COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.164  -0.845   1.264  1.00  0.00           C  
HETATM    2  C   UNL     1       8.126  -0.718   0.517  1.00  0.00           C  
HETATM    3  C   UNL     1       6.832  -1.289   1.102  1.00  0.00           C  
HETATM    4  C   UNL     1       1.911  -1.660   0.455  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.866  -0.993  -1.213  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.278  -3.455  -1.115  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.937  -2.084  -1.276  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.575  -3.308   1.361  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.234  -1.936   1.200  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.951  -1.870  -0.150  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.116   1.121  -0.692  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.122  -0.001  -0.701  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.491  -2.430   0.299  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.802   2.426  -1.100  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.805   2.834  -0.019  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.057   3.607   2.343  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.561  -3.521   0.235  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.150  -1.059   0.138  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.125  -0.014   0.199  1.00  0.00           N  
HETATM   20  O   UNL     1      -1.030  -0.891  -1.520  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.054   3.199   1.263  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.861   4.816   1.862  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.613   4.451   0.580  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.610   4.043  -0.500  1.00  0.00           C  
HETATM   25  N   UNL     1       0.961   0.819  -1.638  1.00  0.00           N  
HETATM   26  S   UNL     1       2.511   1.301  -1.310  1.00  0.00           S  
HETATM   27  O   UNL     1       3.310   0.852  -2.396  1.00  0.00           O  
HETATM   28  O   UNL     1       2.432   2.664  -0.915  1.00  0.00           O  
HETATM   29  N   UNL     1       3.016   0.457   0.022  1.00  0.00           N  
HETATM   30  C   UNL     1       3.169  -0.998  -0.048  1.00  0.00           C  
HETATM   31  O   UNL     1       0.983  -0.985   0.833  1.00  0.00           O  
HETATM   32  O   UNL     1       1.823  -2.999   0.483  1.00  0.00           O  
HETATM   33  C   UNL     1       4.353  -1.429   0.819  1.00  0.00           C  
HETATM   34  C   UNL     1       5.647  -0.859   0.235  1.00  0.00           C  
HETATM   35  N   UNL     1       9.263  -1.132   1.350  1.00  0.00           N  
HETATM   36  H   UNL     1      -4.633   0.132   1.149  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.654  -0.892   2.226  1.00  0.00           H  
HETATM   38  H   UNL     1       8.262  -1.093  -0.497  1.00  0.00           H  
HETATM   39  H   UNL     1       8.066   0.370   0.498  1.00  0.00           H  
HETATM   40  H   UNL     1       6.891  -2.378   1.121  1.00  0.00           H  
HETATM   41  H   UNL     1       6.695  -0.915   2.116  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.144  -1.145  -2.015  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.336  -0.016  -1.327  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.040  -4.233  -1.161  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.556  -3.607  -1.917  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.447  -2.037  -2.238  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.065  -3.355   2.323  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.338  -4.085   1.316  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.957  -1.784   2.002  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.420  -0.893  -0.265  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.713  -2.647  -0.196  1.00  0.00           H  
HETATM   52  H   UNL     1       0.300   1.227   0.310  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.981  -2.477   1.261  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.769  -2.582  -0.503  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.053   3.210  -1.215  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.325   2.281  -2.045  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.482   2.003   0.181  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.733   2.777   2.543  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.521   3.868   3.257  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.092  -4.498   0.350  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.168   0.668   0.887  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.480   2.338   1.606  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.377   4.030   1.063  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.576   5.107   2.632  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.184   5.647   1.662  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.290   3.621   0.780  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.186   5.312   0.237  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.933   4.874  -0.700  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.145   3.783  -1.413  1.00  0.00           H  
HETATM   70  H   UNL     1       0.767   0.336  -2.456  1.00  0.00           H  
HETATM   71  H   UNL     1       3.211   0.926   0.848  1.00  0.00           H  
HETATM   72  H   UNL     1       3.347  -1.296  -1.081  1.00  0.00           H  
HETATM   73  H   UNL     1       0.997  -3.378   0.813  1.00  0.00           H  
HETATM   74  H   UNL     1       4.217  -1.055   1.833  1.00  0.00           H  
HETATM   75  H   UNL     1       4.413  -2.518   0.838  1.00  0.00           H  
HETATM   76  H   UNL     1       5.588   0.230   0.215  1.00  0.00           H  
HETATM   77  H   UNL     1       5.784  -1.233  -0.780  1.00  0.00           H  
HETATM   78  H   UNL     1       9.302  -2.137   1.436  1.00  0.00           H  
HETATM   79  H   UNL     1      10.130  -0.767   0.984  1.00  0.00           H  
CONECT    1    9   18   36   37                                       
CONECT    2   35    3   38   39                                       
CONECT    3   34    2   40   41                                       
CONECT    4   31   31   32   30                                       
CONECT    5    7   18   42   43                                       
CONECT    6    7   17   44   45                                       
CONECT    7   10    6    5   46                                       
CONECT    8    9   17   47   48                                       
CONECT    9   10    8    1   49                                       
CONECT   10    7    9   50   51                                       
CONECT   11   12   25   14   52                                       
CONECT   12   20   20   19   11                                       
CONECT   13   17   18   53   54                                       
CONECT   14   11   15   55   56                                       
CONECT   15   14   24   21   57                                       
CONECT   16   21   22   58   59                                       
CONECT   17    6    8   13   60                                       
CONECT   18    5    1   13   19                                       
CONECT   19   18   12   61                                            
CONECT   20   12   12                                                 
CONECT   21   15   16   62   63                                       
CONECT   22   23   16   64   65                                       
CONECT   23   24   22   66   67                                       
CONECT   24   15   23   68   69                                       
CONECT   25   11   26   70                                            
CONECT   26   27   27   25   28                                       
CONECT   26   28   29                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29   26   30   71                                            
CONECT   30    4   29   33   72                                       
CONECT   31    4    4                                                 
CONECT   32    4   73                                                 
CONECT   33   30   34   74   75                                       
CONECT   34   33    3   76   77                                       
CONECT   35    2   78   79                                            
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   19                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
