REMARK  Name = BDB062266
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.535  -0.815   0.522  0.00  0.00    +0.176 A 
ATOM      2  C   LIG    1       -1.390  -0.058   0.340  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1       -1.838   1.287   0.530  0.00  0.00    +0.122 A 
ATOM      4  N   LIG    1       -3.154   1.332   0.764  0.00  0.00    -0.077 NA
ATOM      5  O   LIG    1       -3.583   0.026   0.760  0.00  0.00    -0.354 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -1.073   2.528   0.483  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -1.128   3.356  -0.660  0.00  0.00    +0.065 A 
ATOM      8  C   LIG    1       -0.394   4.559  -0.669  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.389   4.931   0.423  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.450   4.108   1.543  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -0.276   2.913   1.578  0.00  0.00    +0.051 A 
ATOM     12 CL   LIG    1       -0.138   1.949   3.010  0.00  0.00    -0.083 Cl
BRANCH   7  13
ATOM     13  C   LIG    1       -1.958   2.989  -1.869  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -3.293   3.155  -1.673  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -1.657   3.754  -2.961  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -1.778   1.704  -2.282  0.00  0.00    -0.166 F 
ENDBRANCH   7  13
ENDBRANCH   3   6
BRANCH   1  20
ATOM     17  C   LIG    1       -4.770  -5.329   0.710  0.00  0.00    +0.148 C 
ATOM     18  N   LIG    1       -3.731  -4.333   0.579  0.00  0.00    -0.356 N 
ATOM     19  C   LIG    1       -3.924  -2.981   0.668  0.00  0.00    +0.097 A 
ATOM     20  C   LIG    1       -2.704  -2.364   0.486  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1       -1.744  -3.384   0.287  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -2.407  -4.592   0.349  0.00  0.00    +0.086 A 
ENDBRANCH   1  20
BRANCH   2  23
ATOM     23  C   LIG    1       -0.016  -0.543   0.029  0.00  0.00    +0.270 C 
BRANCH  23  24
ATOM     24  O   LIG    1        0.872   0.522  -0.319  0.00  0.00    -0.487 OA
BRANCH  24  25
ATOM     25  C   LIG    1        2.186   0.209  -0.523  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1        3.014   1.313  -0.752  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        4.383   1.145  -0.976  0.00  0.00    +0.018 A 
ATOM     28  C   LIG    1        4.929  -0.141  -0.963  0.00  0.00    +0.059 A 
ATOM     29  C   LIG    1        4.103  -1.250  -0.758  0.00  0.00    +0.018 A 
ATOM     30  C   LIG    1        2.733  -1.075  -0.534  0.00  0.00    +0.046 A 
BRANCH  28  31
ATOM     31  C   LIG    1        6.373  -0.370  -1.199  0.00  0.00    +0.337 C 
ATOM     32  O   LIG    1        6.800  -1.293  -1.868  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1        7.160   0.520  -0.558  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1        6.692   1.092   0.079  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 8