REMARK  Name = BDB047367
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.095  -1.232   0.043  0.00  0.00    +0.303 C 
ATOM      2  O   LIG    1        5.726  -1.028  -1.356  0.00  0.00    -0.465 OA
ATOM      3  C   LIG    1        4.506  -0.414  -1.308  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        3.942  -0.391  -0.049  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        2.700   0.183   0.159  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1        2.027   0.754  -0.930  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        2.612   0.721  -2.206  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        3.865   0.127  -2.401  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        4.831  -1.088   0.909  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        6.730  -2.596   0.215  0.00  0.00    +0.440 C 
ATOM     11  F   LIG    1        7.879  -2.731  -0.485  0.00  0.00    -0.166 F 
ATOM     12  F   LIG    1        7.015  -2.869   1.511  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1        5.895  -3.581  -0.203  0.00  0.00    -0.166 F 
ENDBRANCH   1  10
BRANCH   1  15
ATOM     14  O   LIG    1        7.794   0.498  -0.349  0.00  0.00    -0.246 OA
ATOM     15  C   LIG    1        7.170  -0.225   0.413  0.00  0.00    +0.359 C 
BRANCH  15  16
ATOM     16  O   LIG    1        7.429  -0.148   1.736  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1        8.132   0.536   1.806  0.00  0.00    +0.295 HD
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   6  18
ATOM     18  O   LIG    1        0.810   1.290  -0.613  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        0.071   1.986  -1.618  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -0.810   1.030  -2.424  0.00  0.00    +0.082 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.841   0.314  -1.552  0.00  0.00    +0.232 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.752   1.286  -1.041  0.00  0.00    -0.490 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -3.739   0.860  -0.193  0.00  0.00    +0.139 A 
ATOM     24  C   LIG    1       -4.584   1.846   0.340  0.00  0.00    +0.083 A 
ATOM     25 CL   LIG    1       -4.377   3.518  -0.057  0.00  0.00    -0.080 Cl
ATOM     26  C   LIG    1       -5.623   1.505   1.214  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1       -5.836   0.170   1.575  0.00  0.00    -0.037 A 
ATOM     28  C   LIG    1       -4.998  -0.815   1.039  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -3.960  -0.474   0.163  0.00  0.00    +0.047 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -6.962  -0.204   2.510  0.00  0.00    +0.148 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -8.227  -0.651   1.798  0.00  0.00    +0.394 C 
ATOM     32  F   LIG    1       -8.020  -1.756   1.050  0.00  0.00    -0.170 F 
ATOM     33  F   LIG    1       -9.187  -0.954   2.704  0.00  0.00    -0.170 F 
ATOM     34  F   LIG    1       -8.722   0.316   0.996  0.00  0.00    -0.170 F 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 11