COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.724   2.849   4.255  1.00  0.00           C  
HETATM    2  C   UNL     1       2.670   3.579   2.911  1.00  0.00           C  
HETATM    3  C   UNL     1       3.553   2.868   1.918  1.00  0.00           C  
HETATM    4  C   UNL     1       4.829   3.167   1.624  1.00  0.00           C  
HETATM    5  N   UNL     1       5.301   2.315   0.645  1.00  0.00           N  
HETATM    6  C   UNL     1       6.584   2.540  -0.052  1.00  0.00           C  
HETATM    7  C   UNL     1       6.372   2.430  -1.570  1.00  0.00           C  
HETATM    8  S   UNL     1       6.305   0.702  -2.098  1.00  0.00           S  
HETATM    9  O   UNL     1       7.621   0.178  -2.212  1.00  0.00           O  
HETATM   10  O   UNL     1       5.377   0.557  -3.164  1.00  0.00           O  
HETATM   11  N   UNL     1       5.644  -0.182  -0.890  1.00  0.00           N  
HETATM   12  C   UNL     1       6.352  -1.358  -0.376  1.00  0.00           C  
HETATM   13  C   UNL     1       4.407   0.180  -0.344  1.00  0.00           C  
HETATM   14  C   UNL     1       3.265  -0.558  -0.526  1.00  0.00           C  
HETATM   15  C   UNL     1       2.060  -0.153   0.072  1.00  0.00           C  
HETATM   16  C   UNL     1       2.023   0.977   0.885  1.00  0.00           C  
HETATM   17  C   UNL     1       3.185   1.715   1.092  1.00  0.00           C  
HETATM   18  C   UNL     1       4.364   1.364   0.418  1.00  0.00           C  
HETATM   19  C   UNL     1       0.826  -0.929  -0.163  1.00  0.00           C  
HETATM   20  O   UNL     1       0.854  -1.916  -0.872  1.00  0.00           O  
HETATM   21  N   UNL     1      -0.332  -0.543   0.409  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.556  -1.313   0.176  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.624  -2.476   1.168  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.493  -3.434   0.897  1.00  0.00           C  
HETATM   25  C   UNL     1       0.723  -3.266   1.533  1.00  0.00           C  
HETATM   26  C   UNL     1       1.761  -4.144   1.284  1.00  0.00           C  
HETATM   27  C   UNL     1       1.582  -5.192   0.400  1.00  0.00           C  
HETATM   28  C   UNL     1       0.366  -5.361  -0.236  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.673  -4.485   0.016  1.00  0.00           C  
HETATM   30  O   UNL     1      -9.422   2.303  -2.316  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.774  -0.407   0.369  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.531   3.190  -2.164  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.844   0.012   1.734  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.045  -1.176   0.005  1.00  0.00           C  
HETATM   35  N   UNL     1      -5.201  -0.272   0.075  1.00  0.00           N  
HETATM   36  C   UNL     1      -6.443  -0.977  -0.269  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.604  -0.020  -0.186  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.980   0.706  -1.299  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.050   1.587  -1.222  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.738   1.735  -0.028  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.358   1.007   1.083  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.295   0.126   1.003  1.00  0.00           C  
HETATM   43  H   UNL     1      -0.355   0.244   0.975  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.552  -1.703  -0.842  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.539  -2.092   2.184  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.575  -2.996   1.054  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.954  -1.571  -1.007  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.185  -1.999   0.706  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.928  -0.716   2.365  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.270   0.158   0.986  1.00  0.00           H  
HETATM   51  H   UNL     1       3.292  -1.452  -1.130  1.00  0.00           H  
HETATM   52  H   UNL     1       1.098   1.279   1.352  1.00  0.00           H  
HETATM   53  H   UNL     1       0.862  -2.447   2.223  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.624  -4.619  -0.477  1.00  0.00           H  
HETATM   55  H   UNL     1       2.711  -4.012   1.780  1.00  0.00           H  
HETATM   56  H   UNL     1       2.393  -5.878   0.205  1.00  0.00           H  
HETATM   57  H   UNL     1       0.227  -6.179  -0.927  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.368  -1.371  -1.283  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.599  -1.799   0.430  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.442   0.589  -2.228  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.002  -0.446   1.870  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.571   2.421   0.035  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.894   1.122   2.013  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.414   2.621  -1.872  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.304   3.928  -1.395  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.722   3.698  -3.109  1.00  0.00           H  
HETATM   67  H   UNL     1       5.402   3.957   2.086  1.00  0.00           H  
HETATM   68  H   UNL     1       6.959   3.534   0.191  1.00  0.00           H  
HETATM   69  H   UNL     1       7.307   1.790   0.269  1.00  0.00           H  
HETATM   70  H   UNL     1       1.644   3.588   2.544  1.00  0.00           H  
HETATM   71  H   UNL     1       3.020   4.603   3.040  1.00  0.00           H  
