REMARK  Name = BDB053069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.157   2.337   2.454  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.652   1.333   1.988  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.515   0.976   0.661  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.173  -0.299   0.493  0.00  0.00    +0.192 C 
ATOM      5  C   LIG    1       -0.463  -0.702   1.923  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -1.108  -1.822   2.427  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -1.234  -1.942   3.815  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -0.722  -0.954   4.676  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.075   0.172   4.164  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        0.040   0.267   2.790  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        0.702  -1.350  -0.209  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.976  -1.685   0.295  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.782  -2.632  -0.344  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        2.324  -3.265  -1.494  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        3.316  -4.426  -2.287  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        1.067  -2.963  -2.009  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        0.262  -2.014  -1.371  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   3  18
ATOM     18  C   LIG    1        0.942   1.808  -0.449  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.342   1.501  -0.924  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        3.452   1.815  -0.122  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        4.745   1.512  -0.552  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        4.930   0.897  -1.784  0.00  0.00    +0.123 A 
ATOM     23  F   LIG    1        6.170   0.602  -2.194  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        3.848   0.583  -2.597  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1        2.554   0.888  -2.170  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
BRANCH   4  26
ATOM     26  O   LIG    1       -1.376  -0.103  -0.259  0.00  0.00    -0.347 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -2.347   0.791   0.275  0.00  0.00    +0.172 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.477   0.910  -0.731  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1       -3.240   1.778  -1.954  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1       -4.156   2.264  -0.866  0.00  0.00    +0.012 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -4.271  -0.370  -0.886  0.00  0.00    +0.165 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -5.341  -0.234  -1.813  0.00  0.00    -0.394 OA
ATOM     33  H   LIG    1       -6.005   0.338  -1.397  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 8