COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.171  -2.291   2.428  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.197  -1.514   3.027  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.174  -0.979   2.272  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.120  -1.223   0.899  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.106  -2.003   0.295  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.126  -2.539   1.063  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.055  -2.271  -1.187  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.024  -0.652   0.087  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.011   0.004   0.687  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.926   0.570  -0.118  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.332   1.957  -0.619  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.683   0.685   0.726  1.00  0.00           C  
HETATM   13  C   UNL     1       0.675   0.694   0.070  1.00  0.00           C  
HETATM   14  N   UNL     1       1.638   1.373   0.948  1.00  0.00           N  
HETATM   15  C   UNL     1       2.956   1.212   0.330  1.00  0.00           C  
HETATM   16  C   UNL     1       3.920   2.387   0.609  1.00  0.00           C  
HETATM   17  S   UNL     1       2.827   3.572   1.497  1.00  0.00           S  
HETATM   18  C   UNL     1       1.215   2.802   1.023  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.493   1.826  -1.571  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.789   1.874  -1.092  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.854   1.754  -1.965  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.623   1.587  -3.318  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.328   1.541  -3.798  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.263   1.665  -2.925  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.774   0.770   1.927  1.00  0.00           O  
HETATM   26  O   UNL     1       0.597   1.386  -1.177  1.00  0.00           O  
HETATM   27  C   UNL     1       5.083   1.942   1.497  1.00  0.00           C  
HETATM   28  C   UNL     1       4.433   2.991  -0.700  1.00  0.00           C  
HETATM   29  C   UNL     1       3.580  -0.057   0.850  1.00  0.00           C  
HETATM   30  N   UNL     1       4.563  -0.659   0.153  1.00  0.00           N  
HETATM   31  C   UNL     1       5.170  -1.893   0.659  1.00  0.00           C  
HETATM   32  O   UNL     1       3.198  -0.536   1.897  1.00  0.00           O  
HETATM   33  O   UNL     1      -8.086  -3.304   0.479  1.00  0.00           O  
HETATM   34  O   UNL     1      -4.037  -0.774  -1.123  1.00  0.00           O  
HETATM   35  C   UNL     1       6.235  -2.359  -0.300  1.00  0.00           C  
HETATM   36  C   UNL     1       5.960  -3.371  -1.201  1.00  0.00           C  
HETATM   37  C   UNL     1       6.936  -3.798  -2.081  1.00  0.00           C  
HETATM   38  C   UNL     1       8.188  -3.211  -2.062  1.00  0.00           C  
HETATM   39  C   UNL     1       8.462  -2.197  -1.164  1.00  0.00           C  
HETATM   40  C   UNL     1       7.485  -1.769  -0.285  1.00  0.00           C  
HETATM   41  C   UNL     1       7.784  -0.663   0.694  1.00  0.00           C  
HETATM   42  H   UNL     1      -7.970  -2.707   3.024  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.238  -1.325   4.090  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.415  -0.373   2.744  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.508  -1.437  -1.723  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.017  -2.383  -1.501  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.602  -3.187  -1.410  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.001   0.101   1.652  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.728  -0.081  -0.970  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.625   2.578   0.227  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.490   2.418  -1.135  1.00  0.00           H  
HETATM   52  H   UNL     1       1.001  -0.332  -0.103  1.00  0.00           H  
HETATM   53  H   UNL     1       2.825   1.118  -0.748  1.00  0.00           H  
HETATM   54  H   UNL     1       0.870   3.167   0.056  1.00  0.00           H  
HETATM   55  H   UNL     1       0.460   2.954   1.795  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.969   2.004  -0.035  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.866   1.791  -1.591  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.455   1.493  -4.000  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.147   1.410  -4.854  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.250   1.628  -3.299  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.074   0.933  -1.707  1.00  0.00           H  
HETATM   62  H   UNL     1       4.692   1.478   2.403  1.00  0.00           H  
HETATM   63  H   UNL     1       5.699   1.223   0.957  1.00  0.00           H  
HETATM   64  H   UNL     1       5.688   2.809   1.765  1.00  0.00           H  
HETATM   65  H   UNL     1       5.023   3.881  -0.483  1.00  0.00           H  
HETATM   66  H   UNL     1       5.055   2.261  -1.218  1.00  0.00           H  
HETATM   67  H   UNL     1       3.587   3.260  -1.332  1.00  0.00           H  
HETATM   68  H   UNL     1       4.869  -0.276  -0.684  1.00  0.00           H  
HETATM   69  H   UNL     1       4.404  -2.663   0.753  1.00  0.00           H  
HETATM   70  H   UNL     1       5.617  -1.704   1.635  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.793  -2.704   0.205  1.00  0.00           H  
HETATM   72  H   UNL     1       4.982  -3.829  -1.216  1.00  0.00           H  
HETATM   73  H   UNL     1       6.722  -4.590  -2.783  1.00  0.00           H  
HETATM   74  H   UNL     1       8.951  -3.545  -2.749  1.00  0.00           H  
HETATM   75  H   UNL     1       9.440  -1.738  -1.150  1.00  0.00           H  
HETATM   76  H   UNL     1       7.541   0.299   0.241  1.00  0.00           H  
HETATM   77  H   UNL     1       7.185  -0.802   1.594  1.00  0.00           H  
HETATM   78  H   UNL     1       8.842  -0.684   0.954  1.00  0.00           H  
CONECT    1    2    2    6   42                                       
CONECT    2    1    1    3   43                                       
CONECT    3    2    4    4   44                                       
CONECT    4    3    3    5    8                                       
CONECT    5    4    6    6    7                                       
CONECT    6    1    5    5   33                                       
CONECT    7    5   45   46   47                                       
CONECT    8    4    9   34   34                                       
CONECT    9    8   10   48                                            
CONECT   10    9   11   12   49                                       
CONECT   11   10   19   50   51                                       
CONECT   12   10   13   25   25                                       
CONECT   13   12   14   26   52                                       
CONECT   14   13   15   18                                            
CONECT   15   14   16   29   53                                       
CONECT   16   15   17   27   28                                       
CONECT   17   16   18                                                 
CONECT   18   14   17   54   55                                       
CONECT   19   11   20   20   24                                       
CONECT   20   19   19   21   56                                       
CONECT   21   20   22   22   57                                       
CONECT   22   21   21   23   58                                       
CONECT   23   22   24   24   59                                       
CONECT   24   19   23   23   60                                       
CONECT   25   12   12                                                 
CONECT   26   13   61                                                 
CONECT   27   16   62   63   64                                       
CONECT   28   16   65   66   67                                       
CONECT   29   15   30   32   32                                       
CONECT   30   29   31   68                                            
CONECT   31   30   35   69   70                                       
CONECT   32   29   29                                                 
CONECT   33    6   71                                                 
CONECT   34    8    8                                                 
CONECT   35   31   36   36   40                                       
CONECT   36   35   35   37   72                                       
CONECT   37   36   38   38   73                                       
CONECT   38   37   37   39   74                                       
CONECT   39   38   40   40   75                                       
CONECT   40   35   39   39   41                                       
CONECT   41   40   76   77   78                                       
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   33                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