HETATM   72  H   UNL     1       7.290  -1.482  -0.917  1.00  0.00           H  
HETATM   73  H   UNL     1       6.559  -1.222   0.685  1.00  0.00           H  
HETATM   74  H   UNL     1       5.732  -2.244  -0.515  1.00  0.00           H  
HETATM   75  H   UNL     1       5.437   2.922  -1.837  1.00  0.00           H  
HETATM   76  H   UNL     1       7.196   2.927  -2.082  1.00  0.00           H  
HETATM   77  H   UNL     1       2.375   1.825   4.126  1.00  0.00           H  
HETATM   78  H   UNL     1       3.751   2.840   4.622  1.00  0.00           H  
HETATM   79  H   UNL     1       2.086   3.364   4.973  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.681   0.468  -0.275  1.00  0.00           H  
CONECT    1    2   77   78   79                                       
CONECT    2    3    1   70   71                                       
CONECT    3   17    4    4    2                                       
CONECT    4    5    3    3   67                                       
CONECT    5   18    4    6                                            
CONECT    6    5    7   68   69                                       
CONECT    7    8    6   75   76                                       
CONECT    8   11    7   10   10                                       
CONECT    8    9    9                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11   13    8   12                                            
CONECT   12   11   72   73   74                                       
CONECT   13   14   18   18   11                                       
CONECT   14   15   15   13   51                                       
CONECT   15   19   14   14   16                                       
CONECT   16   15   17   17   52                                       
CONECT   17   18   16   16    3                                       
CONECT   18   13   13   17    5                                       
CONECT   19   21   20   20   15                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   43                                            
CONECT   22   21   31   23   44                                       
CONECT   23   22   24   45   46                                       
CONECT   24   23   25   29   29                                       
CONECT   25   24   26   26   53                                       
CONECT   26   25   25   27   55                                       
CONECT   27   26   28   28   56                                       
CONECT   28   27   27   29   57                                       
CONECT   29   24   24   28   54                                       
CONECT   30   39   32                                                 
CONECT   31   22   34   33   80                                       
CONECT   32   30   64   65   66                                       
CONECT   33   31   49                                                 
CONECT   34   31   35   47   48                                       
CONECT   35   34   36   50                                            
CONECT   36   35   37   58   59                                       
CONECT   37   36   38   38   42                                       
CONECT   38   37   37   39   60                                       
CONECT   39   38   40   40   30                                       
CONECT   40   39   39   41   62                                       
CONECT   41   40   42   42   63                                       
CONECT   42   37   41   41   61                                       
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   34                                                      
CONECT   48   34                                                      
CONECT   49   33                                                      
CONECT   50   35                                                      
CONECT   51   14                                                      
CONECT   52   16                                                      
CONECT   53   25                                                      
CONECT   54   29                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   36                                                      
CONECT   59   36                                                      
CONECT   60   38                                                      
CONECT   61   42                                                      
CONECT   62   40                                                      
CONECT   63   41                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67    4                                                      
CONECT   68    6                                                      
CONECT   69    6                                                      
CONECT   70    2                                                      
CONECT   71    2                                                      
CONECT   72   12                                                      
CONECT   73   12                                                      
CONECT   74   12                                                      
CONECT   75    7                                                      
CONECT   76    7                                                      
CONECT   77    1                                                      
CONECT   78    1                                                      
CONECT   79    1                                                      
CONECT   80   31                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
