COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.921   2.684   2.430  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.101   3.038   1.801  1.00  0.00           C  
HETATM    3  C   UNL     1       2.921  -0.627  -0.158  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.126   1.688   1.898  1.00  0.00           C  
HETATM    5  C   UNL     1       1.545  -0.696  -0.273  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.492   2.391   0.644  1.00  0.00           C  
HETATM    7  C   UNL     1       1.630  -3.072   0.088  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.464   1.135   1.145  1.00  0.00           C  
HETATM    9  C   UNL     1       3.656  -1.778   0.079  1.00  0.00           C  
HETATM   10  C   UNL     1       0.897  -1.918  -0.149  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.513   1.041   0.732  1.00  0.00           C  
HETATM   12  C   UNL     1       3.008  -3.004   0.208  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.704   1.390   0.110  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.280  -0.929   0.152  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.344   0.057   0.380  1.00  0.00           C  
HETATM   16  C   UNL     1       7.183  -1.352  -0.966  1.00  0.00           C  
HETATM   17  C   UNL     1       6.969  -0.891   1.477  1.00  0.00           C  
HETATM   18  C   UNL     1       5.659  -1.277  -1.077  1.00  0.00           C  
HETATM   19  C   UNL     1       5.450  -0.829   1.295  1.00  0.00           C  
HETATM   20  C   UNL     1       7.732   1.839   0.964  1.00  0.00           C  
HETATM   21  C   UNL     1       7.851   1.368  -1.407  1.00  0.00           C  
HETATM   22  C   UNL     1       7.271   3.266   0.658  1.00  0.00           C  
HETATM   23  C   UNL     1       7.391   2.795  -1.714  1.00  0.00           C  
HETATM   24  C   UNL     1       7.652  -0.450   0.180  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.839  -2.871  -0.175  1.00  0.00           C  
HETATM   26  C   UNL     1       7.471   5.085  -0.929  1.00  0.00           C  
HETATM   27  C   UNL     1       2.997  -5.358   0.551  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.528  -1.379  -0.045  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.716   0.123   0.741  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.773   1.106   0.968  1.00  0.00           N  
HETATM   31  N   UNL     1      -2.596  -0.962  -0.028  1.00  0.00           N  
HETATM   32  N   UNL     1       5.053  -1.709   0.189  1.00  0.00           N  
HETATM   33  N   UNL     1       7.294   0.943  -0.115  1.00  0.00           N  
HETATM   34  N   UNL     1       7.828   3.691  -0.634  1.00  0.00           N  
HETATM   35  N   UNL     1      -0.497  -1.986  -0.271  1.00  0.00           N  
HETATM   36  N   UNL     1      -4.713   0.027   0.195  1.00  0.00           N  
HETATM   37  N   UNL     1      -7.463  -1.019  -0.985  1.00  0.00           N  
HETATM   38  O   UNL     1      -8.465   1.112  -1.723  1.00  0.00           O  
HETATM   39  O   UNL     1      -6.075   0.593  -2.237  1.00  0.00           O  
HETATM   40  O   UNL     1       3.727  -4.135   0.441  1.00  0.00           O  
HETATM   41  S   UNL     1      -7.200   0.571  -1.369  1.00  0.00           S  
HETATM   42  H   UNL     1      -5.618   3.192   3.334  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.720   3.820   2.217  1.00  0.00           H  
HETATM   44  H   UNL     1       3.424   0.324  -0.258  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.204   1.413   2.389  1.00  0.00           H  
HETATM   46  H   UNL     1       0.974   0.202  -0.458  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.415   2.669   0.156  1.00  0.00           H  
HETATM   48  H   UNL     1       1.126  -4.023   0.180  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.005   1.986   1.627  1.00  0.00           H  
HETATM   50  H   UNL     1       7.483  -2.381  -0.765  1.00  0.00           H  
HETATM   51  H   UNL     1       7.634  -1.018  -1.900  1.00  0.00           H  
HETATM   52  H   UNL     1       7.265  -0.226   2.289  1.00  0.00           H  
HETATM   53  H   UNL     1       7.266  -1.912   1.717  1.00  0.00           H  
HETATM   54  H   UNL     1       5.361  -0.251  -1.291  1.00  0.00           H  
HETATM   55  H   UNL     1       5.321  -1.929  -1.882  1.00  0.00           H  
HETATM   56  H   UNL     1       4.961  -1.155   2.213  1.00  0.00           H  
HETATM   57  H   UNL     1       5.153   0.195   1.070  1.00  0.00           H  
HETATM   58  H   UNL     1       8.819   1.816   1.038  1.00  0.00           H  
HETATM   59  H   UNL     1       7.296   1.512   1.908  1.00  0.00           H  
