REMARK  Name = BDB046388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.907  -1.135  -0.178  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -1.862  -0.458  -0.822  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -0.780   0.080  -0.100  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1       -0.741  -0.044   1.298  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1       -1.769  -0.747   1.937  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.832  -1.293   1.207  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.269   0.776  -0.902  0.00  0.00    +0.167 C 
ATOM      8  O   LIG    1       -0.064   1.347  -1.941  0.00  0.00    -0.292 OA
BRANCH   7   9
ATOM      9  C   LIG    1        1.713   0.728  -0.442  0.00  0.00    +0.084 C 
BRANCH   9  10
ATOM     10  C   LIG    1        2.671   0.868  -1.625  0.00  0.00    +0.043 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.111   0.758  -1.188  0.00  0.00    -0.047 A 
ATOM     12  C   LIG    1        4.760  -0.482  -1.186  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        6.087  -0.587  -0.761  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        6.790   0.549  -0.333  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1        6.132   1.788  -0.322  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        4.806   1.891  -0.747  0.00  0.00    +0.004 A 
BRANCH  14  17
ATOM     17  C   LIG    1        8.214   0.432   0.148  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1        8.291   0.178   1.484  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        8.946   1.564  -0.058  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        8.906  -0.571  -0.462  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   3   7
BRANCH   4  21
ATOM     21  O   LIG    1        0.299   0.549   1.959  0.00  0.00    -0.494 OA
ATOM     22  C   LIG    1        0.294   0.517   3.381  0.00  0.00    +0.277 C 
ENDBRANCH   4  21
BRANCH   1  23
ATOM     23  C   LIG    1       -4.045  -1.712  -0.986  0.00  0.00    +0.049 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.462  -1.144  -0.779  0.00  0.00    +0.102 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -4.909   1.390  -0.437  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -5.681   0.323  -1.198  0.00  0.00    +0.011 C 
ENDBRANCH  24  26
BRANCH  24  27
ATOM     27  C   LIG    1       -6.042  -1.453   0.586  0.00  0.00    +0.308 C 
ATOM     28  O   LIG    1       -6.492  -0.668   1.401  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -6.080  -2.777   0.843  0.00  0.00    -0.480 OA
ATOM     30  H   LIG    1       -6.529  -2.834   1.713  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 11