COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       6.113   2.359   0.402  1.00  0.00           C  
HETATM    2  C   UNL     1       4.938   2.895  -0.316  1.00  0.00           C  
HETATM    3  C   UNL     1       3.744   2.150  -0.407  1.00  0.00           C  
HETATM    4  C   UNL     1       2.651   2.689  -1.095  1.00  0.00           C  
HETATM    5  C   UNL     1       1.512   1.785  -1.085  1.00  0.00           C  
HETATM    6  C   UNL     1       1.710   0.648  -0.446  1.00  0.00           C  
HETATM    7  C   UNL     1       0.675  -0.438  -0.307  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.052  -0.274   1.003  1.00  0.00           C  
HETATM    9  C   UNL     1       0.530  -0.719   2.176  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.133  -0.571   3.380  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.380   0.022   3.415  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.968   0.469   2.239  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.078   0.913   1.234  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.393   1.648   1.217  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.157   1.298  -0.061  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.492   2.045  -0.078  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.605   2.213  -1.250  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.527   2.216  -2.493  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.296   0.324   1.032  1.00  0.00           C  
HETATM   20  C   UNL     1       1.440  -2.269  -1.651  1.00  0.00           C  
HETATM   21  C   UNL     1       3.857   4.619  -1.580  1.00  0.00           C  
HETATM   22  C   UNL     1       4.980   4.154  -0.917  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.231   1.069   2.271  1.00  0.00           N  
HETATM   24  N   UNL     1      -8.226   1.708  -1.305  1.00  0.00           N  
HETATM   25  N   UNL     1       2.761   3.905  -1.654  1.00  0.00           N  
HETATM   26  O   UNL     1       6.058   1.263   0.924  1.00  0.00           O  
HETATM   27  O   UNL     1       7.247   3.083   0.474  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.781   0.180   0.314  1.00  0.00           O  
HETATM   29  O   UNL     1       1.316  -1.714  -0.340  1.00  0.00           O  
HETATM   30  S   UNL     1       3.329   0.561   0.220  1.00  0.00           S  
HETATM   31  H   UNL     1       0.575   2.027  -1.565  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.038  -0.368  -1.129  1.00  0.00           H  
HETATM   33  H   UNL     1       1.505  -1.183   2.152  1.00  0.00           H  
HETATM   34  H   UNL     1       0.325  -0.919   4.295  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.898   0.136   4.356  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.984   1.356   2.085  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.209   2.722   1.247  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.567   1.590  -0.929  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.341   0.224  -0.092  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.083   1.752   0.790  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.309   3.118  -0.048  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.590   3.297  -1.138  1.00  0.00           H  
HETATM   43  H   UNL     1     -10.125   1.950  -2.171  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.121   1.767  -0.400  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.533   1.771  -2.547  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.092   1.953  -3.388  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.437   3.300  -2.426  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.748   0.675   0.116  1.00  0.00           H  
HETATM   49  H   UNL     1       0.449  -2.396  -2.086  1.00  0.00           H  
HETATM   50  H   UNL     1       2.028  -1.597  -2.275  1.00  0.00           H  
HETATM   51  H   UNL     1       3.886   5.593  -2.046  1.00  0.00           H  
HETATM   52  H   UNL     1       5.875   4.756  -0.865  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.498   1.597   3.039  1.00  0.00           H  
HETATM   54  H   UNL     1       7.990   2.689   0.951  1.00  0.00           H  
HETATM   55  C   UNL     1       2.138  -3.628  -1.566  1.00  0.00           C  
HETATM   56  N   UNL     1       1.314  -4.553  -0.775  1.00  0.00           N  
HETATM   57  C   UNL     1       1.909  -5.895  -0.747  1.00  0.00           C  
HETATM   58  C   UNL     1       1.106  -6.791   0.199  1.00  0.00           C  
HETATM   59  C   UNL     1      -0.345  -6.865  -0.284  1.00  0.00           C  
HETATM   60  C   UNL     1      -0.926  -5.450  -0.351  1.00  0.00           C  
HETATM   61  C   UNL     1      -0.064  -4.594  -1.282  1.00  0.00           C  
HETATM   62  H   UNL     1       2.274  -4.030  -2.569  1.00  0.00           H  
HETATM   63  H   UNL     1       3.110  -3.508  -1.087  1.00  0.00           H  
HETATM   64  H   UNL     1       1.893  -6.321  -1.750  1.00  0.00           H  
HETATM   65  H   UNL     1       2.939  -5.828  -0.397  1.00  0.00           H  
HETATM   66  H   UNL     1       1.539  -7.791   0.208  1.00  0.00           H  
HETATM   67  H   UNL     1       1.133  -6.373   1.206  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.375  -7.319  -1.275  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.930  -7.467   0.411  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.945  -5.493  -0.735  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.931  -5.011   0.647  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.467  -3.582  -1.320  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.071  -5.025  -2.282  1.00  0.00           H  
CONECT    1    2   26   26   27                                       
CONECT    2    3    3   22    1                                       
CONECT    3    4   30    2    2                                       
CONECT    4    5   25   25    3                                       
CONECT    5    6    6    4   31                                       
CONECT    6    5    5    7   30                                       
CONECT    7   29    6    8   32                                       
CONECT    8    7   19   19    9                                       
CONECT    9    8   10   10   33                                       
CONECT   10    9    9   11   34                                       
CONECT   11   12   12   10   35                                       
CONECT   12   19   23   11   11                                       
CONECT   13   28   28   14   23                                       
CONECT   14   13   15   36   37                                       
CONECT   15   14   16   38   39                                       
CONECT   16   15   24   40   41                                       
CONECT   17   24   42   43   44                                       
CONECT   18   24   45   46   47                                       
CONECT   19    8    8   12   48                                       
CONECT   20   29   49   50   55                                       
CONECT   21   25   22   22   51                                       
CONECT   22   21   21    2   52                                       
CONECT   23   13   12   53                                            
CONECT   24   16   17   18                                            
CONECT   25    4    4   21                                            
CONECT   26    1    1                                                 
CONECT   27    1   54                                                 
CONECT   28   13   13                                                 
CONECT   29   20    7                                                 
CONECT   30    6    3                                                 
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   27                                                      
CONECT   55   20   56   62   63                                       
CONECT   56   55   57   61                                            
CONECT   57   56   58   64   65                                       
CONECT   58   57   59   66   67                                       
CONECT   59   58   60   68   69                                       
CONECT   60   59   61   70   71                                       
CONECT   61   60   56   72   73                                       
CONECT   62   55                                                      
CONECT   63   55                                                      
CONECT   64   57                                                      
CONECT   65   57                                                      
CONECT   66   58                                                      
CONECT   67   58                                                      
CONECT   68   59                                                      
CONECT   69   59                                                      
CONECT   70   60                                                      
CONECT   71   60                                                      
CONECT   72   61                                                      
CONECT   73   61                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