HETATM   60  H   UNL     1       7.503   0.697  -2.192  1.00  0.00           H  
HETATM   61  H   UNL     1       8.940   1.339  -1.361  1.00  0.00           H  
HETATM   62  H   UNL     1       6.182   3.295   0.611  1.00  0.00           H  
HETATM   63  H   UNL     1       7.620   3.938   1.443  1.00  0.00           H  
HETATM   64  H   UNL     1       7.827   3.123  -2.657  1.00  0.00           H  
HETATM   65  H   UNL     1       6.304   2.819  -1.787  1.00  0.00           H  
HETATM   66  H   UNL     1       8.733  -0.534   0.290  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.944  -3.450   0.051  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.631  -3.139   0.524  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.164  -3.087  -1.193  1.00  0.00           H  
HETATM   70  H   UNL     1       7.865   5.735  -0.147  1.00  0.00           H  
HETATM   71  H   UNL     1       7.896   5.374  -1.890  1.00  0.00           H  
HETATM   72  H   UNL     1       6.385   5.181  -0.968  1.00  0.00           H  
HETATM   73  H   UNL     1       2.290  -5.286   1.378  1.00  0.00           H  
HETATM   74  H   UNL     1       2.455  -5.542  -0.376  1.00  0.00           H  
HETATM   75  H   UNL     1       3.690  -6.179   0.737  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.423  -0.800  -0.271  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.202  -1.163   0.972  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.913  -2.775  -0.652  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.119  -0.696  -0.308  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.912  -1.711  -1.382  1.00  0.00           H  
CONECT    1    4    4    2   42                                       
CONECT    2    6    6    1   43                                       
CONECT    3    5    5    9   44                                       
CONECT    4   11    1    1   45                                       
CONECT    5   10    3    3   46                                       
CONECT    6   13    2    2   47                                       
CONECT    7   10   10   12   48                                       
CONECT    8   30   30   29   49                                       
CONECT    9   12   12    3   32                                       
CONECT   10   35    7    7    5                                       
CONECT   11   36   13   13    4                                       
CONECT   12    7   40    9    9                                       
CONECT   13   41   11   11    6                                       
CONECT   14   29   29   31   35                                       
CONECT   15   30   36   31   31                                       
CONECT   16   18   24   50   51                                       
CONECT   17   19   24   52   53                                       
CONECT   18   32   16   54   55                                       
CONECT   19   32   17   56   57                                       
CONECT   20   33   22   58   59                                       
CONECT   21   33   23   60   61                                       
CONECT   22   20   34   62   63                                       
CONECT   23   21   34   64   65                                       
CONECT   24   16   17   33   66                                       
CONECT   25   28   67   68   69                                       
CONECT   26   34   70   71   72                                       
CONECT   27   40   73   74   75                                       
CONECT   28   37   25   76   77                                       
CONECT   29    8   14   14                                            
CONECT   30    8    8   15                                            
CONECT   31   15   15   14                                            
CONECT   32    9   19   18                                            
CONECT   33   24   21   20                                            
CONECT   34   23   22   26                                            
CONECT   35   14   10   78                                            
CONECT   36   15   11   79                                            
CONECT   37   41   28   80                                            
CONECT   38   41   41                                                 
CONECT   39   41   41                                                 
CONECT   40   12   27                                                 
CONECT   41   38   38   39   39                                       
CONECT   41   37   13                                                 
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
