COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.408   0.833  -1.278  1.00  0.00           N  
HETATM    2  S   UNL     1       0.004   1.832  -0.005  1.00  0.00           S  
HETATM    3  N   UNL     1       0.424   0.843   1.273  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.330  -0.364   1.512  1.00  0.00           C  
HETATM    5  C   UNL     1       0.232  -1.537   0.710  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.201  -1.542  -0.701  1.00  0.00           C  
HETATM    7  C   UNL     1       0.354  -0.373  -1.512  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.535   1.175  -2.149  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.779   0.482  -1.657  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.490   1.010  -0.596  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.632   0.374  -0.145  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.062  -0.788  -0.755  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.352  -1.316  -1.817  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.212  -0.678  -2.271  1.00  0.00           C  
HETATM   15  O   UNL     1       1.203   2.486  -0.399  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.903   0.329   3.755  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.796  -0.016   5.065  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.387   0.772   6.041  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.277   0.419   7.372  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.579  -0.718   7.732  1.00  0.00           C  
HETATM   21  C   UNL     1       0.010  -1.506   6.760  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.101  -1.160   5.427  1.00  0.00           C  
HETATM   23  C   UNL     1       1.548   1.198   2.143  1.00  0.00           C  
HETATM   24  C   UNL     1       2.796   0.505   1.660  1.00  0.00           C  
HETATM   25  C   UNL     1       3.510   1.028   0.598  1.00  0.00           C  
HETATM   26  C   UNL     1       4.654   0.392   0.155  1.00  0.00           C  
HETATM   27  C   UNL     1       5.086  -0.765   0.774  1.00  0.00           C  
HETATM   28  C   UNL     1       4.373  -1.287   1.837  1.00  0.00           C  
HETATM   29  C   UNL     1       3.230  -0.649   2.283  1.00  0.00           C  
HETATM   30  O   UNL     1       1.659  -1.476   0.750  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.628  -1.487  -0.742  1.00  0.00           O  
HETATM   32  C   UNL     1       0.294  -0.721  -3.001  1.00  0.00           C  
HETATM   33  O   UNL     1       0.812   0.367  -3.766  1.00  0.00           O  
HETATM   34  C   UNL     1       0.734   0.002  -5.073  1.00  0.00           C  
HETATM   35  C   UNL     1       1.170   0.869  -6.064  1.00  0.00           C  
HETATM   36  C   UNL     1       1.090   0.494  -7.392  1.00  0.00           C  
HETATM   37  C   UNL     1       0.575  -0.742  -7.732  1.00  0.00           C  
HETATM   38  C   UNL     1       0.140  -1.608  -6.746  1.00  0.00           C  
HETATM   39  C   UNL     1       0.224  -1.241  -5.417  1.00  0.00           C  
HETATM   40  O   UNL     1      -1.197   2.482   0.383  1.00  0.00           O  
HETATM   41  C   UNL     1      -0.270  -0.707   3.001  1.00  0.00           C  
HETATM   42  H   UNL     1      -1.368  -0.200   1.224  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.090  -2.467   1.178  1.00  0.00           H  
HETATM   44  H   UNL     1       0.125  -2.474  -1.163  1.00  0.00           H  
HETATM   45  H   UNL     1       1.392  -0.201  -1.227  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.690   2.254  -2.136  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.317   0.852  -3.168  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.154   1.919  -0.120  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.187   0.786   0.684  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.954  -1.285  -0.402  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.688  -2.225  -2.293  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.657  -1.090  -3.100  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.932   1.661   5.761  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.736   1.033   8.133  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.494  -0.992   8.773  1.00  0.00           H  
HETATM   56  H   UNL     1       0.556  -2.394   7.043  1.00  0.00           H  
HETATM   57  H   UNL     1       0.359  -1.776   4.669  1.00  0.00           H  
HETATM   58  H   UNL     1       1.699   2.277   2.119  1.00  0.00           H  
HETATM   59  H   UNL     1       1.330   0.884   3.164  1.00  0.00           H  
HETATM   60  H   UNL     1       3.173   1.933   0.114  1.00  0.00           H  
HETATM   61  H   UNL     1       5.212   0.800  -0.674  1.00  0.00           H  
HETATM   62  H   UNL     1       5.980  -1.262   0.428  1.00  0.00           H  
HETATM   63  H   UNL     1       4.709  -2.192   2.321  1.00  0.00           H  
HETATM   64  H   UNL     1       2.673  -1.057   3.113  1.00  0.00           H  
HETATM   65  H   UNL     1       1.985  -2.244   0.262  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.951  -2.270  -0.274  1.00  0.00           H  
HETATM   67  H   UNL     1       0.891  -1.614  -3.189  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.739  -0.909  -3.289  1.00  0.00           H  
HETATM   69  H   UNL     1       1.572   1.835  -5.799  1.00  0.00           H  
HETATM   70  H   UNL     1       1.429   1.169  -8.164  1.00  0.00           H  
HETATM   71  H   UNL     1       0.513  -1.033  -8.771  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.261  -2.573  -7.015  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.115  -1.917  -4.647  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.786  -1.651   3.178  1.00  0.00           H  
HETATM   75  H   UNL     1       0.770  -0.798   3.312  1.00  0.00           H  
CONECT    1    2    7    8                                            
CONECT    2    1    3   15   15                                       
CONECT    2   40   40                                                 
CONECT    3    2    4   23                                            
CONECT    4    3    5   41   42                                       
CONECT    5    4    6   30   43                                       
CONECT    6    5    7   31   44                                       
CONECT    7    1    6   32   45                                       
CONECT    8    1    9   46   47                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9   11   48                                       
CONECT   11   10   12   12   49                                       
CONECT   12   11   11   13   50                                       
CONECT   13   12   14   14   51                                       
CONECT   14    9   13   13   52                                       
CONECT   15    2    2                                                 
CONECT   16   17   41                                                 
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   53                                       
CONECT   19   18   20   20   54                                       
CONECT   20   19   19   21   55                                       
CONECT   21   20   22   22   56                                       
CONECT   22   17   21   21   57                                       
CONECT   23    3   24   58   59                                       
CONECT   24   23   25   25   29                                       
CONECT   25   24   24   26   60                                       
CONECT   26   25   27   27   61                                       
CONECT   27   26   26   28   62                                       
CONECT   28   27   29   29   63                                       
CONECT   29   24   28   28   64                                       
CONECT   30    5   65                                                 
CONECT   31    6   66                                                 
CONECT   32    7   33   67   68                                       
CONECT   33   32   34                                                 
CONECT   34   33   35   35   39                                       
CONECT   35   34   34   36   69                                       
CONECT   36   35   37   37   70                                       
CONECT   37   36   36   38   71                                       
CONECT   38   37   39   39   72                                       
CONECT   39   34   38   38   73                                       
CONECT   40    2    2                                                 
CONECT   41    4   16   74   75                                       
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   39                                                      
CONECT   74   41                                                      
CONECT   75   41                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
