COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       9.611  -0.082  -0.045  1.00  0.00           S  
HETATM    2  O   UNL     1      -2.878   1.776  -1.367  1.00  0.00           O  
HETATM    3  O   UNL     1      -8.455   0.941  -2.119  1.00  0.00           O  
HETATM    4  O   UNL     1       4.454  -0.191  -1.335  1.00  0.00           O  
HETATM    5  O   UNL     1       9.854   0.939  -1.003  1.00  0.00           O  
HETATM    6  O   UNL     1       9.750  -1.455  -0.387  1.00  0.00           O  
HETATM    7  O   UNL     1      10.668   0.148   1.025  1.00  0.00           O  
HETATM    8  N   UNL     1       5.608   0.234   0.512  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.834   0.153   0.079  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.711  -0.914  -0.632  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.926  -1.145   0.245  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.721   0.169   0.279  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.957  -0.014   1.161  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.505   0.066  -0.664  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.572   1.474  -0.004  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.873   1.323   0.803  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.839  -1.119   0.575  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.735  -2.091  -0.746  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.807  -2.248  -0.346  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.404  -1.400  -1.153  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.050  -2.430   0.528  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.748   1.296   1.208  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.634  -0.237   1.545  1.00  0.00           C  
HETATM   24  C   UNL     1       0.653   0.390   0.283  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.267  -0.732  -0.842  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.523  -0.402   2.575  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.176   1.684  -0.208  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.056   0.578  -0.796  1.00  0.00           C  
HETATM   29  C   UNL     1       1.982   0.147  -0.435  1.00  0.00           C  
HETATM   30  C   UNL     1       0.566   1.855   0.713  1.00  0.00           C  
HETATM   31  C   UNL     1       3.137   0.350   0.547  1.00  0.00           C  
HETATM   32  C   UNL     1       4.446   0.111  -0.161  1.00  0.00           C  
HETATM   33  C   UNL     1       6.880   0.002  -0.176  1.00  0.00           C  
HETATM   34  C   UNL     1       8.035   0.205   0.806  1.00  0.00           C  
HETATM   35  H   UNL     1      -3.379   2.595  -1.485  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.961   1.763  -2.167  1.00  0.00           H  
HETATM   37  H   UNL     1       5.601   0.477   1.451  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.015  -0.562  -1.618  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.608  -1.427   1.248  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.043   0.414  -0.733  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.502   0.749  -1.513  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.961   2.269   0.424  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.446   2.248   0.733  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.625   1.138   1.848  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.722  -1.248   1.200  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.628  -2.598   0.213  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.061  -2.789  -1.516  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.110  -1.969  -1.355  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.247  -3.182  -0.379  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.286  -1.426  -2.237  1.00  0.00           H  
HETATM   51  H   UNL     1       0.438  -1.898  -0.673  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.747  -2.707   1.538  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.677  -3.216   0.108  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.632   1.164   1.832  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.122   2.083   1.627  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.997   0.501   2.033  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.601  -0.270   2.047  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.162  -1.217   1.599  1.00  0.00           H  
HETATM   59  H   UNL     1       0.593  -0.251   1.163  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.383  -0.601  -1.466  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.894  -1.519  -1.260  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.894   0.385   2.991  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.405  -0.532   3.203  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.961  -1.335   2.540  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.738   2.617  -0.175  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.292   1.814  -0.832  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.940   0.448  -0.173  1.00  0.00           H  
HETATM   68  H   UNL     1       2.006  -0.873  -0.820  1.00  0.00           H  
HETATM   69  H   UNL     1       2.081   0.850  -1.263  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.383   2.029   1.221  1.00  0.00           H  
HETATM   71  H   UNL     1       1.388   2.085   1.390  1.00  0.00           H  
HETATM   72  H   UNL     1       0.629   2.496  -0.166  1.00  0.00           H  
HETATM   73  H   UNL     1       3.112   1.370   0.931  1.00  0.00           H  
HETATM   74  H   UNL     1       3.038  -0.352   1.375  1.00  0.00           H  
HETATM   75  H   UNL     1       6.905  -1.018  -0.560  1.00  0.00           H  
HETATM   76  H   UNL     1       6.979   0.705  -1.004  1.00  0.00           H  
HETATM   77  H   UNL     1       7.936  -0.497   1.634  1.00  0.00           H  
HETATM   78  H   UNL     1       8.011   1.225   1.190  1.00  0.00           H  
HETATM   79  H   UNL     1      11.576   0.028   0.713  1.00  0.00           H  
CONECT    1    6    6    5    5                                       
CONECT    1    7   34                                                 
CONECT    2   15   35                                                 
CONECT    3   28   36                                                 
CONECT    4   32   32                                                 
CONECT    5    1    1                                                 
CONECT    6    1    1                                                 
CONECT    7    1   79                                                 
CONECT    8   33   32   37                                            
CONECT    9   15   23   14   10                                       
CONECT   10    9   11   18   38                                       
CONECT   11   12   10   19   39                                       
CONECT   12   16   13   11   40                                       
CONECT   13   22   26   12   17                                       
CONECT   14   24    9   20   41                                       
CONECT   15   16    2    9   42                                       
CONECT   16   15   12   43   44                                       
CONECT   17   13   25   21   45                                       
CONECT   18   10   20   46   47                                       
CONECT   19   11   21   48   49                                       
CONECT   20   14   18   50   51                                       
CONECT   21   17   19   52   53                                       
CONECT   22   27   13   54   55                                       
CONECT   23    9   56   57   58                                       
CONECT   24   30   29   14   59                                       
CONECT   25   28   17   60   61                                       
CONECT   26   13   62   63   64                                       
CONECT   27   22   28   65   66                                       
CONECT   28   27    3   25   67                                       
CONECT   29   24   31   68   69                                       
CONECT   30   24   70   71   72                                       
CONECT   31   29   32   73   74                                       
CONECT   32    8   31    4    4                                       
CONECT   33    8   34   75   76                                       
CONECT   34   33    1   77   78                                       
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79    7                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
