COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.231  -2.235   1.693  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.157  -1.358   0.568  1.00  0.00           C  
HETATM    3  C   UNL     1       1.034  -0.411   0.736  1.00  0.00           C  
HETATM    4  C   UNL     1       2.331  -1.222   0.769  1.00  0.00           C  
HETATM    5  O   UNL     1       3.431  -0.352   1.040  1.00  0.00           O  
HETATM    6  O   UNL     1       1.072   0.504  -0.362  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.086   1.334  -0.470  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.243   2.091   0.731  1.00  0.00           O  
HETATM    9  C   UNL     1       0.747   3.106   0.912  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.322   0.457  -0.687  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.189  -0.262  -1.915  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.445  -0.534   0.475  1.00  0.00           C  
HETATM   13  S   UNL     1      -2.853  -1.640   0.183  1.00  0.00           S  
HETATM   14  C   UNL     1      -4.275  -0.515   0.243  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.570  -1.331   0.260  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.767  -0.374   0.250  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.668   0.536  -0.978  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.331   1.280  -0.946  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.270   2.169   0.297  1.00  0.00           C  
HETATM   20  O   UNL     1      -5.613  -2.136   1.439  1.00  0.00           O  
HETATM   21  O   UNL     1      -6.753   0.421   1.437  1.00  0.00           O  
HETATM   22  O   UNL     1      -6.748  -0.254  -2.166  1.00  0.00           O  
HETATM   23  O   UNL     1      -4.261   0.332  -0.907  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.091   2.976   0.249  1.00  0.00           O  
HETATM   25  C   UNL     1       4.696  -1.013   1.093  1.00  0.00           C  
HETATM   26  C   UNL     1       5.756  -0.047   1.628  1.00  0.00           C  
HETATM   27  C   UNL     1       5.890   1.137   0.665  1.00  0.00           C  
HETATM   28  C   UNL     1       6.237   0.608  -0.730  1.00  0.00           C  
HETATM   29  C   UNL     1       5.159  -0.384  -1.175  1.00  0.00           C  
HETATM   30  C   UNL     1       5.530  -0.962  -2.542  1.00  0.00           C  
HETATM   31  O   UNL     1       7.011  -0.723   1.731  1.00  0.00           O  
HETATM   32  O   UNL     1       6.928   2.007   1.118  1.00  0.00           O  
HETATM   33  O   UNL     1       6.293   1.697  -1.653  1.00  0.00           O  
HETATM   34  O   UNL     1       5.065  -1.443  -0.220  1.00  0.00           O  
HETATM   35  O   UNL     1       4.469  -1.799  -3.009  1.00  0.00           O  
HETATM   36  H   UNL     1       0.555  -2.785   1.816  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.032  -1.942  -0.344  1.00  0.00           H  
HETATM   38  H   UNL     1       0.929   0.145   1.668  1.00  0.00           H  
HETATM   39  H   UNL     1       2.265  -1.980   1.550  1.00  0.00           H  
HETATM   40  H   UNL     1       2.480  -1.707  -0.196  1.00  0.00           H  
HETATM   41  H   UNL     1       0.031   2.012  -1.315  1.00  0.00           H  
HETATM   42  H   UNL     1       1.735   2.647   0.949  1.00  0.00           H  
HETATM   43  H   UNL     1       0.703   3.809   0.080  1.00  0.00           H  
HETATM   44  H   UNL     1       0.557   3.635   1.846  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.212   1.085  -0.726  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.102   0.304  -2.694  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.596   0.013   1.406  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.218   0.095   1.145  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.608  -1.972  -0.621  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.692  -0.948   0.207  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.486   1.257  -0.963  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.236   1.897  -1.840  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.149   2.812   0.327  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.246   1.544   1.190  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.880  -2.764   1.514  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.805  -0.092   2.255  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.572  -0.753  -2.252  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.988   3.566   1.008  1.00  0.00           H  
HETATM   59  H   UNL     1       4.627  -1.878   1.752  1.00  0.00           H  
HETATM   60  H   UNL     1       5.455   0.315   2.611  1.00  0.00           H  
HETATM   61  H   UNL     1       4.947   1.683   0.625  1.00  0.00           H  
HETATM   62  H   UNL     1       7.204   0.105  -0.699  1.00  0.00           H  
HETATM   63  H   UNL     1       4.200   0.129  -1.245  1.00  0.00           H  
HETATM   64  H   UNL     1       5.688  -0.148  -3.250  1.00  0.00           H  
HETATM   65  H   UNL     1       6.444  -1.549  -2.453  1.00  0.00           H  
HETATM   66  H   UNL     1       6.998  -1.488   2.323  1.00  0.00           H  
HETATM   67  H   UNL     1       6.777   2.374   2.000  1.00  0.00           H  
HETATM   68  H   UNL     1       6.956   2.366  -1.433  1.00  0.00           H  
HETATM   69  H   UNL     1       4.636  -2.200  -3.872  1.00  0.00           H  
CONECT    1    2   36                                                 
CONECT    2    3   12    1   37                                       
CONECT    3    6    2    4   38                                       
CONECT    4    5    3   40   39                                       
CONECT    5   25    4                                                 
CONECT    6    3    7                                                 
CONECT    7    6    8   10   41                                       
CONECT    8    7    9                                                 
CONECT    9    8   42   43   44                                       
CONECT   10    7   11   12   45                                       
CONECT   11   10   46                                                 
CONECT   12   10    2   13   47                                       
CONECT   13   12   14                                                 
CONECT   14   23   13   15   48                                       
CONECT   15   14   20   16   49                                       
CONECT   16   15   21   17   50                                       
CONECT   17   18   16   22   51                                       
CONECT   18   23   17   19   52                                       
CONECT   19   18   24   53   54                                       
CONECT   20   15   55                                                 
CONECT   21   16   56                                                 
CONECT   22   17   57                                                 
CONECT   23   18   14                                                 
CONECT   24   19   58                                                 
CONECT   25   34    5   26   59                                       
CONECT   26   25   31   27   60                                       
CONECT   27   26   32   28   61                                       
CONECT   28   29   27   33   62                                       
CONECT   29   34   28   30   63                                       
CONECT   30   29   35   64   65                                       
CONECT   31   26   66                                                 
CONECT   32   27   67                                                 
CONECT   33   28   68                                                 
CONECT   34   29   25                                                 
CONECT   35   30   69                                                 
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   35                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
