COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       8.224  -1.444   2.677  1.00  0.00           N  
HETATM    2  C   UNL     1       7.227  -0.688   2.057  1.00  0.00           C  
HETATM    3  C   UNL     1       4.940   0.023   1.923  1.00  0.00           C  
HETATM    4  C   UNL     1       6.545   0.846   0.345  1.00  0.00           C  
HETATM    5  C   UNL     1       7.534   0.100   0.955  1.00  0.00           C  
HETATM    6  O   UNL     1       4.660   2.746  -0.732  1.00  0.00           O  
HETATM    7  N   UNL     1       3.215   0.766  -1.023  1.00  0.00           N  
HETATM    8  C   UNL     1       4.170  -0.606  -2.808  1.00  0.00           C  
HETATM    9  C   UNL     1       4.449  -0.651  -4.312  1.00  0.00           C  
HETATM   10  C   UNL     1       5.472  -0.843  -2.040  1.00  0.00           C  
HETATM   11  C   UNL     1       2.142  -0.114  -0.556  1.00  0.00           C  
HETATM   12  C   UNL     1       0.790   0.569  -0.775  1.00  0.00           C  
HETATM   13  O   UNL     1       0.561   0.735  -2.175  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.598   0.131   0.583  1.00  0.00           C  
HETATM   15  O   UNL     1      -6.033   2.768  -0.150  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.425   1.885  -1.221  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.136   0.465  -0.686  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.217   0.616   0.845  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.408  -1.617  -0.940  1.00  0.00           C  
HETATM   20  C   UNL     1       5.924  -0.726   2.539  1.00  0.00           C  
HETATM   21  C   UNL     1       5.251   0.810   0.829  1.00  0.00           C  
HETATM   22  S   UNL     1       3.992   1.763   0.047  1.00  0.00           S  
HETATM   23  O   UNL     1       3.046   2.084   1.057  1.00  0.00           O  
HETATM   24  C   UNL     1       3.602   0.765  -2.436  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.321  -0.295  -0.175  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.599   0.414  -0.278  1.00  0.00           N  
HETATM   27  O   UNL     1      -2.437  -0.712   1.443  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.772   0.781   0.488  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.802   0.425   1.448  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.843   1.434   2.623  1.00  0.00           C  
HETATM   31  O   UNL     1      -5.601   2.551   2.132  1.00  0.00           O  
HETATM   32  C   UNL     1      -6.469   2.133   1.071  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.014  -3.395   0.715  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.939  -4.220   1.326  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.267  -4.173   0.943  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.669  -3.299  -0.050  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.743  -2.473  -0.660  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.417  -2.517  -0.274  1.00  0.00           C  
HETATM   39  N   UNL     1      -7.153  -0.481  -1.164  1.00  0.00           N  
HETATM   40  C   UNL     1      -6.794  -1.018  -2.483  1.00  0.00           C  
HETATM   41  H   UNL     1       8.008  -1.997   3.444  1.00  0.00           H  
HETATM   42  H   UNL     1       9.133  -1.420   2.338  1.00  0.00           H  
HETATM   43  H   UNL     1       3.928  -0.007   2.297  1.00  0.00           H  
HETATM   44  H   UNL     1       6.784   1.459  -0.512  1.00  0.00           H  
HETATM   45  H   UNL     1       8.545   0.129   0.577  1.00  0.00           H  
HETATM   46  H   UNL     1       3.449  -1.381  -2.549  1.00  0.00           H  
HETATM   47  H   UNL     1       5.171   0.124  -4.571  1.00  0.00           H  
HETATM   48  H   UNL     1       4.854  -1.628  -4.577  1.00  0.00           H  
HETATM   49  H   UNL     1       3.522  -0.482  -4.859  1.00  0.00           H  
HETATM   50  H   UNL     1       6.204  -0.087  -2.323  1.00  0.00           H  
HETATM   51  H   UNL     1       5.279  -0.779  -0.969  1.00  0.00           H  
HETATM   52  H   UNL     1       5.860  -1.833  -2.281  1.00  0.00           H  
HETATM   53  H   UNL     1       2.170  -1.050  -1.115  1.00  0.00           H  
HETATM   54  H   UNL     1       2.277  -0.321   0.506  1.00  0.00           H  
HETATM   55  H   UNL     1       0.794   1.545  -0.289  1.00  0.00           H  
HETATM   56  H   UNL     1       0.545  -0.095  -2.672  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.488   2.000  -1.437  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.833   2.084  -2.114  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.141   0.139  -0.988  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.977  -0.021   1.298  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.716  -1.423  -1.967  1.00  0.00           H  
HETATM   62  H   UNL     1       0.568  -2.102  -0.938  1.00  0.00           H  
HETATM   63  H   UNL     1       5.681  -1.341   3.392  1.00  0.00           H  
HETATM   64  H   UNL     1       2.727   0.975  -3.052  1.00  0.00           H  
HETATM   65  H   UNL     1       4.359   1.531  -2.606  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.100  -0.495   0.873  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.727   1.086  -0.965  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.663  -0.594   1.809  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.339   0.990   3.486  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.834   1.749   2.887  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.515   2.340   1.299  1.00  0.00           H  
HETATM   72  H   UNL     1       0.023  -3.432   1.014  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.625  -4.903   2.102  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.990  -4.818   1.420  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.706  -3.262  -0.350  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.057  -1.791  -1.437  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.297  -1.225  -0.498  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.714  -0.200  -3.199  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.838  -1.537  -2.416  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.563  -1.716  -2.813  1.00  0.00           H  
CONECT    1    2   41   42                                            
CONECT    2    5    1   20   20                                       
CONECT    3   21   21   20   43                                       
CONECT    4    5    5   21   44                                       
CONECT    5    4    4    2   45                                       
CONECT    6   22   22                                                 
CONECT    7   24   22   11                                            
CONECT    8   10    9   24   46                                       
CONECT    9    8   47   48   49                                       
CONECT   10    8   50   51   52                                       
CONECT   11    7   12   53   54                                       
CONECT   12   25   11   13   55                                       
CONECT   13   12   56                                                 
CONECT   14   27   27   28   26                                       
CONECT   15   32   16                                                 
CONECT   16   17   15   57   58                                       
CONECT   17   18   39   16   59                                       
CONECT   18   29   32   17   60                                       
CONECT   19   25   38   61   62                                       
CONECT   20    2    2    3   63                                       
CONECT   21   22    4    3    3                                       
CONECT   22    6    6    7   21                                       
CONECT   22   23   23                                                 
CONECT   23   22   22                                                 
CONECT   24    8    7   64   65                                       
CONECT   25   26   12   19   66                                       
CONECT   26   14   25   67                                            
CONECT   27   14   14                                                 
CONECT   28   29   14                                                 
CONECT   29   30   18   28   68                                       
CONECT   30   31   29   69   70                                       
CONECT   31   30   32                                                 
CONECT   32   31   18   15   71                                       
CONECT   33   38   38   34   72                                       
CONECT   34   35   35   33   73                                       
CONECT   35   36   34   34   74                                       
CONECT   36   37   37   35   75                                       
CONECT   37   36   36   38   76                                       
CONECT   38   37   19   33   33                                       
CONECT   39   17   40   77                                            
CONECT   40   39   78   79   80                                       
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
