REMARK  Name = BDB062261
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.246   1.321  -0.443  0.00  0.00    +0.050 A 
ATOM      2  C   LIG    1       -1.768   2.329   0.347  0.00  0.00    +0.176 A 
ATOM      3  O   LIG    1       -2.630   1.762   1.243  0.00  0.00    -0.353 OA
ATOM      4  N   LIG    1       -2.680   0.399   1.068  0.00  0.00    -0.077 NA
ATOM      5  C   LIG    1       -1.844   0.122   0.058  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   5   6
ATOM      6  C   LIG    1       -1.672  -1.264  -0.373  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -1.146  -2.227   0.522  0.00  0.00    +0.065 A 
ATOM      8  C   LIG    1       -0.982  -3.558   0.081  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.325  -3.936  -1.215  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -1.860  -2.994  -2.086  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -2.042  -1.670  -1.671  0.00  0.00    +0.051 A 
ATOM     12 CL   LIG    1       -2.786  -0.603  -2.817  0.00  0.00    -0.083 Cl
BRANCH   7  13
ATOM     13  C   LIG    1       -0.790  -1.909   1.960  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -0.243  -0.681   2.163  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        0.131  -2.787   2.464  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -1.861  -2.002   2.795  0.00  0.00    -0.166 F 
ENDBRANCH   7  13
ENDBRANCH   5   6
BRANCH   2  17
ATOM     17  C   LIG    1       -1.497   3.865   0.329  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -0.620   4.559  -0.474  0.00  0.00    +0.094 A 
ATOM     19  N   LIG    1       -0.704   5.889  -0.141  0.00  0.00    -0.366 N 
ATOM     20  H   LIG    1       -0.167   6.634  -0.568  0.00  0.00    +0.165 HD
ATOM     21  C   LIG    1       -1.618   6.051   0.866  0.00  0.00    +0.083 A 
ATOM     22  C   LIG    1       -2.125   4.810   1.180  0.00  0.00    +0.030 A 
ENDBRANCH   2  17
BRANCH   1  24
ATOM     23  C   LIG    1        0.803   0.902  -1.817  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1       -0.374   1.494  -1.560  0.00  0.00    +0.014 C 
BRANCH  23  28
ATOM     25  C   LIG    1        2.998  -1.844   0.611  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1        2.684  -0.573   1.104  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        1.955   0.327   0.320  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        1.535  -0.035  -0.963  0.00  0.00    -0.025 A 
ATOM     29  C   LIG    1        1.870  -1.299  -1.464  0.00  0.00    +0.009 A 
ATOM     30  C   LIG    1        2.591  -2.204  -0.679  0.00  0.00    +0.015 A 
BRANCH  25  32
ATOM     31  O   LIG    1        4.237  -2.499   2.569  0.00  0.00    -0.245 OA
ATOM     32  C   LIG    1        3.763  -2.768   1.482  0.00  0.00    +0.337 C 
BRANCH  32  33
ATOM     33  O   LIG    1        3.893  -3.997   0.949  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1        4.399  -4.488   1.630  0.00  0.00    +0.295 HD
ENDBRANCH  32  33
ENDBRANCH  25  32
ENDBRANCH  23  28
ENDBRANCH   1  24
TORSDOF 7