COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.685   0.225  -0.576  1.00  0.00           C  
HETATM    2  C   UNL     1       5.503   1.322  -0.735  1.00  0.00           C  
HETATM    3  C   UNL     1       6.565   1.535   0.146  1.00  0.00           C  
HETATM    4  C   UNL     1       7.443   2.714  -0.024  1.00  0.00           C  
HETATM    5  O   UNL     1       8.467   2.919   0.826  1.00  0.00           O  
HETATM    6  O   UNL     1       7.240   3.496  -0.930  1.00  0.00           O  
HETATM    7  C   UNL     1       6.798   0.636   1.188  1.00  0.00           C  
HETATM    8  C   UNL     1       5.980  -0.461   1.347  1.00  0.00           C  
HETATM    9  C   UNL     1       4.918  -0.674   0.466  1.00  0.00           C  
HETATM   10  C   UNL     1       4.040  -1.853   0.637  1.00  0.00           C  
HETATM   11  O   UNL     1       4.521  -2.968   0.682  1.00  0.00           O  
HETATM   12  N   UNL     1       2.706  -1.690   0.743  1.00  0.00           N  
HETATM   13  C   UNL     1       2.072  -0.357   0.572  1.00  0.00           C  
HETATM   14  C   UNL     1       1.523  -0.244  -0.775  1.00  0.00           C  
HETATM   15  C   UNL     1       1.844  -2.786   1.016  1.00  0.00           C  
HETATM   16  C   UNL     1       1.429  -3.619  -0.241  1.00  0.00           C  
HETATM   17  C   UNL     1       1.220  -2.610  -1.417  1.00  0.00           C  
HETATM   18  N   UNL     1       0.615  -1.389  -1.042  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.723  -1.264  -0.938  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.440  -2.216  -1.162  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.328   0.058  -0.543  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.852  -0.071  -0.499  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.360  -0.342  -1.850  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.460   1.233   0.022  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.949   1.064   0.182  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.486   0.815   1.431  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.853   0.661   1.579  1.00  0.00           C  
HETATM   28  F   UNL     1      -7.377   0.418   2.800  1.00  0.00           F  
HETATM   29  C   UNL     1      -7.685   0.756   0.473  1.00  0.00           C  
HETATM   30  F   UNL     1      -9.019   0.605   0.617  1.00  0.00           F  
HETATM   31  C   UNL     1      -7.146   1.005  -0.777  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.779   1.165  -0.921  1.00  0.00           C  
HETATM   33  F   UNL     1      -5.253   1.414  -2.141  1.00  0.00           F  
HETATM   34  H   UNL     1       3.861   0.063  -1.254  1.00  0.00           H  
HETATM   35  H   UNL     1       5.323   2.018  -1.541  1.00  0.00           H  
HETATM   36  H   UNL     1       9.013   3.703   0.675  1.00  0.00           H  
HETATM   37  H   UNL     1       7.619   0.800   1.870  1.00  0.00           H  
HETATM   38  H   UNL     1       6.160  -1.157   2.153  1.00  0.00           H  
HETATM   39  H   UNL     1       1.270  -0.241   1.301  1.00  0.00           H  
HETATM   40  H   UNL     1       2.818   0.422   0.727  1.00  0.00           H  
HETATM   41  H   UNL     1       0.967   0.689  -0.863  1.00  0.00           H  
HETATM   42  H   UNL     1       2.338  -0.250  -1.499  1.00  0.00           H  
HETATM   43  H   UNL     1       2.344  -3.451   1.721  1.00  0.00           H  
HETATM   44  H   UNL     1       0.940  -2.404   1.490  1.00  0.00           H  
HETATM   45  H   UNL     1       2.220  -4.326  -0.495  1.00  0.00           H  
HETATM   46  H   UNL     1       0.501  -4.155  -0.041  1.00  0.00           H  
HETATM   47  H   UNL     1       2.190  -2.396  -1.865  1.00  0.00           H  
HETATM   48  H   UNL     1       0.591  -3.085  -2.170  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.960   0.347   0.442  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.049   0.818  -1.272  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.128  -0.891   0.164  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.117   0.404  -2.484  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.024  -1.230  -2.191  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.017   1.480   0.987  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.259   2.036  -0.687  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.838   0.741   2.292  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.793   1.079  -1.638  1.00  0.00           H  
CONECT    1    9    9    2   34                                       
CONECT    2    1    3    3   35                                       
CONECT    3    2    2    7    4                                       
CONECT    4    3    6    6    5                                       
CONECT    5    4   36                                                 
CONECT    6    4    4                                                 
CONECT    7    3    8    8   37                                       
CONECT    8    7    7    9   38                                       
CONECT    9    1    1    8   10                                       
CONECT   10    9   12   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   10   15   13                                            
CONECT   13   12   14   39   40                                       
CONECT   14   13   18   41   42                                       
CONECT   15   12   16   43   44                                       
CONECT   16   15   17   45   46                                       
CONECT   17   16   18   47   48                                       
CONECT   18   14   17   19                                            
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   49   50                                       
CONECT   22   21   24   23   51                                       
CONECT   23   22   52   53                                            
CONECT   24   22   25   54   55                                       
CONECT   25   24   32   32   26                                       
CONECT   26   25   27   27   56                                       
CONECT   27   26   26   29   28                                       
CONECT   28   27                                                      
CONECT   29   27   31   31   30                                       
CONECT   30   29                                                      
CONECT   31   29   29   32   57                                       
CONECT   32   25   25   31   33                                       
CONECT   33   32                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   26                                                      
CONECT   57   31                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
