COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.844  -0.428  -0.097  1.00  0.00           C  
HETATM    2  O   UNL     1       5.214  -1.575  -0.253  1.00  0.00           O  
HETATM    3  O   UNL     1       5.746   0.570  -0.047  1.00  0.00           O  
HETATM    4  C   UNL     1       7.144   0.202  -0.187  1.00  0.00           C  
HETATM    5  C   UNL     1       7.999   1.441  -0.106  1.00  0.00           C  
HETATM    6  C   UNL     1       8.475   1.874   1.117  1.00  0.00           C  
HETATM    7  C   UNL     1       9.259   3.010   1.191  1.00  0.00           C  
HETATM    8  C   UNL     1       9.568   3.712   0.041  1.00  0.00           C  
HETATM    9  C   UNL     1       9.093   3.278  -1.182  1.00  0.00           C  
HETATM   10  C   UNL     1       8.312   2.140  -1.257  1.00  0.00           C  
HETATM   11  N   UNL     1       3.529  -0.155   0.021  1.00  0.00           N  
HETATM   12  C   UNL     1       2.547  -1.240  -0.039  1.00  0.00           C  
HETATM   13  C   UNL     1       1.219  -0.692  -0.494  1.00  0.00           C  
HETATM   14  O   UNL     1       0.947   0.474  -0.302  1.00  0.00           O  
HETATM   15  C   UNL     1       2.392  -1.866   1.349  1.00  0.00           C  
HETATM   16  C   UNL     1       3.693  -2.570   1.740  1.00  0.00           C  
HETATM   17  C   UNL     1       3.582  -3.087   3.175  1.00  0.00           C  
HETATM   18  C   UNL     1       3.941  -3.745   0.792  1.00  0.00           C  
HETATM   19  N   UNL     1       0.335  -1.497  -1.115  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.946  -1.073  -1.700  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.818  -0.458  -0.636  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.416  -0.378   0.506  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.627  -2.334  -2.273  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.955  -3.484  -1.478  1.00  0.00           C  
HETATM   25  C   UNL     1       0.493  -2.948  -1.324  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.044   0.002  -0.952  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.892   0.600   0.083  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.339   0.470  -0.316  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.634  -0.069  -1.362  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.537   2.080   0.241  1.00  0.00           C  
HETATM   31  N   UNL     1      -6.306   0.952   0.489  1.00  0.00           N  
HETATM   32  C   UNL     1      -7.713   0.826   0.101  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.240  -0.544   0.533  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.346  -1.641  -0.048  1.00  0.00           C  
HETATM   35  O   UNL     1      -8.232  -0.629   1.960  1.00  0.00           O  
HETATM   36  S   UNL     1      -8.005   3.545   0.158  1.00  0.00           S  
HETATM   37  C   UNL     1      -8.531   1.925   0.782  1.00  0.00           C  
HETATM   38  H   UNL     1       7.421  -0.484   0.614  1.00  0.00           H  
HETATM   39  H   UNL     1       7.297  -0.283  -1.151  1.00  0.00           H  
HETATM   40  H   UNL     1       8.233   1.325   2.016  1.00  0.00           H  
HETATM   41  H   UNL     1       9.630   3.348   2.147  1.00  0.00           H  
HETATM   42  H   UNL     1      10.181   4.600   0.099  1.00  0.00           H  
HETATM   43  H   UNL     1       9.334   3.827  -2.081  1.00  0.00           H  
HETATM   44  H   UNL     1       7.944   1.799  -2.213  1.00  0.00           H  
HETATM   45  H   UNL     1       3.234   0.760   0.146  1.00  0.00           H  
HETATM   46  H   UNL     1       2.887  -2.000  -0.743  1.00  0.00           H  
HETATM   47  H   UNL     1       2.169  -1.085   2.076  1.00  0.00           H  
HETATM   48  H   UNL     1       1.578  -2.590   1.332  1.00  0.00           H  
HETATM   49  H   UNL     1       4.522  -1.866   1.670  1.00  0.00           H  
HETATM   50  H   UNL     1       2.752  -3.791   3.244  1.00  0.00           H  
HETATM   51  H   UNL     1       4.508  -3.589   3.454  1.00  0.00           H  
HETATM   52  H   UNL     1       3.405  -2.250   3.850  1.00  0.00           H  
HETATM   53  H   UNL     1       3.112  -4.449   0.861  1.00  0.00           H  
HETATM   54  H   UNL     1       4.021  -3.376  -0.231  1.00  0.00           H  
HETATM   55  H   UNL     1       4.868  -4.247   1.070  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.768  -0.351  -2.496  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.701  -2.311  -2.085  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.423  -2.431  -3.339  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.431  -3.618  -0.507  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.966  -4.412  -2.049  1.00  0.00           H  
HETATM   61  H   UNL     1       1.070  -3.140  -2.229  1.00  0.00           H  
HETATM   62  H   UNL     1       0.976  -3.405  -0.461  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.366  -0.062  -1.865  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.728   0.084   1.029  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.168   2.524   1.010  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.490   2.174   0.529  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.701   2.595  -0.706  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.070   1.383   1.325  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.802   0.924  -0.981  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.259  -0.674   0.167  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.356  -0.523   2.355  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.721  -2.617   0.260  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.352  -1.577  -1.136  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.327  -1.512   0.318  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.589   1.778   0.565  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.371   1.881   1.860  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.794   4.400   0.832  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   38   39                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   40                                       
CONECT    7    6    8    8   41                                       
CONECT    8    7    7    9   42                                       
CONECT    9    8   10   10   43                                       
CONECT   10    5    9    9   44                                       
CONECT   11   12   45    1                                            
CONECT   12   11   13   15   46                                       
CONECT   13   12   14   14   19                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   47   48                                       
CONECT   16   15   17   18   49                                       
CONECT   17   16   50   51   52                                       
CONECT   18   16   53   54   55                                       
CONECT   19   20   25   13                                            
CONECT   20   19   21   23   56                                       
CONECT   21   20   22   22   26                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   57   58                                       
CONECT   24   23   25   59   60                                       
CONECT   25   19   24   61   62                                       
CONECT   26   27   63   21                                            
CONECT   27   26   28   30   64                                       
CONECT   28   27   29   29   31                                       
CONECT   29   28   28                                                 
CONECT   30   27   65   66   67                                       
CONECT   31   68   32   28                                            
CONECT   32   31   37   33   69                                       
CONECT   33   32   34   35   70                                       
CONECT   34   33   73   74   72                                       
CONECT   35   33   71                                                 
CONECT   36   37   77                                                 
CONECT   37   32   36   75   76                                       
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   20                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   35                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   36                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
