REMARK  Name = BDB016441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.543   0.583  -0.220  0.00  0.00    +0.161 A 
ATOM      2  N   LIG    1        2.560  -0.758  -0.243  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1        1.388  -1.400  -0.156  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.153  -0.742  -0.077  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.077  -1.471  -0.011  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -1.000  -2.868   0.062  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        0.228  -3.522  -0.011  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        0.270   0.646  -0.060  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1        1.403  -2.784  -0.131  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        1.432   1.328  -0.142  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        5.024   0.826   0.287  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1        3.835   1.283  -0.333  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        3.906   2.466  -1.103  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        5.103   3.162  -1.280  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        6.268   2.692  -0.690  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.229   1.535   0.087  0.00  0.00    +0.013 A 
BRANCH  11  18
ATOM     17  F   LIG    1        4.021  -0.460   2.069  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1        5.051  -0.398   1.179  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1        6.177  -0.443   1.959  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.061  -1.574   0.493  0.00  0.00    -0.166 F 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   5  21
ATOM     21  N   LIG    1       -2.298  -0.781   0.092  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1       -2.313   0.052  -0.492  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.565  -1.498   0.031  0.00  0.00    +0.137 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.696  -0.497   0.117  0.00  0.00    -0.029 A 
ATOM     25  C   LIG    1       -5.479  -0.199  -1.008  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1       -6.516   0.738  -0.926  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1       -7.434   1.043  -2.358  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1       -6.776   1.389   0.284  0.00  0.00    +0.059 A 
ATOM     29 CL   LIG    1       -8.039   2.555   0.458  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1       -5.995   1.102   1.407  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -4.961   0.167   1.323  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   5  21
TORSDOF 5