COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.912   4.602   0.189  1.00  0.00           C  
HETATM    2  C   UNL     1       0.113   3.566   0.633  1.00  0.00           C  
HETATM    3  C   UNL     1       0.463   2.836   1.903  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.946   1.865  -0.450  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.703   0.701   0.192  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.689  -0.801  -0.013  1.00  0.00           C  
HETATM    7  C   UNL     1       2.591   1.534   1.438  1.00  0.00           C  
HETATM    8  C   UNL     1       1.071  -0.795   0.971  1.00  0.00           C  
HETATM    9  C   UNL     1       2.012  -0.772  -0.063  1.00  0.00           C  
HETATM   10  C   UNL     1       1.370  -3.163   1.204  1.00  0.00           C  
HETATM   11  C   UNL     1       3.032   2.568   0.435  1.00  0.00           C  
HETATM   12  C   UNL     1       2.970  -4.392  -0.257  1.00  0.00           C  
HETATM   13  C   UNL     1       4.281   4.540  -0.097  1.00  0.00           C  
HETATM   14  C   UNL     1       2.987   3.449  -1.791  1.00  0.00           C  
HETATM   15  C   UNL     1       3.913  -4.438  -1.286  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.794   0.470   1.580  1.00  0.00           O  
HETATM   17  C   UNL     1       0.407   0.453   1.394  1.00  0.00           C  
HETATM   18  C   UNL     1       2.624  -1.933  -0.458  1.00  0.00           C  
HETATM   19  C   UNL     1       2.309  -3.138   0.171  1.00  0.00           C  
HETATM   20  C   UNL     1       2.710  -5.585   0.308  1.00  0.00           C  
HETATM   21  S   UNL     1       3.638  -6.812  -0.429  1.00  0.00           S  
HETATM   22  C   UNL     1       4.388  -5.660  -1.524  1.00  0.00           C  
HETATM   23  C   UNL     1       0.756  -2.003   1.601  1.00  0.00           C  
HETATM   24  N   UNL     1       1.133   1.575   1.573  1.00  0.00           N  
HETATM   25  C   UNL     1       2.587   2.497  -0.872  1.00  0.00           C  
HETATM   26  C   UNL     1       3.842   4.465  -1.406  1.00  0.00           C  
HETATM   27  C   UNL     1       3.876   3.592   0.823  1.00  0.00           C  
HETATM   28  C   UNL     1       0.589   5.278  -0.973  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.534   4.918  -1.695  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.337   3.882  -1.255  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.011   3.200  -0.093  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.798   2.181   0.341  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.932   0.363  -0.655  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.918  -1.138  -0.860  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.664  -2.286  -0.228  1.00  0.00           C  
HETATM   36  O   UNL     1      -7.255  -2.782   0.794  1.00  0.00           O  
HETATM   37  O   UNL     1      -8.783  -2.756  -0.802  1.00  0.00           O  
HETATM   38  H   UNL     1       1.788   4.888   0.753  1.00  0.00           H  
HETATM   39  H   UNL     1       1.128   3.453   2.507  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.448   2.627   2.464  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.629   1.584  -1.454  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.599   2.736  -0.506  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.050  -0.170   0.248  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.020   0.983   1.196  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.036  -1.672   0.043  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.006  -0.519   0.991  1.00  0.00           H  
HETATM   47  H   UNL     1       2.897   0.544   1.098  1.00  0.00           H  
HETATM   48  H   UNL     1       3.051   1.745   2.404  1.00  0.00           H  
HETATM   49  H   UNL     1       2.256   0.161  -0.550  1.00  0.00           H  
HETATM   50  H   UNL     1       1.126  -4.096   1.691  1.00  0.00           H  
HETATM   51  H   UNL     1       4.941   5.340   0.206  1.00  0.00           H  
HETATM   52  H   UNL     1       2.644   3.391  -2.813  1.00  0.00           H  
HETATM   53  H   UNL     1       4.228  -3.565  -1.837  1.00  0.00           H  
HETATM   54  H   UNL     1       3.351  -1.915  -1.257  1.00  0.00           H  
HETATM   55  H   UNL     1       2.011  -5.744   1.116  1.00  0.00           H  
HETATM   56  H   UNL     1       5.122  -5.905  -2.277  1.00  0.00           H  
HETATM   57  H   UNL     1       0.030  -2.022   2.400  1.00  0.00           H  
HETATM   58  H   UNL     1       1.928   1.698  -1.175  1.00  0.00           H  
HETATM   59  H   UNL     1       4.154   5.209  -2.124  1.00  0.00           H  
HETATM   60  H   UNL     1       4.220   3.650   1.845  1.00  0.00           H  
HETATM   61  H   UNL     1       1.214   6.088  -1.318  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.785   5.447  -2.602  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.214   3.602  -1.819  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.585   1.235  -0.711  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.615   0.082  -1.659  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.571  -0.268  -0.916  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.601  -1.420  -1.864  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.227  -3.492  -0.359  1.00  0.00           H  
CONECT    1   28    2    2   38                                       
CONECT    2    1    1   31    3                                       
CONECT    3   24    2   39   40                                       
CONECT    4   32    5   41   42                                       
CONECT    5   33    4   43   44                                       
CONECT    6   34   33   45   46                                       
CONECT    7   11   24   47   48                                       
CONECT    8   17   23   23    9                                       
CONECT    9    8   18   18   49                                       
CONECT   10   23   19   19   50                                       
CONECT   11   25   25   27    7                                       
CONECT   12   19   20   20   15                                       
CONECT   13   26   27   27   51                                       
CONECT   14   26   26   25   52                                       
CONECT   15   12   22   22   53                                       
CONECT   16   17   17                                                 
CONECT   17   24   16   16    8                                       
CONECT   18    9    9   19   54                                       
CONECT   19   10   10   18   12                                       
CONECT   20   12   12   21   55                                       
CONECT   21   20   22                                                 
CONECT   22   15   15   21   56                                       
CONECT   23    8    8   10   57                                       
CONECT   24    7    3   17                                            
CONECT   25   14   11   11   58                                       
CONECT   26   14   14   13   59                                       
CONECT   27   13   13   11   60                                       
CONECT   28   29   29    1   61                                       
CONECT   29   28   28   30   62                                       
CONECT   30   29   31   31   63                                       
CONECT   31   30   30    2   32                                       
CONECT   32   31    4                                                 
CONECT   33    6    5   64   65                                       
CONECT   34   35    6   66   67                                       
CONECT   35   36   36   37   34                                       
CONECT   36   35   35                                                 
CONECT   37   35   68                                                 
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   18                                                      
CONECT   55   20                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   37                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
