REMARK  Name = BDB046465
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.025   0.584   0.889  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1       -0.310  -0.627   0.725  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -0.623  -1.532  -0.306  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1       -1.796  -1.248  -1.049  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -2.580  -0.088  -0.873  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -2.150   0.832   0.088  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        0.537   2.311   1.794  0.00  0.00    +0.127 C 
ATOM      8  C   LIG    1       -0.625   1.628   1.869  0.00  0.00    -0.005 C 
ATOM      9  C   LIG    1       -1.627   1.908   2.958  0.00  0.00    +0.047 C 
ATOM     10  F   LIG    1        0.783   3.244   2.747  0.00  0.00    -0.205 F 
BRANCH   7  12
ATOM     11  C   LIG    1        2.732   2.837   0.810  0.00  0.00    +0.006 C 
ATOM     12  C   LIG    1        1.562   2.174   0.778  0.00  0.00    +0.039 C 
BRANCH  11  14
ATOM     13  C   LIG    1        3.654   1.731  -1.298  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        3.816   2.719  -0.166  0.00  0.00    -0.044 C 
ATOM     15  C   LIG    1        4.910   3.489  -0.010  0.00  0.00    +0.094 C 
BRANCH  15  16
ATOM     16  C   LIG    1        6.054   3.432  -0.931  0.00  0.00    +0.330 C 
ATOM     17  O   LIG    1        6.155   4.109  -1.937  0.00  0.00    -0.246 OA
BRANCH  16  18
ATOM     18  O   LIG    1        6.979   2.553  -0.497  0.00  0.00    -0.478 OA
ATOM     19  H   LIG    1        6.694   2.052   0.291  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  11  14
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1        0.199  -2.789  -0.684  0.00  0.00    -0.009 C 
ATOM     21  C   LIG    1        0.347  -2.902  -2.227  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -0.547  -4.039  -0.172  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1        1.646  -2.833  -0.141  0.00  0.00    +0.015 C 
ENDBRANCH   3  20
BRANCH   5  24
ATOM     24  C   LIG    1       -3.834   0.136  -1.739  0.00  0.00    -0.013 C 
ATOM     25  C   LIG    1       -4.823  -1.031  -1.531  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -3.430   0.205  -3.227  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1       -4.598   1.438  -1.409  0.00  0.00    +0.015 C 
ENDBRANCH   5  24
BRANCH   2  28
ATOM     28  O   LIG    1        0.743  -0.872   1.572  0.00  0.00    -0.482 OA
BRANCH  28  29
ATOM     29  C   LIG    1        0.285  -1.469   2.801  0.00  0.00    +0.342 C 
BRANCH  29  30
ATOM     30  C   LIG    1        1.348  -1.348   3.881  0.00  0.00    +0.424 C 
ATOM     31  F   LIG    1        0.912  -1.911   5.034  0.00  0.00    -0.167 F 
ATOM     32  F   LIG    1        1.659  -0.062   4.153  0.00  0.00    -0.167 F 
ATOM     33  F   LIG    1        2.490  -1.986   3.533  0.00  0.00    -0.167 F 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 10