COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.386  -0.111   0.009  1.00  0.00           C  
HETATM    2  C   UNL     1       2.410   0.785  -0.416  1.00  0.00           C  
HETATM    3  C   UNL     1       1.107   0.317  -0.586  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.554  -1.528  -0.504  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.071  -1.332  -1.217  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.319  -2.329  -1.645  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.971  -0.970   0.397  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.916   0.815   1.799  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.800   0.874   0.536  1.00  0.00           C  
HETATM   10  C   UNL     1       1.541   2.868  -1.101  1.00  0.00           C  
HETATM   11  C   UNL     1       0.829  -1.018  -0.326  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.637  -1.649  -0.881  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.863  -2.014  -0.249  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.820  -2.627  -1.541  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.739  -0.666  -0.025  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.118   0.370   0.782  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.120  -0.393  -2.424  1.00  0.00           C  
HETATM   18  C   UNL     1       1.963   4.275  -1.538  1.00  0.00           C  
HETATM   19  C   UNL     1       3.845   4.142   0.140  1.00  0.00           C  
HETATM   20  C   UNL     1       3.033  -1.434   0.250  1.00  0.00           C  
HETATM   21  C   UNL     1       3.349   2.740   0.511  1.00  0.00           C  
HETATM   22  C   UNL     1       5.201  -2.257  -0.177  1.00  0.00           C  
HETATM   23  C   UNL     1       6.271  -3.207   0.364  1.00  0.00           C  
HETATM   24  C   UNL     1       4.540  -4.658   1.237  1.00  0.00           C  
HETATM   25  C   UNL     1       3.470  -3.707   0.695  1.00  0.00           C  
HETATM   26  C   UNL     1       6.762  -5.532   0.833  1.00  0.00           C  
HETATM   27  C   UNL     1       3.083  -4.130  -0.724  1.00  0.00           C  
HETATM   28  C   UNL     1       2.403   6.122   0.014  1.00  0.00           C  
HETATM   29  C   UNL     1       1.210   6.810  -0.502  1.00  0.00           C  
HETATM   30  C   UNL     1       0.952   8.062  -0.133  1.00  0.00           C  
HETATM   31  N   UNL     1      -0.950  -2.765  -0.354  1.00  0.00           N  
HETATM   32  N   UNL     1       1.787  -1.844   0.078  1.00  0.00           N  
HETATM   33  N   UNL     1      -1.755   1.274   0.341  1.00  0.00           N  
HETATM   34  N   UNL     1      -4.557   1.795   2.708  1.00  0.00           N  
HETATM   35  N   UNL     1       2.724   4.895  -0.443  1.00  0.00           N  
HETATM   36  N   UNL     1       4.003  -2.337   0.670  1.00  0.00           N  
HETATM   37  N   UNL     1       5.738  -4.577   0.389  1.00  0.00           N  
HETATM   38  N   UNL     1       2.727   2.118  -0.666  1.00  0.00           N  
HETATM   39  N   UNL     1      -1.641  -0.799  -0.846  1.00  0.00           N  
HETATM   40  O   UNL     1      -2.141  -2.851  -0.572  1.00  0.00           O  
HETATM   41  O   UNL     1       3.099   6.660   0.854  1.00  0.00           O  
HETATM   42  S   UNL     1      -6.409  -0.002   1.795  1.00  0.00           S  
HETATM   43  H   UNL     1       4.406   0.216   0.147  1.00  0.00           H  
HETATM   44  H   UNL     1       0.324   0.985  -0.914  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.837  -3.199  -2.049  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.477  -1.473  -2.300  1.00  0.00           H  
HETATM   47  H   UNL     1       0.833   2.940  -0.276  1.00  0.00           H  
HETATM   48  H   UNL     1       1.072   2.352  -1.939  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.878  -1.626  -0.331  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.863  -2.920   0.357  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.462  -3.028  -2.489  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.648  -3.355  -0.748  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.646  -0.875  -3.279  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.159  -0.165  -2.665  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.592   0.530  -2.188  1.00  0.00           H  
HETATM   56  H   UNL     1       2.589   4.210  -2.428  1.00  0.00           H  
HETATM   57  H   UNL     1       1.078   4.871  -1.756  1.00  0.00           H  
HETATM   58  H   UNL     1       4.203   4.652   1.035  1.00  0.00           H  
HETATM   59  H   UNL     1       4.654   4.064  -0.586  1.00  0.00           H  
