REMARK  Name = BDB050376
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.320   0.873  -2.587  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.591  -0.138  -2.146  0.00  0.00    -0.491 OA
BRANCH   2  11
ATOM      3  C   LIG    1        6.301   0.084   0.627  0.00  0.00    +0.144 A 
ATOM      4  C   LIG    1        5.840  -1.314   0.521  0.00  0.00    +0.351 A 
ATOM      5  O   LIG    1        6.470  -2.257   0.985  0.00  0.00    -0.244 OA
ATOM      6  O   LIG    1        4.614  -1.521  -0.110  0.00  0.00    -0.421 OA
ATOM      7  C   LIG    1        3.822  -0.450  -0.559  0.00  0.00    +0.143 A 
ATOM      8  C   LIG    1        4.256   0.862  -0.417  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        3.435   1.893  -0.874  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        2.196   1.601  -1.461  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        1.771   0.276  -1.594  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1        2.594  -0.755  -1.141  0.00  0.00    +0.092 A 
ATOM     13  C   LIG    1        5.554   1.110   0.186  0.00  0.00    +0.033 A 
BRANCH   3  14
ATOM     14  C   LIG    1        7.638   0.372   1.182  0.00  0.00    +0.346 C 
ATOM     15  O   LIG    1        8.655  -0.233   0.884  0.00  0.00    -0.245 OA
BRANCH  14  17
ATOM     16  C   LIG    1        8.817   1.749   2.658  0.00  0.00    +0.280 C 
ATOM     17  O   LIG    1        7.566   1.416   2.053  0.00  0.00    -0.464 OA
ENDBRANCH  14  17
ENDBRANCH   3  14
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -1.588   0.198  -3.109  0.00  0.00    +0.100 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.460  -0.292  -2.008  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1       -2.387  -1.460  -1.278  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1       -1.488  -2.626  -1.264  0.00  0.00    +0.088 C 
ATOM     22  O   LIG    1       -3.408  -1.451  -0.371  0.00  0.00    -0.440 OA
ATOM     23  C   LIG    1       -4.058  -0.266  -0.599  0.00  0.00    +0.228 A 
ATOM     24  N   LIG    1       -3.526   0.460  -1.566  0.00  0.00    -0.214 NA
BRANCH  23  25
ATOM     25  C   LIG    1       -5.218   0.023   0.239  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1       -5.648  -0.859   1.244  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1       -6.765  -0.563   2.047  0.00  0.00    +0.056 A 
ATOM     28  C   LIG    1       -7.466   0.631   1.821  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1       -7.051   1.516   0.827  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.935   1.213   0.044  0.00  0.00    +0.013 A 
BRANCH  27  31
ATOM     31  C   LIG    1       -7.223  -1.535   3.105  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1       -8.068  -2.481   2.609  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -7.893  -0.936   4.130  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -6.195  -2.217   3.684  0.00  0.00    -0.166 F 
ENDBRANCH  27  31
ENDBRANCH  23  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8