COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.910   3.376   0.553  1.00  0.00           C  
HETATM    2  C   UNL     1       4.731   2.447  -0.068  1.00  0.00           C  
HETATM    3  C   UNL     1       4.653   1.110   0.287  1.00  0.00           C  
HETATM    4  C   UNL     1       3.753   0.703   1.262  1.00  0.00           C  
HETATM    5  C   UNL     1       2.936   1.630   1.880  1.00  0.00           C  
HETATM    6  C   UNL     1       3.012   2.964   1.527  1.00  0.00           C  
HETATM    7  S   UNL     1       3.652  -0.998   1.712  1.00  0.00           S  
HETATM    8  O   UNL     1       4.835  -1.616   1.223  1.00  0.00           O  
HETATM    9  O   UNL     1       3.261  -1.033   3.077  1.00  0.00           O  
HETATM   10  N   UNL     1       2.375  -1.638   0.832  1.00  0.00           N  
HETATM   11  C   UNL     1       2.321  -3.129   0.826  1.00  0.00           C  
HETATM   12  C   UNL     1       2.319  -3.599  -0.629  1.00  0.00           C  
HETATM   13  C   UNL     1       3.493  -4.553  -0.859  1.00  0.00           C  
HETATM   14  C   UNL     1       4.238  -4.147  -2.132  1.00  0.00           C  
HETATM   15  C   UNL     1       1.396  -0.804   0.130  1.00  0.00           C  
HETATM   16  C   UNL     1       0.033  -0.932   0.814  1.00  0.00           C  
HETATM   17  O   UNL     1       0.107  -0.380   2.130  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.018  -0.174   0.002  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.342  -0.395   0.590  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.446  -0.279  -0.175  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.344   0.008  -1.351  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.663  -0.482   0.366  1.00  0.00           O  
HETATM   23  C   UNL     1      -5.807  -0.341  -0.516  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.168  -1.697  -1.148  1.00  0.00           C  
HETATM   25  O   UNL     1      -7.469  -2.062  -0.668  1.00  0.00           O  
HETATM   26  C   UNL     1      -8.168  -0.853  -0.319  1.00  0.00           C  
HETATM   27  O   UNL     1      -9.071  -1.137   0.759  1.00  0.00           O  
HETATM   28  C   UNL     1      -8.411  -0.979   2.018  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.961  -0.534   1.733  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.060   0.062   0.289  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.696   1.321   0.019  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.847   2.540  -0.370  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.727   3.216  -1.194  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.419   3.406  -2.528  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.230   2.919  -3.038  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.349   2.243  -2.215  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.658   2.053  -0.881  1.00  0.00           C  
HETATM   38  O   UNL     1       3.988   4.689   0.211  1.00  0.00           O  
HETATM   39  C   UNL     1       3.112   5.589   0.891  1.00  0.00           C  
HETATM   40  O   UNL     1       5.455   0.196  -0.320  1.00  0.00           O  
HETATM   41  C   UNL     1       5.597   0.299  -1.738  1.00  0.00           C  
HETATM   42  C   UNL     1       6.336  -0.933  -2.266  1.00  0.00           C  
HETATM   43  C   UNL     1       5.340  -2.016  -2.588  1.00  0.00           C  
HETATM   44  C   UNL     1       5.234  -3.064  -1.808  1.00  0.00           C  
HETATM   45  H   UNL     1       5.431   2.765  -0.827  1.00  0.00           H  
HETATM   46  H   UNL     1       2.237   1.312   2.639  1.00  0.00           H  
HETATM   47  H   UNL     1       2.372   3.688   2.010  1.00  0.00           H  
HETATM   48  H   UNL     1       3.193  -3.531   1.342  1.00  0.00           H  
HETATM   49  H   UNL     1       1.411  -3.466   1.324  1.00  0.00           H  
HETATM   50  H   UNL     1       1.383  -4.116  -0.843  1.00  0.00           H  
HETATM   51  H   UNL     1       2.416  -2.737  -1.290  1.00  0.00           H  
HETATM   52  H   UNL     1       4.173  -4.503  -0.009  1.00  0.00           H  
HETATM   53  H   UNL     1       3.118  -5.571  -0.966  1.00  0.00           H  
HETATM   54  H   UNL     1       4.761  -5.012  -2.539  1.00  0.00           H  
HETATM   55  H   UNL     1       3.524  -3.776  -2.868  1.00  0.00           H  
HETATM   56  H   UNL     1       1.720   0.236   0.157  1.00  0.00           H  
HETATM   57  H   UNL     1       1.315  -1.133  -0.906  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.244  -1.984   0.877  1.00  0.00           H  
