REMARK  Name = BDB046458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.489  -0.165   1.030  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -2.450  -0.586   0.089  0.00  0.00    -0.002 A 
ATOM      3  C   LIG    1       -2.558   0.131  -1.117  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1       -1.759   1.255  -1.378  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -0.838   1.673  -0.407  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1       -0.697   0.977   0.803  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -3.367  -1.772   0.360  0.00  0.00    +0.016 C 
ATOM      8  C   LIG    1       -3.149  -2.897  -0.656  0.00  0.00    +0.012 C 
ATOM      9  C   LIG    1       -4.839  -1.346   0.392  0.00  0.00    +0.012 C 
ENDBRANCH   2   7
BRANCH   4  10
ATOM     10  C   LIG    1       -1.908   2.024  -2.681  0.00  0.00    +0.367 C 
ATOM     11  F   LIG    1       -0.710   2.563  -3.075  0.00  0.00    -0.190 F 
ATOM     12  F   LIG    1       -2.262   1.187  -3.709  0.00  0.00    -0.190 F 
BRANCH  10  13
ATOM     13  C   LIG    1       -2.956   3.150  -2.565  0.00  0.00    +0.459 C 
ATOM     14  F   LIG    1       -2.629   4.060  -1.613  0.00  0.00    -0.165 F 
ATOM     15  F   LIG    1       -4.187   2.672  -2.252  0.00  0.00    -0.165 F 
ATOM     16  F   LIG    1       -3.087   3.834  -3.730  0.00  0.00    -0.165 F 
ENDBRANCH  10  13
ENDBRANCH   4  10
BRANCH   6  17
ATOM     17  C   LIG    1        0.260   1.500   1.805  0.00  0.00    -0.040 C 
ATOM     18  C   LIG    1        1.599   1.449   1.658  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -0.377   2.120   3.021  0.00  0.00    +0.044 C 
BRANCH  18  20
ATOM     20  C   LIG    1        2.329   0.854   0.553  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1        3.670   0.869   0.476  0.00  0.00    +0.003 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.485   0.286  -0.594  0.00  0.00    -0.044 C 
ATOM     23  C   LIG    1        5.826   0.293  -0.448  0.00  0.00    +0.094 C 
ATOM     24  C   LIG    1        3.769  -0.247  -1.811  0.00  0.00    +0.044 C 
BRANCH  23  25
ATOM     25  C   LIG    1        6.841  -0.263  -1.354  0.00  0.00    +0.330 C 
ATOM     26  O   LIG    1        7.963   0.192  -1.490  0.00  0.00    -0.246 OA
BRANCH  25  27
ATOM     27  O   LIG    1        6.465  -1.398  -1.959  0.00  0.00    -0.478 OA
ATOM     28  H   LIG    1        7.254  -1.659  -2.477  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  21  22
ENDBRANCH  18  20
ENDBRANCH   6  17
BRANCH   1  29
ATOM     29  O   LIG    1       -1.379  -0.845   2.220  0.00  0.00    -0.491 OA
BRANCH  29  31
ATOM     30  C   LIG    1       -0.368  -2.633   3.433  0.00  0.00    +0.048 C 
ATOM     31  C   LIG    1       -0.356  -1.847   2.135  0.00  0.00    +0.226 C 
ENDBRANCH  29  31
ENDBRANCH   1  29
TORSDOF 10