COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.383   1.761   4.067  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.805   3.000   2.347  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.003   2.445   2.747  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.470   2.437   2.686  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.898   5.820   0.115  1.00  0.00           C  
HETATM    6  C   UNL     1       0.462   2.408   2.846  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.495   3.982   4.665  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.596   3.422   5.762  1.00  0.00           C  
HETATM    9  C   UNL     1       1.538   1.154   4.698  1.00  0.00           C  
HETATM   10  C   UNL     1       1.805   1.870   6.036  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.325  -4.026   6.746  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.674  -4.746   7.742  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.860  -6.125   7.830  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.346  -6.046   5.926  1.00  0.00           C  
HETATM   15  C   UNL     1       4.379   4.624   5.727  1.00  0.00           C  
HETATM   16  C   UNL     1       2.425   3.237   5.886  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.193   3.002   2.279  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.159   4.102   1.422  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.935   4.645   1.032  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.744   4.088   1.500  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.946   1.548   1.967  1.00  0.00           O  
HETATM   22  N   UNL     1      -5.094   2.931   3.846  1.00  0.00           N  
HETATM   23  C   UNL     1      -6.380   2.427   4.309  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.553   3.204   3.722  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.900   2.698   4.218  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.984   4.509   6.633  1.00  0.00           C  
HETATM   27  O   UNL     1       1.487   2.536   2.182  1.00  0.00           O  
HETATM   28  C   UNL     1       1.343  -0.372   4.840  1.00  0.00           C  
HETATM   29  C   UNL     1       0.136  -0.726   5.714  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.007  -2.199   5.796  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.124  -2.541   6.652  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.696  -6.775   6.922  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.159  -4.667   5.838  1.00  0.00           C  
HETATM   34  I   UNL     1      -3.592  -7.015   4.575  1.00  0.00           I  
HETATM   35  C   UNL     1       3.806   3.359   5.864  1.00  0.00           C  
HETATM   36  C   UNL     1       1.603   4.348   5.774  1.00  0.00           C  
HETATM   37  C   UNL     1       2.176   5.612   5.637  1.00  0.00           C  
HETATM   38  C   UNL     1       3.564   5.750   5.613  1.00  0.00           C  
HETATM   39  F   UNL     1       5.711   4.756   5.704  1.00  0.00           F  
HETATM   40  F   UNL     1       1.394   6.694   5.530  1.00  0.00           F  
HETATM   41  O   UNL     1       1.173  -0.946   3.544  1.00  0.00           O  
HETATM   42  H   UNL     1      -0.484   1.748   4.591  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.030   1.588   3.416  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.916   6.137  -0.141  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.375   6.668   0.575  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.363   5.584  -0.814  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.318   4.550   5.109  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.940   4.650   3.999  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.189   2.755   6.398  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.793   2.820   5.320  1.00  0.00           H  
HETATM   51  H   UNL     1       2.376   1.335   4.013  1.00  0.00           H  
HETATM   52  H   UNL     1       0.880   1.936   6.624  1.00  0.00           H  
HETATM   53  H   UNL     1       2.484   1.260   6.649  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.021  -4.247   8.453  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.354  -6.693   8.605  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.086   4.537   1.056  1.00  0.00           H  
HETATM   57  H   UNL     1       0.210   4.512   1.195  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.383   2.512   5.400  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.437   1.365   4.050  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.452   4.260   3.999  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.529   3.152   2.627  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.960   2.747   5.310  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.707   3.313   3.807  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.076   1.663   3.908  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.762   5.123   7.098  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.386   4.059   7.432  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.329   5.165   6.052  1.00  0.00           H  
HETATM   68  H   UNL     1       2.249  -0.810   5.275  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.794  -0.325   5.299  1.00  0.00           H  
HETATM   70  H   UNL     1       0.265  -0.348   6.734  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.162  -2.548   4.860  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.019  -2.055   6.250  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.934  -2.107   7.640  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.827  -7.851   7.009  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.661  -4.088   5.065  1.00  0.00           H  
HETATM   76  H   UNL     1       4.449   2.488   5.952  1.00  0.00           H  
HETATM   77  H   UNL     1       0.521   4.250   5.793  1.00  0.00           H  
HETATM   78  H   UNL     1       4.010   6.734   5.507  1.00  0.00           H  
HETATM   79  H   UNL     1       2.060  -1.023   3.161  1.00  0.00           H  
CONECT    1    9    6   42                                            
CONECT    2    3    6   20   20                                       
CONECT    3    2   17   17   43                                       
CONECT    4   21   21   22   17                                       
CONECT    5   19   44   45   46                                       
CONECT    6    1    2   27   27                                       
CONECT    7   22    8   47   48                                       
CONECT    8    7   26   49   50                                       
CONECT    9    1   10   28   51                                       
CONECT   10    9   16   52   53                                       
CONECT   11   31   33   12   12                                       
CONECT   12   11   11   13   54                                       
CONECT   13   12   32   32   55                                       
CONECT   14   34   33   33   32                                       
CONECT   15   35   35   38   39                                       
CONECT   16   10   36   36   35                                       
CONECT   17    3    3    4   18                                       
CONECT   18   17   19   19   56                                       
CONECT   19    5   18   18   20                                       
CONECT   20    2    2   19   57                                       
CONECT   21    4    4                                                 
CONECT   22    4    7   23                                            
CONECT   23   22   24   58   59                                       
CONECT   24   23   25   60   61                                       
CONECT   25   24   62   63   64                                       
CONECT   26    8   65   66   67                                       
CONECT   27    6    6                                                 
CONECT   28    9   41   29   68                                       
CONECT   29   28   30   69   70                                       
CONECT   30   29   31   71                                            
CONECT   31   11   30   72   73                                       
CONECT   32   13   13   14   74                                       
CONECT   33   11   14   14   75                                       
CONECT   34   14                                                      
CONECT   35   15   15   16   76                                       
CONECT   36   16   16   37   77                                       
CONECT   37   36   40   38   38                                       
CONECT   38   15   37   37   78                                       
CONECT   39   15                                                      
CONECT   40   37                                                      
CONECT   41   28   79                                                 
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   18                                                      
CONECT   57   20                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   38                                                      
CONECT   79   41                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
