COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.415   4.342  -0.603  1.00  0.00           C  
HETATM    2  C   UNL     1       0.920   3.421   0.316  1.00  0.00           C  
HETATM    3  C   UNL     1       1.760   2.451   0.840  1.00  0.00           C  
HETATM    4  C   UNL     1       3.085   2.399   0.449  1.00  0.00           C  
HETATM    5  C   UNL     1       3.576   3.314  -0.463  1.00  0.00           C  
HETATM    6  C   UNL     1       2.744   4.284  -0.990  1.00  0.00           C  
HETATM    7  S   UNL     1       4.150   1.164   1.116  1.00  0.00           S  
HETATM    8  O   UNL     1       5.473   1.668   0.996  1.00  0.00           O  
HETATM    9  O   UNL     1       3.579   0.768   2.355  1.00  0.00           O  
HETATM   10  N   UNL     1       4.060  -0.153   0.117  1.00  0.00           N  
HETATM   11  C   UNL     1       4.981  -0.279  -1.015  1.00  0.00           C  
HETATM   12  C   UNL     1       6.183  -1.132  -0.603  1.00  0.00           C  
HETATM   13  C   UNL     1       7.082  -1.367  -1.818  1.00  0.00           C  
HETATM   14  C   UNL     1       6.975  -0.404   0.486  1.00  0.00           C  
HETATM   15  C   UNL     1       3.058  -1.193   0.365  1.00  0.00           C  
HETATM   16  C   UNL     1       1.817  -0.919  -0.487  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.812   4.512  -0.575  1.00  0.00           C  
HETATM   18  O   UNL     1       2.153  -1.040  -1.871  1.00  0.00           O  
HETATM   19  C   UNL     1       0.725  -1.932  -0.137  1.00  0.00           C  
HETATM   20  O   UNL     1       0.402   5.181  -0.968  1.00  0.00           O  
HETATM   21  N   UNL     1      -0.502  -1.597  -0.864  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.699  -1.986  -0.381  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.760  -2.612   0.656  1.00  0.00           O  
HETATM   24  N   UNL     1      -4.454   0.070  -0.450  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.176  -0.116  -1.153  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.920  -1.129  -0.073  1.00  0.00           C  
HETATM   27  O   UNL     1      -5.964  -1.275   0.530  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.129  -2.150  -0.421  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.961  -1.641  -1.129  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.402   3.685   0.531  1.00  0.00           O  
HETATM   31  C   UNL     1       1.185  -3.336  -0.533  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.877  -4.703  -0.915  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.814  -5.629  -0.497  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.710  -6.200   0.758  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.669  -5.844   1.595  1.00  0.00           C  
HETATM   36  C   UNL     1       0.268  -4.917   1.178  1.00  0.00           C  
HETATM   37  C   UNL     1       0.164  -4.346  -0.077  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.318   3.732   0.269  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.424   3.224   1.193  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.802   2.008   0.959  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.080   1.300  -0.208  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.978   1.817  -1.131  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.594   3.031  -0.890  1.00  0.00           C  
HETATM   44  O   UNL     1      -3.923   1.506   1.867  1.00  0.00           O  
HETATM   45  H   UNL     1       1.379   1.735   1.553  1.00  0.00           H  
HETATM   46  H   UNL     1       4.612   3.271  -0.766  1.00  0.00           H  
HETATM   47  H   UNL     1       3.130   4.997  -1.703  1.00  0.00           H  
HETATM   48  H   UNL     1       4.468  -0.755  -1.851  1.00  0.00           H  
HETATM   49  H   UNL     1       5.325   0.711  -1.316  1.00  0.00           H  
HETATM   50  H   UNL     1       5.833  -2.090  -0.218  1.00  0.00           H  
HETATM   51  H   UNL     1       7.432  -0.409  -2.202  1.00  0.00           H  
HETATM   52  H   UNL     1       7.938  -1.975  -1.524  1.00  0.00           H  
HETATM   53  H   UNL     1       6.518  -1.885  -2.593  1.00  0.00           H  
HETATM   54  H   UNL     1       7.325   0.554   0.101  1.00  0.00           H  
HETATM   55  H   UNL     1       6.334  -0.237   1.351  1.00  0.00           H  
HETATM   56  H   UNL     1       7.831  -1.012   0.779  1.00  0.00           H  
HETATM   57  H   UNL     1       3.472  -2.167   0.101  1.00  0.00           H  
HETATM   58  H   UNL     1       2.783  -1.189   1.419  1.00  0.00           H  
HETATM   59  H   UNL     1       1.455   0.089  -0.288  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.561   5.235  -0.254  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.194   3.901  -1.393  1.00  0.00           H  
HETATM   62  H   UNL     1       2.483  -1.914  -2.121  1.00  0.00           H  
HETATM   63  H   UNL     1       0.531  -1.901   0.935  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.454  -1.096  -1.693  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.248   0.244  -2.180  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.370   0.393  -0.624  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.924  -2.038  -2.143  1.00  0.00           H  
HETATM   68  H   UNL     1       1.293  -3.391  -1.616  1.00  0.00           H  
HETATM   69  H   UNL     1       2.144  -3.550  -0.061  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.955  -4.261  -1.897  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.627  -5.907  -1.151  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.443  -6.923   1.085  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.589  -6.288   2.576  1.00  0.00           H  
HETATM   74  H   UNL     1       1.081  -4.638   1.832  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.804   4.678   0.455  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.210   3.774   2.097  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.195   1.271  -2.037  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.293   3.432  -1.609  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.330   0.944   2.540  1.00  0.00           H  
CONECT    1    2    2    6   20                                       
CONECT    2    1    1    3   30                                       
CONECT    3    2    4    4   45                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   46                                       
CONECT    6    1    5    5   47                                       
CONECT    7    4    8    8    9                                       
CONECT    7    9   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   11   15                                            
CONECT   11   10   12   48   49                                       
CONECT   12   11   13   14   50                                       
CONECT   13   12   51   52   53                                       
CONECT   14   12   54   55   56                                       
CONECT   15   10   16   57   58                                       
CONECT   16   15   18   19   59                                       
CONECT   17   20   30   60   61                                       
CONECT   18   16   62                                                 
CONECT   19   16   21   31   63                                       
CONECT   20    1   17                                                 
CONECT   21   19   22   64                                            
CONECT   22   21   23   23   29                                       
CONECT   23   22   22                                                 
CONECT   24   25   26   41                                            
CONECT   25   24   29   65   66                                       
CONECT   26   24   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29                                                 
CONECT   29   22   25   28   67                                       
CONECT   30    2   17                                                 
CONECT   31   19   37   68   69                                       
CONECT   32   33   33   37   70                                       
CONECT   33   32   32   34   71                                       
CONECT   34   33   35   35   72                                       
CONECT   35   34   34   36   73                                       
CONECT   36   35   37   37   74                                       
CONECT   37   31   32   36   36                                       
CONECT   38   39   39   43   75                                       
CONECT   39   38   38   40   76                                       
CONECT   40   39   41   41   44                                       
CONECT   41   24   40   40   42                                       
CONECT   42   41   43   43   77                                       
CONECT   43   38   42   42   78                                       
CONECT   44   40   79                                                 
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   21                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   29                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
CONECT   79   44                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
