REMARK  Name = BDB047293
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.183  -1.693  -0.253  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1       -0.255  -0.735   0.196  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1       -0.571   0.637   0.165  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1       -1.775   1.051  -0.437  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -2.672   0.118  -0.963  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -2.374  -1.245  -0.854  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -3.960   0.517  -1.611  0.00  0.00    +0.163 C 
ATOM      8  O   LIG    1       -4.705  -0.358  -2.048  0.00  0.00    -0.292 OA
BRANCH   7   9
ATOM      9  C   LIG    1       -4.301   1.995  -1.707  0.00  0.00    +0.076 C 
ATOM     10  C   LIG    1       -5.634   2.235  -2.399  0.00  0.00    +0.012 C 
ENDBRANCH   7   9
ENDBRANCH   5   7
BRANCH   1  11
ATOM     11  C   LIG    1       -1.014  -3.186  -0.064  0.00  0.00    +0.038 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -1.534  -3.295   2.431  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -1.912  -3.768   1.034  0.00  0.00    +0.001 C 
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  O   LIG    1        0.938  -1.111   0.765  0.00  0.00    -0.472 OA
BRANCH  14  15
ATOM     15  C   LIG    1        1.901  -1.585  -0.210  0.00  0.00    +0.311 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.849  -0.467  -0.607  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        3.778   0.062   0.303  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        4.628   1.105  -0.074  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        4.570   1.641  -1.368  0.00  0.00    +0.055 A 
ATOM     20  C   LIG    1        3.632   1.123  -2.272  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        2.783   0.079  -1.897  0.00  0.00    +0.008 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.470   2.784  -1.767  0.00  0.00    +0.417 C 
ATOM     23  F   LIG    1        6.660   2.788  -1.104  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        4.900   3.997  -1.519  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        5.783   2.783  -3.093  0.00  0.00    -0.166 F 
ENDBRANCH  19  22
ENDBRANCH  15  16
BRANCH  15  26
ATOM     26  C   LIG    1        2.655  -2.765   0.430  0.00  0.00    +0.351 C 
ATOM     27  O   LIG    1        3.489  -3.454  -0.139  0.00  0.00    -0.246 OA
BRANCH  26  28
ATOM     28  O   LIG    1        2.303  -2.985   1.726  0.00  0.00    -0.478 OA
ATOM     29  H   LIG    1        1.618  -2.333   1.999  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  15  26
ENDBRANCH  14  15
ENDBRANCH   2  14
BRANCH   3  30
ATOM     30  C   LIG    1        0.316   1.694   0.790  0.00  0.00    +0.038 C 
BRANCH  30  31
ATOM     31  C   LIG    1        0.370   1.645   2.321  0.00  0.00    +0.001 C 
ATOM     32  C   LIG    1       -0.966   1.964   2.977  0.00  0.00    +0.004 C 
ENDBRANCH  30  31
ENDBRANCH   3  30
TORSDOF 12