COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.260  -0.100  -2.234  1.00  0.00           C  
HETATM    2  C   UNL     1       1.902   0.312  -0.909  1.00  0.00           C  
HETATM    3  C   UNL     1       3.366  -0.131  -0.891  1.00  0.00           C  
HETATM    4  C   UNL     1       4.009   0.281   0.434  1.00  0.00           C  
HETATM    5  C   UNL     1       5.451  -0.156   0.451  1.00  0.00           C  
HETATM    6  O   UNL     1       5.917  -0.738  -0.499  1.00  0.00           O  
HETATM    7  O   UNL     1       6.218   0.101   1.522  1.00  0.00           O  
HETATM    8  S   UNL     1      -0.475   0.426  -2.255  1.00  0.00           S  
HETATM    9  C   UNL     1      -0.954  -0.159  -3.846  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.254   0.034  -4.298  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.626  -0.426  -5.545  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.706  -1.080  -6.345  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.411  -1.274  -5.899  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.031  -0.811  -4.655  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.116  -1.582  -7.705  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.868  -0.507  -8.733  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.649  -0.438  -9.380  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.422   0.547 -10.323  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.414   1.463 -10.617  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.634   1.393  -9.970  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.862   0.405  -9.031  1.00  0.00           C  
HETATM   22  N   UNL     1       1.186  -0.322   0.199  1.00  0.00           N  
HETATM   23  C   UNL     1       1.122   0.289   1.399  1.00  0.00           C  
HETATM   24  O   UNL     1       1.658   1.364   1.560  1.00  0.00           O  
HETATM   25  C   UNL     1       0.385  -0.364   2.539  1.00  0.00           C  
HETATM   26  C   UNL     1       0.465   0.531   3.777  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.282  -0.132   4.935  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.203   0.763   6.174  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.951   0.099   7.332  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.872   0.995   8.570  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.609   0.341   9.710  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.939  -0.510  10.568  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.615  -1.109  11.614  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.961  -0.856  11.803  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.630  -0.003  10.946  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.953   0.598   9.902  1.00  0.00           C  
HETATM   37  H   UNL     1       1.793   0.372  -3.059  1.00  0.00           H  
HETATM   38  H   UNL     1       1.312  -1.183  -2.341  1.00  0.00           H  
HETATM   39  H   UNL     1       1.850   1.396  -0.802  1.00  0.00           H  
HETATM   40  H   UNL     1       3.899   0.341  -1.716  1.00  0.00           H  
HETATM   41  H   UNL     1       3.418  -1.215  -0.998  1.00  0.00           H  
HETATM   42  H   UNL     1       3.476  -0.191   1.259  1.00  0.00           H  
HETATM   43  H   UNL     1       3.957   1.365   0.541  1.00  0.00           H  
HETATM   44  H   UNL     1       7.143  -0.179   1.533  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.973   0.544  -3.673  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.636  -0.276  -5.897  1.00  0.00           H  
HETATM   47  H   UNL     1       0.304  -1.785  -6.526  1.00  0.00           H  
HETATM   48  H   UNL     1       0.980  -0.963  -4.308  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.531  -2.467  -7.957  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.175  -1.837  -7.695  1.00  0.00           H  
HETATM   51  H   UNL     1       0.126  -1.154  -9.150  1.00  0.00           H  
HETATM   52  H   UNL     1       0.530   0.601 -10.828  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.236   2.233 -11.353  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.409   2.109 -10.200  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.815   0.350  -8.526  1.00  0.00           H  
HETATM   56  H   UNL     1       0.757  -1.182   0.070  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.658  -0.509   2.262  1.00  0.00           H  
HETATM   58  H   UNL     1       0.840  -1.330   2.760  1.00  0.00           H  
HETATM   59  H   UNL     1       1.509   0.675   4.055  1.00  0.00           H  
HETATM   60  H   UNL     1       0.010   1.496   3.557  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.327  -0.276   4.658  1.00  0.00           H  
HETATM   62  H   UNL     1       0.171  -1.098   5.156  1.00  0.00           H  
HETATM   63  H   UNL     1       0.840   0.907   6.451  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.658   1.729   5.953  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.995  -0.044   7.054  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.497  -0.866   7.552  1.00  0.00           H  
HETATM   67  H   UNL     1       0.171   1.139   8.847  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.326   1.961   8.349  1.00  0.00           H  
HETATM   69  H   UNL     1       0.112  -0.707  10.421  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.092  -1.775  12.284  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.489  -1.325  12.620  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.682   0.193  11.093  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.477   1.265   9.232  1.00  0.00           H  
CONECT    1    2    8   37   38                                       
CONECT    2    1    3   22   39                                       
CONECT    3    2    4   40   41                                       
CONECT    4    3    5   42   43                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5   44                                                 
CONECT    8    1    9                                                 
CONECT    9    8   10   10   14                                       
CONECT   10    9    9   11   45                                       
CONECT   11   10   12   12   46                                       
CONECT   12   11   11   13   15                                       
CONECT   13   12   14   14   47                                       
CONECT   14    9   13   13   48                                       
CONECT   15   12   16   49   50                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   51                                       
CONECT   18   17   19   19   52                                       
CONECT   19   18   18   20   53                                       
CONECT   20   19   21   21   54                                       
CONECT   21   16   20   20   55                                       
CONECT   22    2   23   56                                            
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   57   58                                       
CONECT   26   25   27   59   60                                       
CONECT   27   26   28   61   62                                       
CONECT   28   27   29   63   64                                       
CONECT   29   28   30   65   66                                       
CONECT   30   29   31   67   68                                       
CONECT   31   30   32   32   36                                       
CONECT   32   31   31   33   69                                       
CONECT   33   32   34   34   70                                       
CONECT   34   33   33   35   71                                       
CONECT   35   34   36   36   72                                       
CONECT   36   31   35   35   73                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    7                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