HETATM   59  H   UNL     1       0.351   0.556   2.151  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.013  -0.535  -1.027  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.424  -0.624   1.528  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.600   0.396  -1.292  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.186  -1.607  -2.234  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.437  -2.450  -0.852  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.668  -0.397  -1.173  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.921  -0.219   2.611  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.409  -1.927   2.556  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.644   0.229   2.444  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.284  -1.387   1.752  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.272   1.130   0.266  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.788   1.702   1.036  1.00  0.00           H  
HETATM   72  H   UNL     1       0.323   1.477  -0.336  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.086   2.395   0.673  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.656   3.596  -0.795  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.107   3.934  -3.171  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.990   3.067  -4.081  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.421   1.863  -2.613  1.00  0.00           H  
HETATM   78  H   UNL     1       3.276   6.603   0.525  1.00  0.00           H  
HETATM   79  H   UNL     1       2.078   5.300   0.706  1.00  0.00           H  
HETATM   80  H   UNL     1       3.313   5.553   1.962  1.00  0.00           H  
HETATM   81  H   UNL     1       4.610   0.356  -2.198  1.00  0.00           H  
HETATM   82  H   UNL     1       6.165   1.196  -1.983  1.00  0.00           H  
HETATM   83  H   UNL     1       6.888  -0.667  -3.167  1.00  0.00           H  
HETATM   84  H   UNL     1       7.031  -1.292  -1.507  1.00  0.00           H  
HETATM   85  H   UNL     1       4.713  -1.931  -3.464  1.00  0.00           H  
HETATM   86  H   UNL     1       5.861  -3.151  -0.933  1.00  0.00           H  
CONECT    1    6    6   38    2                                       
CONECT    2    1    3    3   45                                       
CONECT    3    2    2    4   40                                       
CONECT    4    3    5    5    7                                       
CONECT    5    4    4    6   46                                       
CONECT    6    1    1    5   47                                       
CONECT    7    4    8    8    9                                       
CONECT    7    9   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   15   11                                            
CONECT   11   10   12   48   49                                       
CONECT   12   11   13   50   51                                       
CONECT   13   12   14   52   53                                       
CONECT   14   13   44   54   55                                       
CONECT   15   10   16   56   57                                       
CONECT   16   15   18   17   58                                       
CONECT   17   16   59                                                 
CONECT   18   16   31   19   60                                       
CONECT   19   18   20   61                                            
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23                                                 
CONECT   23   22   30   24   62                                       
CONECT   24   23   25   63   64                                       
CONECT   25   24   26                                                 
CONECT   26   25   30   27   65                                       
CONECT   27   26   28                                                 
CONECT   28   27   29   66   67                                       
CONECT   29   28   30   68   69                                       
CONECT   30   23   26   29   70                                       
CONECT   31   18   37   71   72                                       
CONECT   32   33   33   37   73                                       
CONECT   33   32   32   34   74                                       
CONECT   34   33   35   35   75                                       
CONECT   35   34   34   36   76                                       
CONECT   36   35   37   37   77                                       
CONECT   37   31   32   36   36                                       
CONECT   38    1   39                                                 
CONECT   39   38   78   79   80                                       
CONECT   40    3   41                                                 
CONECT   41   40   42   81   82                                       
CONECT   42   41   43   83   84                                       
CONECT   43   42   44   44   85                                       
CONECT   44   14   43   43   86                                       
CONECT   45    2                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   26                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
CONECT   81   41                                                      
CONECT   82   41                                                      
CONECT   83   42                                                      
CONECT   84   42                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
