COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.881   1.112   1.019  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.382   0.460  -1.385  1.00  0.00           C  
HETATM    3  C   UNL     1       1.258   1.746   2.360  1.00  0.00           C  
HETATM    4  C   UNL     1       4.017  -0.605  -0.341  1.00  0.00           C  
HETATM    5  C   UNL     1       4.877   2.411  -3.540  1.00  0.00           C  
HETATM    6  C   UNL     1       5.000   0.890  -3.779  1.00  0.00           C  
HETATM    7  C   UNL     1       3.126   1.441  -2.361  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.194  -0.510  -1.330  1.00  0.00           C  
HETATM    9  C   UNL     1       4.867  -1.084   0.837  1.00  0.00           C  
HETATM   10  C   UNL     1       2.571   2.517   2.208  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.967  -1.541   0.829  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.616  -1.232   2.267  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.182   0.189   2.499  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.203   0.758   1.063  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.914   1.533   0.783  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.549   1.226   0.877  1.00  0.00           C  
HETATM   17  C   UNL     1       2.358   3.708   1.271  1.00  0.00           C  
HETATM   18  C   UNL     1       3.028   3.021   3.578  1.00  0.00           C  
HETATM   19  C   UNL     1       1.897   0.060   0.658  1.00  0.00           C  
HETATM   20  C   UNL     1       4.927  -0.015  -1.421  1.00  0.00           C  
HETATM   21  C   UNL     1       4.097   0.320  -2.661  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.699  -0.353  -1.227  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.010   0.605  -1.291  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.937  -0.799  -1.513  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.121  -1.914  -1.552  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.749  -1.769  -1.463  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.444   0.496   1.127  1.00  0.00           N  
HETATM   28  N   UNL     1       3.078   0.421   0.119  1.00  0.00           N  
HETATM   29  N   UNL     1       3.585   2.598  -2.868  1.00  0.00           N  
HETATM   30  N   UNL     1      -5.297  -0.411   0.180  1.00  0.00           N  
HETATM   31  O   UNL     1      -4.949  -2.647   0.332  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.769   0.689   1.073  1.00  0.00           O  
HETATM   33  O   UNL     1       2.086   1.315  -1.751  1.00  0.00           O  
HETATM   34  O   UNL     1       4.012  -1.515   1.897  1.00  0.00           O  
HETATM   35  O   UNL     1       1.651  -1.112   0.851  1.00  0.00           O  
HETATM   36  O   UNL     1      -1.445   2.368   0.474  1.00  0.00           O  
HETATM   37  H   UNL     1       0.862   1.881   0.247  1.00  0.00           H  
HETATM   38  H   UNL     1     -10.020   1.331  -1.355  1.00  0.00           H  
HETATM   39  H   UNL     1       0.470   2.431   2.673  1.00  0.00           H  
HETATM   40  H   UNL     1       1.380   0.965   3.110  1.00  0.00           H  
HETATM   41  H   UNL     1       3.462  -1.447  -0.754  1.00  0.00           H  
HETATM   42  H   UNL     1       5.688   2.759  -2.900  1.00  0.00           H  
HETATM   43  H   UNL     1       4.891   2.945  -4.490  1.00  0.00           H  
HETATM   44  H   UNL     1       4.620   0.618  -4.764  1.00  0.00           H  
HETATM   45  H   UNL     1       6.031   0.558  -3.656  1.00  0.00           H  
HETATM   46  H   UNL     1       5.496  -0.265   1.188  1.00  0.00           H  
HETATM   47  S   UNL     1       5.916  -2.465   0.305  1.00  0.00           S  
HETATM   48  H   UNL     1       3.333   1.858   1.790  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.092  -1.946   2.939  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.535  -1.238   2.406  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.189   0.144   2.916  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.522   0.772   3.141  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.069   1.405   0.926  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.890   1.831  -0.266  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.880   2.421   1.413  1.00  0.00           H  
HETATM   56  H   UNL     1       3.308   4.217   1.110  1.00  0.00           H  
HETATM   57  H   UNL     1       1.969   3.354   0.316  1.00  0.00           H  
HETATM   58  H   UNL     1       1.646   4.400   1.720  1.00  0.00           H  
HETATM   59  H   UNL     1       3.180   2.173   4.245  1.00  0.00           H  
HETATM   60  H   UNL     1       3.964   3.570   3.470  1.00  0.00           H  
HETATM   61  H   UNL     1       2.267   3.680   3.995  1.00  0.00           H  
HETATM   62  H   UNL     1       5.399   0.892  -1.043  1.00  0.00           H  
HETATM   63  H   UNL     1       5.696  -0.742  -1.684  1.00  0.00           H  
HETATM   64  H   UNL     1       3.563  -0.563  -3.012  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.210  -1.157  -1.778  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.405   0.608  -1.650  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.577   1.588  -1.187  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.009  -0.912  -1.583  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.555  -2.898  -1.651  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.111  -2.640  -1.494  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.526  -0.438   1.378  1.00  0.00           H  
HETATM   72  H   UNL     1       3.307   1.360   0.036  1.00  0.00           H  
HETATM   73  H   UNL     1       3.122   3.448  -2.800  1.00  0.00           H  
HETATM   74  H   UNL     1       3.422  -0.826   2.232  1.00  0.00           H  
HETATM   75  O   UNL     1       6.921  -1.834  -0.648  1.00  0.00           O  
HETATM   76  O   UNL     1       6.707  -2.936   1.387  1.00  0.00           O  
HETATM   77  O   UNL     1       5.178  -3.366  -0.510  1.00  0.00           O  
HETATM   78  H   UNL     1       7.557  -2.460  -1.020  1.00  0.00           H  
CONECT    1   27   19    3   37                                       
CONECT    2   23   23   24   38                                       
CONECT    3    1   10   39   40                                       
CONECT    4   20   28    9   41                                       
CONECT    5   29    6   42   43                                       
CONECT    6   21    5   44   45                                       
CONECT    7   33   33   29   21                                       
CONECT    8   22   26   26   23                                       
CONECT    9    4   34   46   47                                       
CONECT   10   17    3   18   48                                       
CONECT   11   31   31   12   30                                       
CONECT   12   11   13   49   50                                       
CONECT   13   12   14   51   52                                       
CONECT   14   30   13   15   53                                       
CONECT   15   14   32   54   55                                       
CONECT   16   36   36   32   27                                       
CONECT   17   10   56   57   58                                       
CONECT   18   10   59   60   61                                       
CONECT   19    1   28   35   35                                       
CONECT   20   21    4   62   63                                       
CONECT   21    7   20    6   64                                       
CONECT   22   30    8   65   66                                       
CONECT   23    8    2    2   67                                       
CONECT   24   25   25    2   68                                       
CONECT   25   26   24   24   69                                       
CONECT   26    8    8   25   70                                       
CONECT   27   16    1   71                                            
CONECT   28    4   19   72                                            
CONECT   29    7    5   73                                            
CONECT   30   11   22   14                                            
CONECT   31   11   11                                                 
CONECT   32   15   16                                                 
CONECT   33    7    7                                                 
CONECT   34    9   74                                                 
CONECT   35   19   19                                                 
CONECT   36   16   16                                                 
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    9                                                      
CONECT   47    9   75   76   76                                       
CONECT   47   77   77                                                 
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   34                                                      
CONECT   75   47   78                                                 
CONECT   76   47   47                                                 
CONECT   77   47   47                                                 
CONECT   78   75                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
