REMARK  Name = BDB062264
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.571   0.792  -0.465  0.00  0.00    +0.066 A 
ATOM      2  C   LIG    1       -2.589   1.310   0.322  0.00  0.00    +0.190 A 
ATOM      3  O   LIG    1       -3.776   1.075  -0.318  0.00  0.00    -0.352 OA
ATOM      4  N   LIG    1       -3.566   0.376  -1.484  0.00  0.00    -0.077 NA
ATOM      5  C   LIG    1       -2.245   0.200  -1.574  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   5   6
ATOM      6  C   LIG    1       -1.681  -0.536  -2.699  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -1.754  -1.949  -2.728  0.00  0.00    +0.065 A 
ATOM      8  C   LIG    1       -1.222  -2.637  -3.836  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -0.621  -1.948  -4.888  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.543  -0.559  -4.852  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -1.071   0.147  -3.767  0.00  0.00    +0.051 A 
ATOM     12 CL   LIG    1       -0.925   1.873  -3.801  0.00  0.00    -0.083 Cl
BRANCH   7  13
ATOM     13  C   LIG    1       -2.391  -2.737  -1.603  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -3.744  -2.625  -1.563  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -1.928  -2.379  -0.373  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -2.143  -4.077  -1.697  0.00  0.00    -0.166 F 
ENDBRANCH   7  13
ENDBRANCH   5   6
BRANCH   2  17
ATOM     17  C   LIG    1       -2.537   1.984   1.583  0.00  0.00    +0.085 A 
ATOM     18  N   LIG    1       -1.551   1.781   2.521  0.00  0.00    -0.358 N 
ATOM     19  H   LIG    1       -0.785   1.125   2.423  0.00  0.00    +0.165 HD
ATOM     20  C   LIG    1       -1.783   2.566   3.620  0.00  0.00    +0.083 A 
ATOM     21  C   LIG    1       -2.947   3.267   3.400  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -3.428   2.893   2.121  0.00  0.00    +0.031 A 
ENDBRANCH   2  17
BRANCH   1  23
ATOM     23  C   LIG    1       -0.105   0.846  -0.220  0.00  0.00    +0.270 C 
BRANCH  23  24
ATOM     24  O   LIG    1        0.241   0.012   0.890  0.00  0.00    -0.487 OA
BRANCH  24  28
ATOM     25  C   LIG    1        4.229  -0.610   1.942  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1        3.202  -1.446   2.393  0.00  0.00    +0.018 A 
ATOM     27  C   LIG    1        1.880  -1.197   2.014  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        1.571  -0.127   1.170  0.00  0.00    +0.121 A 
ATOM     29  C   LIG    1        2.594   0.709   0.719  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        3.920   0.470   1.105  0.00  0.00    +0.018 A 
BRANCH  25  32
ATOM     31  O   LIG    1        5.963  -1.828   3.086  0.00  0.00    -0.245 OA
ATOM     32  C   LIG    1        5.617  -0.903   2.374  0.00  0.00    +0.337 C 
BRANCH  32  33
ATOM     33  O   LIG    1        6.508  -0.018   1.891  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1        7.366  -0.331   2.252  0.00  0.00    +0.295 HD
ENDBRANCH  32  33
ENDBRANCH  25  32
ENDBRANCH  24  28
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 8