REMARK  Name = BDB050600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.700   0.308  -0.119  0.00  0.00    -0.028 C 
ATOM      2  C   LIG    1       -1.393   1.398  -1.059  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1        0.003   1.493  -1.230  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1        0.570   2.441  -2.068  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -0.287   3.311  -2.746  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -1.673   3.213  -2.572  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -2.473   4.061  -3.234  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        0.578   0.443  -0.381  0.00  0.00    -0.016 C 
ATOM      9  C   LIG    1        1.888   0.187  -0.250  0.00  0.00    +0.016 C 
ATOM     10  C   LIG    1       -2.244   2.260  -1.731  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -0.531  -0.232   0.273  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        2.450  -0.873   0.593  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1        3.149  -0.535   1.757  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        3.694  -1.536   2.565  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1        3.542  -2.874   2.205  0.00  0.00    +0.018 A 
ATOM     16 BR   LIG    1        4.279  -4.229   3.300  0.00  0.00    -0.050 Br
ATOM     17  C   LIG    1        2.852  -3.222   1.046  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        2.308  -2.220   0.238  0.00  0.00    +0.009 A 
ENDBRANCH   9  12
BRANCH   1  19
ATOM     19  C   LIG    1       -3.074  -0.065   0.318  0.00  0.00    +0.156 C 
BRANCH  19  21
ATOM     20  O   LIG    1       -3.417  -1.293  -1.793  0.00  0.00    -0.251 OA
ATOM     21  C   LIG    1       -3.840  -0.807  -0.758  0.00  0.00    +0.309 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -5.149  -0.926  -0.445  0.00  0.00    -0.480 OA
ATOM     23  H   LIG    1       -5.523  -1.430  -1.199  0.00  0.00    +0.295 HD
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 4