COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.568   3.906   0.940  1.00  0.00           C  
HETATM    2  C   UNL     1       2.459  -1.124  -0.364  1.00  0.00           C  
HETATM    3  C   UNL     1       1.223  -1.877   0.054  1.00  0.00           C  
HETATM    4  C   UNL     1       3.625  -1.837  -0.594  1.00  0.00           C  
HETATM    5  C   UNL     1       4.774  -1.182  -0.993  1.00  0.00           C  
HETATM    6  C   UNL     1       4.764   0.184  -1.165  1.00  0.00           C  
HETATM    7  C   UNL     1       3.603   0.915  -0.921  1.00  0.00           C  
HETATM    8  C   UNL     1       2.450   0.248  -0.529  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.257   3.322  -1.359  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.104   4.225  -0.320  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.686   5.832   2.033  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.985  -2.462   0.939  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.208  -1.701  -0.210  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.236  -0.799  -0.643  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.055  -0.665   0.071  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.843  -1.427   1.214  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.809  -2.317   1.645  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.078   0.237  -0.358  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.827   0.379   0.398  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.823  -0.640  -0.098  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.828   2.087  -1.126  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.136   2.664   1.175  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.978  -1.171  -1.183  1.00  0.00           O  
HETATM   24  N   UNL     1       0.255  -0.953   0.688  1.00  0.00           N  
HETATM   25  N   UNL     1       3.654   2.300  -1.118  1.00  0.00           N  
HETATM   26  C   UNL     1       0.606   5.523  -0.592  1.00  0.00           C  
HETATM   27  C   UNL     1       2.800   3.140  -0.486  1.00  0.00           C  
HETATM   28  O   UNL     1       2.773   4.421  -0.903  1.00  0.00           O  
HETATM   29  O   UNL     1       2.102   2.766   0.435  1.00  0.00           O  
HETATM   30  C   UNL     1       2.061   5.414  -0.137  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.479   4.891   2.077  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.470  -1.850  -0.966  1.00  0.00           C  
HETATM   33  N   UNL     1      -8.407  -2.723  -0.547  1.00  0.00           N  
HETATM   34  O   UNL     1      -7.661  -1.186  -1.966  1.00  0.00           O  
HETATM   35  C   UNL     1       0.447  -0.448   2.051  1.00  0.00           C  
HETATM   36  S   UNL     1       3.644  -3.585  -0.378  1.00  0.00           S  
HETATM   37  O   UNL     1       4.935  -3.979  -0.823  1.00  0.00           O  
HETATM   38  C   UNL     1       3.489  -3.822   1.414  1.00  0.00           C  
HETATM   39  C   UNL     1       3.623  -5.310   1.745  1.00  0.00           C  
HETATM   40  C   UNL     1       4.591  -3.039   2.129  1.00  0.00           C  
HETATM   41  O   UNL     1       2.472  -4.033  -1.044  1.00  0.00           O  
HETATM   42  C   UNL     1      -1.246   1.749   0.148  1.00  0.00           C  
HETATM   43  H   UNL     1       0.769  -2.346  -0.818  1.00  0.00           H  
HETATM   44  H   UNL     1       1.495  -2.652   0.774  1.00  0.00           H  
HETATM   45  H   UNL     1       5.681  -1.743  -1.169  1.00  0.00           H  
HETATM   46  H   UNL     1       5.660   0.695  -1.487  1.00  0.00           H  
HETATM   47  H   UNL     1       1.538   0.804  -0.365  1.00  0.00           H  
HETATM   48  H   UNL     1       0.070   3.591  -2.353  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.692   6.370   1.085  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.603   5.251   2.127  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.621   6.544   2.855  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.736  -3.161   1.277  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.402  -0.208  -1.531  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.922  -1.321   1.768  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.639  -2.907   2.534  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.225   0.769  -1.156  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.031   0.243   1.455  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.950   1.386  -1.939  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.490   2.416   2.165  1.00  0.00           H  
HETATM   60  H   UNL     1       4.325   2.671  -1.726  1.00  0.00           H  
HETATM   61  H   UNL     1       0.584   5.719  -1.669  1.00  0.00           H  
HETATM   62  H   UNL     1       0.113   6.346  -0.081  1.00  0.00           H  
HETATM   63  H   UNL     1       2.548   6.384  -0.271  1.00  0.00           H  
HETATM   64  H   UNL     1       2.098   5.150   0.920  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.473   4.353   3.025  1.00  0.00           H  
HETATM   66  H   UNL     1       0.438   5.472   1.984  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.254  -3.252   0.252  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.235  -2.821  -1.042  1.00  0.00           H  
HETATM   69  H   UNL     1       1.018   0.480   2.017  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.524  -0.261   2.510  1.00  0.00           H  
HETATM   71  H   UNL     1       0.990  -1.187   2.639  1.00  0.00           H  
HETATM   72  H   UNL     1       2.515  -3.462   1.745  1.00  0.00           H  
HETATM   73  H   UNL     1       4.597  -5.669   1.414  1.00  0.00           H  
HETATM   74  H   UNL     1       3.530  -5.452   2.822  1.00  0.00           H  
HETATM   75  H   UNL     1       2.837  -5.868   1.235  1.00  0.00           H  
HETATM   76  H   UNL     1       4.498  -3.181   3.206  1.00  0.00           H  
HETATM   77  H   UNL     1       5.566  -3.398   1.798  1.00  0.00           H  
HETATM   78  H   UNL     1       4.496  -1.979   1.893  1.00  0.00           H  
CONECT    1   31   22   22   10                                       
CONECT    2    4    4    8    3                                       
CONECT    3    2   24   43   44                                       
CONECT    4    5   36    2    2                                       
CONECT    5    6    6    4   45                                       
CONECT    6    5    5    7   46                                       
CONECT    7    6   25    8    8                                       
CONECT    8    7    7    2   47                                       
CONECT    9   10   10   21   48                                       
CONECT   10    1   26    9    9                                       
CONECT   11   31   49   50   51                                       
CONECT   12   17   17   13   52                                       
CONECT   13   14   14   12   32                                       
CONECT   14   15   13   13   53                                       
CONECT   15   18   16   16   14                                       
CONECT   16   15   15   17   54                                       
CONECT   17   16   12   12   55                                       
CONECT   18   19   15   56                                            
CONECT   19   20   18   42   57                                       
CONECT   20   23   23   24   19                                       
CONECT   21   42   42    9   58                                       
CONECT   22    1    1   42   59                                       
CONECT   23   20   20                                                 
CONECT   24    3   20   35                                            
CONECT   25    7   27   60                                            
CONECT   26   30   10   61   62                                       
CONECT   27   25   28   29   29                                       
CONECT   28   27   30                                                 
CONECT   29   27   27                                                 
CONECT   30   28   26   63   64                                       
CONECT   31   11    1   65   66                                       
CONECT   32   13   34   34   33                                       
CONECT   33   32   67   68                                            
CONECT   34   32   32                                                 
CONECT   35   24   69   70   71                                       
CONECT   36   41   41   38    4                                       
CONECT   36   37   37                                                 
CONECT   37   36   36                                                 
CONECT   38   40   36   39   72                                       
CONECT   39   38   73   74   75                                       
CONECT   40   38   76   77   78                                       
CONECT   41   36   36                                                 
CONECT   42   22   19   21   21                                       
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   38                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
CONECT   78   40                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
