260 C 
ATOM     19  O   LIG    1       -2.411  -1.898  -0.822  0.00  0.00    -0.271 OA
ATOM     20  N   LIG    1       -3.756  -0.043  -0.655  0.00  0.00    -0.237 N 
ATOM     21  H   LIG    1       -4.391  -0.235  -1.411  0.00  0.00    +0.159 HD
ENDBRANCH   1  17
TORSDOF 1