REMARK  Name = BDB047930
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.688  -1.974  -0.528  0.00  0.00    +0.082 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.529  -1.198   0.484  0.00  0.00    +0.232 C 
BRANCH   2   3
ATOM      3  O   LIG    1       -2.913  -1.269   0.136  0.00  0.00    -0.490 OA
BRANCH   3   5
ATOM      4  C   LIG    1       -4.839  -0.289  -0.799  0.00  0.00    -0.002 A 
ATOM      5  C   LIG    1       -3.445  -0.287  -0.651  0.00  0.00    +0.142 A 
ATOM      6  C   LIG    1       -2.732   0.699  -1.324  0.00  0.00    +0.157 A 
ATOM      7  N   LIG    1       -3.292   1.663  -2.098  0.00  0.00    -0.247 NA
ATOM      8  C   LIG    1       -4.646   1.661  -2.228  0.00  0.00    +0.144 A 
ATOM      9  C   LIG    1       -5.438   0.702  -1.593  0.00  0.00    +0.039 A 
BRANCH   8  10
ATOM     10  C   LIG    1       -5.327   2.723  -3.081  0.00  0.00    +0.434 C 
ATOM     11  F   LIG    1       -6.206   3.484  -2.362  0.00  0.00    -0.164 F 
ATOM     12  F   LIG    1       -4.475   3.605  -3.676  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -6.066   2.181  -4.095  0.00  0.00    -0.164 F 
ENDBRANCH   8  10
BRANCH   4  14
ATOM     14  C   LIG    1       -5.720  -1.312  -0.115  0.00  0.00    +0.038 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -5.439  -0.524   2.297  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -6.405  -0.784   1.150  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        0.792  -1.958  -0.169  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.247  -0.606  -0.197  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.557  -0.379   0.119  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        2.933   0.965   0.115  0.00  0.00    +0.052 A 
ATOM     21  C   LIG    1        4.247   1.352   0.423  0.00  0.00    -0.005 A 
ATOM     22  C   LIG    1        4.618   2.810   0.409  0.00  0.00    +0.047 C 
ATOM     23  C   LIG    1        5.201   0.370   0.737  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1        4.822  -0.975   0.739  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        3.507  -1.348   0.431  0.00  0.00    +0.049 A 
BRANCH  23  26
ATOM     26  O   LIG    1        6.455   0.835   1.024  0.00  0.00    -0.481 OA
BRANCH  26  27
ATOM     27  C   LIG    1        7.468  -0.116   1.312  0.00  0.00    +0.349 C 
BRANCH  27  28
ATOM     28  C   LIG    1        8.802   0.572   1.588  0.00  0.00    +0.343 C 
ATOM     29  O   LIG    1        9.003   1.776   1.580  0.00  0.00    -0.247 OA
BRANCH  28  30
ATOM     30  O   LIG    1        9.798  -0.313   1.859  0.00  0.00    -0.478 OA
ATOM     31  H   LIG    1        9.530  -1.250   1.837  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 13