COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.925   0.937   1.350  1.00  0.00           C  
HETATM    2  N   UNL     1       0.456  -2.215  -0.115  1.00  0.00           N  
HETATM    3  C   UNL     1       8.856   1.488   0.268  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.429  -0.029   0.450  1.00  0.00           N  
HETATM    5  C   UNL     1       6.609   0.547   0.729  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.727   2.289  -0.473  1.00  0.00           N  
HETATM    7  C   UNL     1       5.445   1.151   1.149  1.00  0.00           C  
HETATM    8  C   UNL     1       4.228   0.791   0.574  1.00  0.00           C  
HETATM    9  C   UNL     1       4.182  -0.183  -0.429  1.00  0.00           C  
HETATM   10  C   UNL     1       1.984   0.283  -0.324  1.00  0.00           C  
HETATM   11  C   UNL     1       0.529   0.159  -0.696  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.132  -0.907   0.180  1.00  0.00           C  
HETATM   13  C   UNL     1       0.378  -2.724  -1.361  1.00  0.00           C  
HETATM   14  C   UNL     1       0.984  -4.070  -1.665  1.00  0.00           C  
HETATM   15  C   UNL     1       0.758  -4.409  -3.140  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.611  -0.945  -0.106  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.867  -0.066   0.173  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.459   1.332   0.361  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.076   3.591  -0.469  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.324   4.575  -1.327  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.916   5.973  -1.138  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.850   4.586  -0.917  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.066  -1.800  -0.836  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.547  -1.042   1.135  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.955  -2.440   0.946  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.635  -3.416   1.908  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.137  -3.455   1.618  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.729  -2.057   1.807  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.049  -1.081   0.845  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.996   3.970   0.225  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.179  -2.097  -2.238  1.00  0.00           O  
HETATM   32  S   UNL     1       2.583   1.349   0.866  1.00  0.00           S  
HETATM   33  N   UNL     1       2.925  -0.398  -0.861  1.00  0.00           N  
HETATM   34  C   UNL     1       5.390  -0.784  -0.839  1.00  0.00           C  
HETATM   35  C   UNL     1       6.571  -0.416  -0.269  1.00  0.00           C  
HETATM   36  C   UNL     1       8.568  -0.292   1.997  1.00  0.00           C  
HETATM   37  H   UNL     1       7.758   1.701   2.109  1.00  0.00           H  
HETATM   38  H   UNL     1       0.902  -2.716   0.586  1.00  0.00           H  
HETATM   39  H   UNL     1       8.399   2.364  -0.193  1.00  0.00           H  
HETATM   40  H   UNL     1       9.809   1.770   0.717  1.00  0.00           H  
HETATM   41  H   UNL     1       9.024   0.724  -0.491  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.065   0.655   1.034  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.992   1.985  -1.028  1.00  0.00           H  
HETATM   44  H   UNL     1       5.476   1.904   1.923  1.00  0.00           H  
HETATM   45  H   UNL     1       0.032   1.117  -0.541  1.00  0.00           H  
HETATM   46  H   UNL     1       0.445  -0.128  -1.744  1.00  0.00           H  
HETATM   47  H   UNL     1       0.029  -0.665   1.231  1.00  0.00           H  
HETATM   48  H   UNL     1       2.053  -4.042  -1.459  1.00  0.00           H  
HETATM   49  H   UNL     1       0.512  -4.829  -1.041  1.00  0.00           H  
HETATM   50  H   UNL     1       1.195  -5.383  -3.359  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.312  -4.437  -3.346  1.00  0.00           H  
HETATM   52  H   UNL     1       1.229  -3.650  -3.764  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.030  -0.394  -0.854  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.375   1.624   1.408  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.509   1.324   0.069  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.832   6.265  -0.091  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.372   6.685  -1.759  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.765   4.878   0.130  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.428   3.590  -1.052  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.305   5.298  -1.538  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.384  -0.714   2.161  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.118  -2.769  -0.080  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.885  -2.413   1.153  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.213  -4.412   1.773  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.472  -3.088   2.934  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.300  -3.783   0.591  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.621  -4.150   2.303  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.799  -2.085   1.600  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.565  -1.729   2.833  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.471  -0.085   0.979  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.212  -1.409  -0.182  1.00  0.00           H  
HETATM   72  H   UNL     1       5.378  -1.538  -1.611  1.00  0.00           H  
HETATM   73  H   UNL     1       7.489  -0.882  -0.596  1.00  0.00           H  
HETATM   74  H   UNL     1       8.736  -1.056   1.238  1.00  0.00           H  
HETATM   75  H   UNL     1       9.520  -0.011   2.446  1.00  0.00           H  
HETATM   76  H   UNL     1       7.905  -0.685   2.767  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.408   4.283  -2.374  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.966   5.965  -1.430  1.00  0.00           H  
CONECT    1   36    3    5   37                                       
CONECT    2   13   12   38                                            
CONECT    3    1   39   40   41                                       
CONECT    4   16   17   42                                            
CONECT    5    1   35   35    7                                       
CONECT    6   19   18   43                                            
CONECT    7    5    8    8   44                                       
CONECT    8    7    7    9   32                                       
CONECT    9   34   34    8   33                                       
CONECT   10   32   33   33   11                                       
CONECT   11   10   12   45   46                                       
CONECT   12   11    2   16   47                                       
CONECT   13   14   31   31    2                                       
CONECT   14   13   15   48   49                                       
CONECT   15   14   50   51   52                                       
CONECT   16   12   23   23    4                                       
CONECT   17    4   24   18   53                                       
CONECT   18   17    6   54   55                                       
CONECT   19   20    6   30   30                                       
CONECT   20   22   19   21   77                                       
CONECT   21   20   56   57   78                                       
CONECT   22   20   58   59   60                                       
CONECT   23   16   16                                                 
CONECT   24   29   17   25   61                                       
CONECT   25   24   26   62   63                                       
CONECT   26   27   25   64   65                                       
CONECT   27   28   26   66   67                                       
CONECT   28   29   27   68   69                                       
CONECT   29   28   24   70   71                                       
CONECT   30   19   19                                                 
CONECT   31   13   13                                                 
CONECT   32    8   10                                                 
CONECT   33    9   10   10                                            
CONECT   34   35    9    9   72                                       
CONECT   35    5    5   34   73                                       
CONECT   36    1   74   75   76                                       
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   20                                                      
CONECT   78   21                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
