REMARK  Name = BDB054170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.169  -1.093   1.154  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        2.167  -1.900   2.324  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1        1.403  -0.984   2.052  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1        1.591   0.232   2.601  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1        2.415   0.150   3.123  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1       -0.388   0.192   0.865  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1       -1.731   0.337   0.664  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1       -2.181   1.661   0.524  0.00  0.00    +0.096 A 
ATOM      9  C   LIG    1       -3.550   1.907   0.310  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1       -4.458   0.854   0.230  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.007  -0.454   0.359  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -2.650  -0.714   0.573  0.00  0.00    +0.046 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -1.211   2.816   0.599  0.00  0.00    +0.421 C 
ATOM     14  F   LIG    1       -1.814   4.029   0.409  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -0.581   2.917   1.802  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -0.233   2.757  -0.349  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  C   LIG    1        0.534  -1.840  -0.142  0.00  0.00    +0.091 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.621  -1.189  -0.972  0.00  0.00    -0.041 A 
ATOM     19  C   LIG    1        2.930  -1.690  -0.948  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1        3.924  -1.079  -1.706  0.00  0.00    +0.124 A 
ATOM     21  F   LIG    1        5.171  -1.567  -1.674  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        3.645   0.030  -2.494  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        2.348   0.538  -2.526  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        1.342  -0.069  -1.770  0.00  0.00    +0.004 A 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 7