COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.775   0.961  -3.722  1.00  0.00           C  
HETATM    2  O   UNL     1       5.281   2.668  -0.635  1.00  0.00           O  
HETATM    3  O   UNL     1       3.401   3.444  -2.087  1.00  0.00           O  
HETATM    4  C   UNL     1       1.716   1.826  -0.451  1.00  0.00           C  
HETATM    5  C   UNL     1       0.812   1.068   0.302  1.00  0.00           C  
HETATM    6  C   UNL     1       1.259  -0.064   0.995  1.00  0.00           C  
HETATM    7  C   UNL     1       2.570  -0.422   0.933  1.00  0.00           C  
HETATM    8  C   UNL     1       3.361  -1.553   1.543  1.00  0.00           C  
HETATM    9  C   UNL     1       5.872  -2.248   1.431  1.00  0.00           C  
HETATM   10  C   UNL     1       6.463  -2.846   0.153  1.00  0.00           C  
HETATM   11  C   UNL     1       6.944  -1.431   2.155  1.00  0.00           C  
HETATM   12  C   UNL     1       4.808  -0.289   0.302  1.00  0.00           C  
HETATM   13  C   UNL     1       3.479   0.333   0.181  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.607   1.461   0.365  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.827   2.511   0.550  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.959   3.295   0.696  1.00  0.00           N  
HETATM   17  C   UNL     1      -6.348   3.486   0.929  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.519   0.817   0.387  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.600  -0.633   0.091  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.555  -2.768  -0.445  1.00  0.00           C  
HETATM   21  N   UNL     1       4.707   1.441  -2.698  1.00  0.00           N  
HETATM   22  S   UNL     1       4.162   2.413  -1.473  1.00  0.00           S  
HETATM   23  C   UNL     1       3.030   1.461  -0.516  1.00  0.00           C  
HETATM   24  N   UNL     1       4.744  -1.378   1.087  1.00  0.00           N  
HETATM   25  C   UNL     1       8.212  -2.164   2.599  1.00  0.00           C  
HETATM   26  C   UNL     1       8.264  -1.189   1.421  1.00  0.00           C  
HETATM   27  O   UNL     1       5.819   0.124  -0.232  1.00  0.00           O  
HETATM   28  S   UNL     1      -1.221   3.082   0.681  1.00  0.00           S  
HETATM   29  C   UNL     1      -5.220   2.707   0.676  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.597   2.892   0.913  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.684   1.535   0.637  1.00  0.00           C  
HETATM   32  N   UNL     1      -5.334   1.417   0.416  1.00  0.00           N  
HETATM   33  O   UNL     1      -7.680  -1.189   0.068  1.00  0.00           O  
HETATM   34  N   UNL     1      -5.475  -1.335  -0.152  1.00  0.00           N  
HETATM   35  C   UNL     1      -4.148  -3.320  -0.681  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.231  -4.817  -0.986  1.00  0.00           C  
HETATM   37  N   UNL     1      -2.880  -5.346  -1.213  1.00  0.00           N  
HETATM   38  C   UNL     1      -2.077  -5.284   0.016  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.933  -6.717  -1.738  1.00  0.00           C  
HETATM   40  N   UNL     1      -2.834   1.238   0.293  1.00  0.00           N  
HETATM   41  C   UNL     1      -1.667   0.643   0.186  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.524  -0.828  -0.113  1.00  0.00           C  
HETATM   43  H   UNL     1       4.326   0.413  -4.486  1.00  0.00           H  
HETATM   44  H   UNL     1       3.038   0.303  -3.262  1.00  0.00           H  
HETATM   45  H   UNL     1       3.268   1.811  -4.179  1.00  0.00           H  
HETATM   46  H   UNL     1       1.373   2.699  -0.986  1.00  0.00           H  
HETATM   47  H   UNL     1       0.564  -0.651   1.577  1.00  0.00           H  
HETATM   48  H   UNL     1       3.315  -1.498   2.631  1.00  0.00           H  
HETATM   49  H   UNL     1       2.970  -2.511   1.199  1.00  0.00           H  
HETATM   50  H   UNL     1       5.526  -3.051   2.082  1.00  0.00           H  
HETATM   51  H   UNL     1       6.809  -2.043  -0.498  1.00  0.00           H  
HETATM   52  H   UNL     1       7.302  -3.493   0.409  1.00  0.00           H  
HETATM   53  H   UNL     1       5.700  -3.428  -0.363  1.00  0.00           H  
HETATM   54  H   UNL     1       6.573  -0.634   2.799  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.873   4.254   0.813  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.248   4.540   1.141  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.012  -3.286   0.399  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.161  -2.924  -1.337  1.00  0.00           H  
HETATM   59  H   UNL     1       5.643   1.189  -2.737  1.00  0.00           H  
HETATM   60  H   UNL     1       8.674  -1.849   3.534  1.00  0.00           H  
HETATM   61  H   UNL     1       8.282  -3.229   2.374  1.00  0.00           H  
HETATM   62  H   UNL     1       8.369  -1.611   0.421  1.00  0.00           H  
HETATM   63  H   UNL     1       8.761  -0.232   1.581  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.486   3.473   1.110  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.645   1.043   0.611  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.613  -0.891  -0.134  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.691  -2.802  -1.524  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.542  -3.164   0.212  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.688  -5.334  -0.142  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.837  -4.972  -1.879  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.559  -5.876   0.795  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.082  -5.683  -0.180  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.996  -4.248   0.345  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.474  -6.722  -2.685  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.919  -7.085  -1.897  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.445  -7.361  -1.023  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.571  -1.393   0.818  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.332  -1.145  -0.772  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.565  -1.008  -0.600  1.00  0.00           H  
CONECT    1   21   43   44   45                                       
CONECT    2   22   22                                                 
CONECT    3   22   22                                                 
CONECT    4   23    5    5   46                                       
CONECT    5    4    4    6   14                                       
CONECT    6    7    7    5   47                                       
CONECT    7   13    8    6    6                                       
CONECT    8   24    7   48   49                                       
CONECT    9   24   11   10   50                                       
CONECT   10    9   51   52   53                                       
CONECT   11   25   26    9   54                                       
CONECT   12   27   27   13   24                                       
CONECT   13   23   23   12    7                                       
CONECT   14    5   28   41   41                                       
CONECT   15   28   16   40   40                                       
CONECT   16   29   15   55                                            
CONECT   17   30   30   29   56                                       
CONECT   18   19   31   31   32                                       
CONECT   19   33   33   34   18                                       
CONECT   20   35   34   57   58                                       
CONECT   21   22    1   59                                            
CONECT   22    2    2    3    3                                       
CONECT   22   21   23                                                 
CONECT   23   22   13   13    4                                       
CONECT   24   12    9    8                                            
CONECT   25   26   11   60   61                                       
CONECT   26   25   11   62   63                                       
CONECT   27   12   12                                                 
CONECT   28   14   15                                                 
CONECT   29   32   32   17   16                                       
CONECT   30   31   17   17   64                                       
CONECT   31   18   18   30   65                                       
CONECT   32   18   29   29                                            
CONECT   33   19   19                                                 
CONECT   34   20   19   66                                            
CONECT   35   36   20   67   68                                       
CONECT   36   37   35   69   70                                       
CONECT   37   38   36   39                                            
CONECT   38   37   71   72   73                                       
CONECT   39   37   74   75   76                                       
CONECT   40   15   15   41                                            
CONECT   41   14   14   40   42                                       
CONECT   42   41   77   78   79                                       
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    4                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   39                                                      
CONECT   77   42                                                      
CONECT   78   42                                                      
CONECT   79   42                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
