REMARK  Name = BDB047141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.158   0.696   1.428  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1       -0.075  -0.403   0.540  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -1.203  -1.201   0.231  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -2.418  -0.718   0.737  0.00  0.00    +0.174 A 
ATOM      5  C   LIG    1       -2.565   0.399   1.534  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -3.962   0.470   1.789  0.00  0.00    +0.193 A 
ATOM      7  N   LIG    1       -4.614  -0.536   1.180  0.00  0.00    -0.073 NA
ATOM      8  O   LIG    1       -3.641  -1.283   0.542  0.00  0.00    -0.354 OA
ATOM      9  C   LIG    1       -1.417   1.112   1.910  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -4.676   1.494   2.598  0.00  0.00    +0.438 C 
ATOM     11  F   LIG    1       -4.872   2.643   1.896  0.00  0.00    -0.164 F 
ATOM     12  F   LIG    1       -3.969   1.846   3.708  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -5.897   1.090   3.036  0.00  0.00    -0.164 F 
ENDBRANCH   6  10
BRANCH   1  14
ATOM     14  C   LIG    1        1.070   1.402   1.970  0.00  0.00    +0.038 C 
BRANCH  14  16
ATOM     15  C   LIG    1        2.438   3.515   2.090  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        1.171   2.871   1.549  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  O   LIG    1        1.157  -0.772   0.060  0.00  0.00    -0.474 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.579  -0.239  -1.222  0.00  0.00    +0.203 C 
ATOM     19  C   LIG    1        0.629   0.788  -1.878  0.00  0.00    +0.068 C 
BRANCH  18  20
ATOM     20  C   LIG    1        1.801  -1.418  -2.194  0.00  0.00    +0.349 C 
ATOM     21  O   LIG    1        1.852  -2.608  -1.920  0.00  0.00    -0.246 OA
BRANCH  20  22
ATOM     22  O   LIG    1        2.006  -1.041  -3.476  0.00  0.00    -0.478 OA
ATOM     23  H   LIG    1        2.153  -1.890  -3.944  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  18  20
BRANCH  18  24
ATOM     24  C   LIG    1        2.962   0.438  -1.019  0.00  0.00    +0.056 C 
ATOM     25  C   LIG    1        3.993  -0.429  -0.302  0.00  0.00    +0.008 C 
ENDBRANCH  18  24
ENDBRANCH  17  18
ENDBRANCH   2  17
BRANCH   3  26
ATOM     26  C   LIG    1       -1.134  -2.515  -0.500  0.00  0.00    +0.042 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.652  -2.442  -1.937  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1       -1.605  -3.804  -2.612  0.00  0.00    +0.004 C 
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 10