REMARK  Name = BDB033831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.432  -1.566   1.216  0.00  0.00    -0.283 OA
ATOM      2  C   LIG    1        0.480  -0.908   0.184  0.00  0.00    +0.235 A 
ATOM      3  C   LIG    1        1.741  -0.283  -0.236  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1        1.786   0.368  -1.464  0.00  0.00    +0.184 A 
ATOM      5  C   LIG    1        2.979   0.959  -1.871  0.00  0.00    +0.203 A 
ATOM      6  C   LIG    1        4.115   0.900  -1.062  0.00  0.00    +0.176 A 
ATOM      7  C   LIG    1        4.065   0.245   0.167  0.00  0.00    +0.064 A 
ATOM      8 BR   LIG    1        5.594   0.152   1.279  0.00  0.00    -0.046 Br
ATOM      9  O   LIG    1        0.704   0.446  -2.298  0.00  0.00    -0.443 OA
ATOM     10  C   LIG    1       -0.512  -0.089  -1.889  0.00  0.00    +0.254 A 
ATOM     11  C   LIG    1        2.876  -0.352   0.586  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -0.697  -0.711  -0.710  0.00  0.00    +0.222 A 
ENDROOT
BRANCH  10  13
ATOM     13  C   LIG    1       -1.599   0.121  -2.902  0.00  0.00    +0.454 C 
ATOM     14  F   LIG    1       -2.790  -0.442  -2.579  0.00  0.00    -0.163 F 
ATOM     15  F   LIG    1       -1.843   1.446  -3.088  0.00  0.00    -0.163 F 
ATOM     16  F   LIG    1       -1.253  -0.387  -4.114  0.00  0.00    -0.163 F 
ENDBRANCH  10  13
BRANCH   6  17
ATOM     17  O   LIG    1        5.250   1.508  -1.535  0.00  0.00    -0.502 OA
ATOM     18  H   LIG    1        5.950   1.378  -0.867  0.00  0.00    +0.292 HD
ENDBRANCH   6  17
BRANCH   5  19
ATOM     19  O   LIG    1        3.052   1.608  -3.074  0.00  0.00    -0.501 OA
ATOM     20  H   LIG    1        3.973   1.931  -3.141  0.00  0.00    +0.292 HD
ENDBRANCH   5  19
BRANCH  12  21
ATOM     21  O   LIG    1       -1.923  -1.243  -0.341  0.00  0.00    -0.448 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.464  -0.824   0.852  0.00  0.00    +0.129 A 
ATOM     23  C   LIG    1       -2.540   0.525   1.213  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1       -3.135   0.885   2.424  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1       -3.661  -0.102   3.259  0.00  0.00    +0.018 A 
ATOM     26 BR   LIG    1       -4.465   0.388   4.897  0.00  0.00    -0.050 Br
ATOM     27  C   LIG    1       -3.604  -1.446   2.891  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -3.011  -1.806   1.680  0.00  0.00    +0.047 A 
ENDBRANCH  21  22
ENDBRANCH  12  21
TORSDOF 5