COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.984   2.508   0.960  1.00  0.00           C  
HETATM    2  O   UNL     1      -9.091   1.699   0.542  1.00  0.00           O  
HETATM    3  C   UNL     1      -8.885   0.889   1.706  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.400   1.275   1.661  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.551   0.397   0.779  1.00  0.00           C  
HETATM    6  O   UNL     1      -7.055  -0.527   0.177  1.00  0.00           O  
HETATM    7  N   UNL     1      -5.230   0.638   0.659  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.404  -0.216  -0.198  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.478   0.287  -1.641  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.531  -0.536  -2.517  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.910   0.140  -2.160  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.066   1.760  -1.689  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.975  -0.172   0.277  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.542   0.830   0.806  1.00  0.00           O  
HETATM   15  N   UNL     1      -2.177  -1.247   0.114  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.596  -2.553  -0.426  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.574  -3.565   0.149  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.913  -3.932   1.488  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.262  -2.737   0.114  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.745  -1.308   0.439  1.00  0.00           C  
HETATM   21  C   UNL     1       0.019  -0.308  -0.391  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.570   0.404  -1.177  1.00  0.00           O  
HETATM   23  N   UNL     1       1.356  -0.205  -0.260  1.00  0.00           N  
HETATM   24  C   UNL     1       2.099   0.767  -1.066  1.00  0.00           C  
HETATM   25  C   UNL     1       3.566   0.681  -0.731  1.00  0.00           C  
HETATM   26  C   UNL     1       4.384  -0.183  -1.436  1.00  0.00           C  
HETATM   27  C   UNL     1       5.728  -0.266  -1.135  1.00  0.00           C  
HETATM   28  C   UNL     1       4.089   1.472   0.276  1.00  0.00           C  
HETATM   29  C   UNL     1       5.431   1.399   0.587  1.00  0.00           C  
HETATM   30  C   UNL     1       6.261   0.525  -0.116  1.00  0.00           C  
HETATM   31  C   UNL     1       7.701   0.441   0.213  1.00  0.00           C  
HETATM   32  S   UNL     1       9.032   0.467  -0.941  1.00  0.00           S  
HETATM   33  C   UNL     1      10.157   0.329   0.340  1.00  0.00           C  
HETATM   34  N   UNL     1       9.542   0.274   1.474  1.00  0.00           N  
HETATM   35  C   UNL     1       8.229   0.336   1.451  1.00  0.00           C  
HETATM   36  C   UNL     1       7.386   0.284   2.699  1.00  0.00           C  
HETATM   37  H   UNL     1      -7.372   2.865   0.132  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.266   3.304   1.649  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.402   1.262   2.590  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.061  -0.173   1.532  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.954   1.475   2.636  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.826   1.377   1.141  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.772  -1.241  -0.152  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.864  -1.574  -2.536  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.533  -0.135  -3.531  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.522  -0.486  -2.109  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.584   0.727  -1.536  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.962   0.499  -3.188  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.203  -0.909  -2.125  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.046   1.864  -1.320  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.119   2.118  -2.717  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.741   2.346  -1.065  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.603  -2.798  -0.089  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.553  -2.545  -1.515  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.497  -4.447  -0.488  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.773  -4.366   1.571  1.00  0.00           H  
HETATM   57  H   UNL     1       0.441  -3.088   0.870  1.00  0.00           H  
HETATM   58  H   UNL     1       0.186  -2.777  -0.878  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.601  -1.099   1.499  1.00  0.00           H  
HETATM   60  H   UNL     1       1.827  -0.774   0.369  1.00  0.00           H  
HETATM   61  H   UNL     1       1.954   0.547  -2.124  1.00  0.00           H  
HETATM   62  H   UNL     1       1.735   1.771  -0.851  1.00  0.00           H  
HETATM   63  H   UNL     1       3.970  -0.794  -2.224  1.00  0.00           H  
HETATM   64  H   UNL     1       6.365  -0.942  -1.685  1.00  0.00           H  
HETATM   65  H   UNL     1       3.446   2.148   0.820  1.00  0.00           H  
HETATM   66  H   UNL     1       5.839   2.017   1.374  1.00  0.00           H  
HETATM   67  H   UNL     1      11.229   0.292   0.217  1.00  0.00           H  
HETATM   68  H   UNL     1       7.152   1.298   3.022  1.00  0.00           H  
HETATM   69  H   UNL     1       6.461  -0.253   2.490  1.00  0.00           H  
HETATM   70  H   UNL     1       7.935  -0.231   3.487  1.00  0.00           H  
CONECT    1    4    2   37   38                                       
CONECT    2    3    1                                                 
CONECT    3    4    2   39   40                                       
CONECT    4    5    3    1   41                                       
CONECT    5    7    6    6    4                                       
CONECT    6    5    5                                                 
CONECT    7    8    5   42                                            
CONECT    8   13    9    7   43                                       
CONECT    9   10    8   11   12                                       
CONECT   10    9   44   45   46                                       
CONECT   11    9   47   48   49                                       
CONECT   12    9   50   51   52                                       
CONECT   13   15   14   14    8                                       
CONECT   14   13   13                                                 
CONECT   15   20   16   13                                            
CONECT   16   17   15   53   54                                       
CONECT   17   19   18   16   55                                       
CONECT   18   17   56                                                 
CONECT   19   20   17   57   58                                       
CONECT   20   21   19   15   59                                       
CONECT   21   23   22   22   20                                       
CONECT   22   21   21                                                 
CONECT   23   24   21   60                                            
CONECT   24   25   23   61   62                                       
CONECT   25   26   26   28   24                                       
CONECT   26   27   25   25   63                                       
CONECT   27   30   30   26   64                                       
CONECT   28   29   29   25   65                                       
CONECT   29   30   28   28   66                                       
CONECT   30   31   27   27   29                                       
CONECT   31   35   35   32   30                                       
CONECT   32   33   31                                                 
CONECT   33   34   34   32   67                                       
CONECT   34   33   33   35                                            
CONECT   35   34   36   31   31                                       
CONECT   36   35   68   69   70                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   33                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
