COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       2.793   3.982   0.384  1.00  0.00           S  
HETATM    2  C   UNL     1       3.152   2.223   0.645  1.00  0.00           C  
HETATM    3  C   UNL     1       1.961   1.384   0.176  1.00  0.00           C  
HETATM    4  C   UNL     1       2.264  -0.099   0.396  1.00  0.00           C  
HETATM    5  N   UNL     1       3.382  -0.502  -0.460  1.00  0.00           N  
HETATM    6  C   UNL     1       4.651  -0.314  -0.045  1.00  0.00           C  
HETATM    7  O   UNL     1       4.866   0.188   1.038  1.00  0.00           O  
HETATM    8  C   UNL     1       5.801  -0.728  -0.925  1.00  0.00           C  
HETATM    9  C   UNL     1       7.122  -0.408  -0.223  1.00  0.00           C  
HETATM   10  C   UNL     1       8.290  -0.828  -1.118  1.00  0.00           C  
HETATM   11  C   UNL     1       8.291   0.023  -2.389  1.00  0.00           C  
HETATM   12  C   UNL     1       9.607  -0.623  -0.366  1.00  0.00           C  
HETATM   13  C   UNL     1       1.046  -0.917   0.050  1.00  0.00           C  
HETATM   14  O   UNL     1       1.107  -1.754  -0.826  1.00  0.00           O  
HETATM   15  N   UNL     1      -0.110  -0.719   0.713  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.293  -1.513   0.376  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.555  -0.740   0.765  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.540  -0.479   2.170  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.596   0.585   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.920   1.297   0.283  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.895   2.691  -0.347  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.055   0.499  -0.306  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.827  -0.536  -0.895  1.00  0.00           O  
HETATM   24  N   UNL     1      -6.324   0.937  -0.179  1.00  0.00           N  
HETATM   25  C   UNL     1      -7.427   0.161  -0.752  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.751   0.873  -0.468  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.903   0.063  -1.067  1.00  0.00           C  
HETATM   28  C   UNL     1     -11.228   0.775  -0.784  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.252  -2.838   1.141  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.058  -3.667   0.662  1.00  0.00           C  
HETATM   31  C   UNL     1       0.056  -4.934   1.511  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.261  -4.052  -0.805  1.00  0.00           C  
HETATM   33  C   UNL     1       4.296   4.799   0.990  1.00  0.00           C  
HETATM   34  H   UNL     1       4.039   1.944   0.076  1.00  0.00           H  
HETATM   35  H   UNL     1       3.329   2.041   1.705  1.00  0.00           H  
HETATM   36  H   UNL     1       1.074   1.663   0.745  1.00  0.00           H  
HETATM   37  H   UNL     1       1.784   1.566  -0.884  1.00  0.00           H  
HETATM   38  H   UNL     1       2.528  -0.265   1.441  1.00  0.00           H  
HETATM   39  H   UNL     1       3.210  -0.903  -1.326  1.00  0.00           H  
HETATM   40  H   UNL     1       5.743  -1.799  -1.119  1.00  0.00           H  
HETATM   41  H   UNL     1       5.750  -0.185  -1.869  1.00  0.00           H  
HETATM   42  H   UNL     1       7.180   0.663  -0.030  1.00  0.00           H  
HETATM   43  H   UNL     1       7.173  -0.951   0.720  1.00  0.00           H  
HETATM   44  H   UNL     1       8.184  -1.880  -1.384  1.00  0.00           H  
HETATM   45  H   UNL     1       9.123  -0.277  -3.026  1.00  0.00           H  
HETATM   46  H   UNL     1       7.353  -0.123  -2.924  1.00  0.00           H  
HETATM   47  H   UNL     1       8.398   1.074  -2.123  1.00  0.00           H  
HETATM   48  H   UNL     1       9.607  -1.230   0.540  1.00  0.00           H  
HETATM   49  H   UNL     1      10.439  -0.923  -1.003  1.00  0.00           H  
HETATM   50  H   UNL     1       9.714   0.428  -0.100  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.158  -0.049   1.414  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.304  -1.712  -0.695  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.435  -1.331   0.514  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.782   0.045   2.464  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.768   1.217   0.323  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.509   0.391  -1.069  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.061   1.387   1.361  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.812   3.221  -0.091  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.037   3.245   0.032  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.819   2.598  -1.430  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.506   1.765   0.292  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.286   0.071  -1.829  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.444  -0.832  -0.303  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.892   0.963   0.609  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.733   1.866  -0.917  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.763  -0.027  -2.144  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.921  -0.930  -0.618  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.368   0.865   0.294  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.210   1.768  -1.232  1.00  0.00           H  
HETATM   70  H   UNL     1     -12.049   0.198  -1.210  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.152  -2.639   2.208  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.174  -3.391   0.960  1.00  0.00           H  
HETATM   73  H   UNL     1       0.854  -3.079   0.761  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.857  -5.522   1.412  1.00  0.00           H  
HETATM   75  H   UNL     1       0.906  -5.525   1.169  1.00  0.00           H  
HETATM   76  H   UNL     1       0.200  -4.660   2.556  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.343  -3.149  -1.410  1.00  0.00           H  
HETATM   78  H   UNL     1       0.590  -4.642  -1.146  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.174  -4.639  -0.904  1.00  0.00           H  
HETATM   80  H   UNL     1       4.191   5.878   0.880  1.00  0.00           H  
HETATM   81  H   UNL     1       4.444   4.553   2.041  1.00  0.00           H  
HETATM   82  H   UNL     1       5.154   4.456   0.412  1.00  0.00           H  
CONECT    1    2   33                                                 
CONECT    2    1    3   34   35                                       
CONECT    3    2    4   36   37                                       
CONECT    4    3   13    5   38                                       
CONECT    5    4    6   39                                            
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   40   41                                       
CONECT    9    8   10   42   43                                       
CONECT   10    9   12   11   44                                       
CONECT   11   10   45   46   47                                       
CONECT   12   10   48   49   50                                       
CONECT   13    4   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   51                                            
CONECT   16   15   17   29   52                                       
CONECT   17   16   19   18   53                                       
CONECT   18   17   54                                                 
CONECT   19   17   20   55   56                                       
CONECT   20   19   22   21   57                                       
CONECT   21   20   58   59   60                                       
CONECT   22   20   24   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   61                                            
CONECT   25   24   26   62   63                                       
CONECT   26   25   27   64   65                                       
CONECT   27   26   28   66   67                                       
CONECT   28   27   68   69   70                                       
CONECT   29   16   30   71   72                                       
CONECT   30   29   31   32   73                                       
CONECT   31   30   74   75   76                                       
CONECT   32   30   77   78   79                                       
CONECT   33    1   80   81   82                                       
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
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   28                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
