REMARK  Name = BDB056379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.559   4.905  -0.222  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1       -0.028   3.880   0.195  0.00  0.00    +0.350 A 
ATOM      3  N   LIG    1        0.486   3.884   1.462  0.00  0.00    -0.273 N 
ATOM      4  H   LIG    1        0.379   4.744   1.976  0.00  0.00    +0.174 HD
ATOM      5  C   LIG    1        1.024   2.819   2.113  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1        1.398   2.873   3.278  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1        1.113   1.613   1.284  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1        0.569   1.644  -0.095  0.00  0.00    +0.152 A 
ATOM      9  N   LIG    1        0.577   0.484  -0.889  0.00  0.00    -0.320 N 
ATOM     10  C   LIG    1        1.344  -0.645  -0.476  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        1.799  -0.688   0.872  0.00  0.00    -0.000 A 
ATOM     12  C   LIG    1        2.455  -1.815   1.386  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.721  -2.901   0.567  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.387  -2.836  -0.780  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        1.740  -1.702  -1.329  0.00  0.00    +0.079 A 
ATOM     16  C   LIG    1        1.644   0.477   1.749  0.00  0.00    +0.027 A 
ATOM     17  N   LIG    1        0.044   2.743  -0.561  0.00  0.00    -0.175 NA
ENDROOT
BRANCH  15  18
ATOM     18  C   LIG    1        1.591  -1.694  -2.834  0.00  0.00    +0.419 C 
ATOM     19  F   LIG    1        0.487  -2.381  -3.243  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        2.642  -2.292  -3.469  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        1.497  -0.457  -3.391  0.00  0.00    -0.166 F 
ENDBRANCH  15  18
BRANCH   9  22
ATOM     22  C   LIG    1       -0.683   0.207  -1.623  0.00  0.00    +0.159 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.837  -0.092  -0.681  0.00  0.00    -0.028 A 
ATOM     24  C   LIG    1       -1.990  -1.367  -0.114  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -3.040  -1.629   0.768  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.949  -0.624   1.091  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.810   0.645   0.533  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.761   0.910  -0.348  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH   9  22
TORSDOF 3