REMARK  Name = BDB047928
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.404  -0.909  -0.190  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -2.783  -0.869   0.180  0.00  0.00    -0.492 OA
BRANCH   2   4
ATOM      3  C   LIG    1       -5.044  -0.409  -0.261  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1       -3.701  -0.328  -0.678  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1       -3.399   0.288  -1.895  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -4.415   0.812  -2.701  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -5.756   0.726  -2.308  0.00  0.00    +0.055 A 
ATOM      8  C   LIG    1       -6.057   0.121  -1.080  0.00  0.00    +0.019 A 
BRANCH   7   9
ATOM      9  C   LIG    1       -6.850   1.313  -3.165  0.00  0.00    +0.417 C 
ATOM     10  F   LIG    1       -7.108   2.613  -2.856  0.00  0.00    -0.166 F 
ATOM     11  F   LIG    1       -6.553   1.297  -4.495  0.00  0.00    -0.166 F 
ATOM     12  F   LIG    1       -8.037   0.656  -3.043  0.00  0.00    -0.166 F 
ENDBRANCH   7   9
BRANCH   3  13
ATOM     13  C   LIG    1       -5.425  -1.044   1.061  0.00  0.00    +0.038 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -6.048   1.079   2.332  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -5.156  -0.154   2.278  0.00  0.00    +0.001 C 
ENDBRANCH  13  15
ENDBRANCH   3  13
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -0.700   0.376   0.241  0.00  0.00    +0.082 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.762   0.402  -0.190  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.439  -0.703   0.404  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.766  -0.852   0.114  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        3.370  -1.966   0.695  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        4.723  -2.234   0.478  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        5.495  -1.390  -0.321  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        4.894  -0.275  -0.905  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        3.534  -0.007  -0.687  0.00  0.00    +0.049 A 
BRANCH  22  25
ATOM     25  O   LIG    1        6.803  -1.767  -0.446  0.00  0.00    -0.481 OA
BRANCH  25  26
ATOM     26  C   LIG    1        7.677  -0.921  -1.175  0.00  0.00    +0.349 C 
BRANCH  26  27
ATOM     27  C   LIG    1        8.063   0.381  -0.485  0.00  0.00    +0.345 C 
ATOM     28  O   LIG    1        8.067   1.472  -1.043  0.00  0.00    -0.247 OA
BRANCH  27  29
ATOM     29  O   LIG    1        8.429   0.160   0.808  0.00  0.00    -0.466 OA
ATOM     30  C   LIG    1        8.789   1.341   1.523  0.00  0.00    +0.280 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 13