HETATM   60  H   UNL     1       4.191   2.132   0.842  1.00  0.00           H  
HETATM   61  H   UNL     1       2.615   2.814   1.314  1.00  0.00           H  
HETATM   62  H   UNL     1       5.583  -1.236  -0.170  1.00  0.00           H  
HETATM   63  H   UNL     1       4.944  -2.541  -1.198  1.00  0.00           H  
HETATM   64  H   UNL     1       7.150  -3.170  -0.279  1.00  0.00           H  
HETATM   65  H   UNL     1       6.547  -2.906   1.375  1.00  0.00           H  
HETATM   66  H   UNL     1       4.797  -4.373   2.257  1.00  0.00           H  
HETATM   67  H   UNL     1       4.157  -5.678   1.229  1.00  0.00           H  
HETATM   68  H   UNL     1       2.591  -3.744   1.338  1.00  0.00           H  
HETATM   69  H   UNL     1       7.044  -5.310   1.863  1.00  0.00           H  
HETATM   70  H   UNL     1       6.364  -6.545   0.775  1.00  0.00           H  
HETATM   71  H   UNL     1       7.639  -5.449   0.191  1.00  0.00           H  
HETATM   72  H   UNL     1       2.766  -5.173  -0.718  1.00  0.00           H  
HETATM   73  H   UNL     1       2.264  -3.504  -1.079  1.00  0.00           H  
HETATM   74  H   UNL     1       3.941  -4.014  -1.385  1.00  0.00           H  
HETATM   75  H   UNL     1       0.544   6.300  -1.182  1.00  0.00           H  
HETATM   76  H   UNL     1       1.618   8.572   0.546  1.00  0.00           H  
HETATM   77  H   UNL     1       0.076   8.567  -0.512  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.177   2.060   3.405  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.686   2.218   2.647  1.00  0.00           H  
CONECT    1    2    2   20   43                                       
CONECT    2   38    1    1    3                                       
CONECT    3    2   11   11   44                                       
CONECT    4   39   11   31   31                                       
CONECT    5   17   14   12   15                                       
CONECT    6   14   13   45   46                                       
CONECT    7   15   15   13   42                                       
CONECT    8   16   16   42   34                                       
CONECT    9   33   33   33   16                                       
CONECT   10   18   38   47   48                                       
CONECT   11    3    3    4   32                                       
CONECT   12   39   39    5   40                                       
CONECT   13    6    7   49   50                                       
CONECT   14    5    6   51   52                                       
CONECT   15    5   16    7    7                                       
CONECT   16   15    9    8    8                                       
CONECT   17    5   53   54   55                                       
CONECT   18   35   10   56   57                                       
CONECT   19   35   21   58   59                                       
CONECT   20    1   32   32   36                                       
CONECT   21   19   38   60   61                                       
CONECT   22   36   23   62   63                                       
CONECT   23   22   37   64   65                                       
CONECT   24   25   37   66   67                                       
CONECT   25   36   27   24   68                                       
CONECT   26   37   69   70   71                                       
CONECT   27   25   72   73   74                                       
CONECT   28   29   41   41   35                                       
CONECT   29   30   30   28   75                                       
CONECT   30   29   29   76   77                                       
CONECT   31    4    4   40                                            
CONECT   32   11   20   20                                            
CONECT   33    9    9    9                                            
CONECT   34    8   78   79                                            
CONECT   35   28   19   18                                            
CONECT   36   20   22   25                                            
CONECT   37   23   24   26                                            
CONECT   38   21   10    2                                            
CONECT   39    4   12   12                                            
CONECT   40   12   31                                                 
CONECT   41   28   28                                                 
CONECT   42    7    8                                                 
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
