REMARK  Name = BDB058960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.194  -0.123   0.221  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1        1.207   0.583  -0.400  0.00  0.00    +0.182 A 
ATOM      3  O   LIG    1        0.668   1.640  -1.070  0.00  0.00    -0.353 OA
ATOM      4  N   LIG    1       -0.694   1.675  -0.873  0.00  0.00    -0.077 NA
ATOM      5  C   LIG    1       -0.977   0.642  -0.070  0.00  0.00    +0.130 A 
ENDROOT
BRANCH   5   6
ATOM      6  C   LIG    1       -2.351   0.400   0.354  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -3.242  -0.311  -0.481  0.00  0.00    +0.065 A 
ATOM      8  C   LIG    1       -4.567  -0.515  -0.049  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -5.001  -0.036   1.186  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -4.119   0.659   2.009  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -2.801   0.880   1.598  0.00  0.00    +0.051 A 
ATOM     12 CL   LIG    1       -1.772   1.763   2.676  0.00  0.00    -0.083 Cl
BRANCH   7  13
ATOM     13  C   LIG    1       -2.812  -0.843  -1.827  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -1.632  -1.526  -1.783  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -3.709  -1.720  -2.366  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -2.654   0.133  -2.760  0.00  0.00    -0.166 F 
ENDBRANCH   7  13
ENDBRANCH   5   6
BRANCH   2  17
ATOM     17  C   LIG    1        2.655   0.487  -0.484  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1        3.424   0.235   0.661  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        4.812   0.118   0.572  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.447   0.258  -0.661  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.695   0.519  -1.804  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        3.306   0.636  -1.716  0.00  0.00    +0.011 A 
ENDBRANCH   2  17
BRANCH   1  24
ATOM     23  O   LIG    1       -0.590  -1.660   1.810  0.00  0.00    -0.245 OA
ATOM     24  C   LIG    1        0.264  -1.341   0.995  0.00  0.00    +0.343 C 
BRANCH  24  25
ATOM     25  O   LIG    1        1.319  -2.156   0.740  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        1.875  -1.883  -0.013  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 5