REMARK  Name = BDB047927
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.349   1.848  -2.328  0.00  0.00    +0.082 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.818   1.460  -2.438  0.00  0.00    +0.232 C 
BRANCH   2   3
ATOM      3  O   LIG    1       -2.107   0.534  -1.391  0.00  0.00    -0.492 OA
BRANCH   3   5
ATOM      4  C   LIG    1       -3.601  -0.891  -0.267  0.00  0.00    -0.005 A 
ATOM      5  C   LIG    1       -3.380   0.041  -1.299  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -4.435   0.400  -2.142  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -5.705  -0.160  -1.967  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -5.941  -1.094  -0.952  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1       -4.882  -1.447  -0.103  0.00  0.00    +0.019 A 
BRANCH   8  10
ATOM     10  C   LIG    1       -7.316  -1.680  -0.748  0.00  0.00    +0.417 C 
ATOM     11  F   LIG    1       -8.042  -1.755  -1.899  0.00  0.00    -0.166 F 
ATOM     12  F   LIG    1       -7.290  -2.946  -0.243  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1       -8.068  -0.947   0.120  0.00  0.00    -0.166 F 
ENDBRANCH   8  10
BRANCH   4  14
ATOM     14  C   LIG    1       -2.491  -1.305   0.677  0.00  0.00    +0.038 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -3.305  -0.116   2.781  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -2.182  -0.273   1.766  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   4  14
ENDBRANCH   3   5
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.065   2.622  -1.041  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.337   2.857  -0.900  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.072   1.944  -0.194  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        1.646   0.685   0.226  0.00  0.00    +0.052 A 
ATOM     21  C   LIG    1        2.508  -0.163   0.945  0.00  0.00    -0.005 A 
ATOM     22  C   LIG    1        2.019  -1.516   1.387  0.00  0.00    +0.047 C 
ATOM     23  C   LIG    1        3.818   0.257   1.240  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1        4.243   1.516   0.812  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        3.375   2.348   0.097  0.00  0.00    +0.049 A 
BRANCH  23  26
ATOM     26  O   LIG    1        4.578  -0.637   1.947  0.00  0.00    -0.481 OA
BRANCH  26  27
ATOM     27  C   LIG    1        5.948  -0.340   2.161  0.00  0.00    +0.349 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.849  -0.433   0.937  0.00  0.00    +0.345 C 
ATOM     29  O   LIG    1        7.733   0.377   0.678  0.00  0.00    -0.247 OA
BRANCH  28  30
ATOM     30  O   LIG    1        6.568  -1.546   0.203  0.00  0.00    -0.466 OA
ATOM     31  C   LIG    1        7.365  -1.687  -0.972  0.00  0.00    +0.280 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 13