COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.976  -1.848   0.076  1.00  0.00           C  
HETATM    2  C   UNL     1       1.726  -0.703  -0.152  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.543  -0.616   0.132  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.026   1.421  -2.493  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.950   1.656  -0.984  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.362   0.401  -0.258  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.673   0.054   0.147  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.590  -1.179   0.776  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.092  -0.680  -0.082  1.00  0.00           C  
HETATM   10  C   UNL     1       5.903   0.669   1.241  1.00  0.00           C  
HETATM   11  C   UNL     1       6.996   1.674   0.873  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.889   0.848  -0.059  1.00  0.00           C  
HETATM   13  O   UNL     1      -6.597   0.633  -1.020  1.00  0.00           O  
HETATM   14  C   UNL     1      -6.257   1.930   0.923  1.00  0.00           C  
HETATM   15  C   UNL     1       2.945  -3.192  -0.235  1.00  0.00           C  
HETATM   16  C   UNL     1       3.686  -2.047  -0.462  1.00  0.00           C  
HETATM   17  C   UNL     1       1.590  -3.098   0.034  1.00  0.00           C  
HETATM   18  C   UNL     1       3.078  -0.806  -0.420  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.742  -1.943   1.375  1.00  0.00           C  
HETATM   20  C   UNL     1       4.301   3.521   1.299  1.00  0.00           C  
HETATM   21  C   UNL     1       3.827   2.091   1.569  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.307  -1.571   0.768  1.00  0.00           N  
HETATM   23  N   UNL     1      -0.393  -1.747   0.354  1.00  0.00           N  
HETATM   24  N   UNL     1       4.609   1.156   0.757  1.00  0.00           N  
HETATM   25  O   UNL     1      -0.520   0.229  -0.654  1.00  0.00           O  
HETATM   26  O   UNL     1       5.160   0.245  -1.470  1.00  0.00           O  
HETATM   27  O   UNL     1       3.115   1.646  -1.146  1.00  0.00           O  
HETATM   28  O   UNL     1       0.860  -4.223   0.257  1.00  0.00           O  
HETATM   29  S   UNL     1       4.029   0.649  -0.710  1.00  0.00           S  
HETATM   30  O   UNL     1      -7.531   2.476   0.573  1.00  0.00           O  
HETATM   31  H   UNL     1       1.254   0.267  -0.120  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.048   1.160  -2.769  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.729   2.328  -3.018  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.357   0.606  -2.769  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.928   1.916  -0.708  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.619   2.471  -0.708  1.00  0.00           H  
HETATM   37  H   UNL     1       6.124  -0.294   0.780  1.00  0.00           H  
HETATM   38  H   UNL     1       5.865   0.553   2.324  1.00  0.00           H  
HETATM   39  H   UNL     1       7.959   1.311   1.233  1.00  0.00           H  
HETATM   40  H   UNL     1       7.034   1.789  -0.211  1.00  0.00           H  
HETATM   41  H   UNL     1       6.775   2.636   1.333  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.306   1.508   1.927  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.504   2.717   0.895  1.00  0.00           H  
HETATM   44  H   UNL     1       3.423  -4.160  -0.269  1.00  0.00           H  
HETATM   45  H   UNL     1       4.743  -2.122  -0.673  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.925  -1.587   2.389  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.635  -1.789   0.769  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.499  -3.005   1.402  1.00  0.00           H  
HETATM   49  H   UNL     1       4.164   3.755   0.243  1.00  0.00           H  
HETATM   50  H   UNL     1       3.719   4.216   1.904  1.00  0.00           H  
HETATM   51  H   UNL     1       5.356   3.609   1.558  1.00  0.00           H  
HETATM   52  H   UNL     1       3.963   1.857   2.625  1.00  0.00           H  
HETATM   53  H   UNL     1       2.772   2.003   1.311  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.971  -2.399   1.144  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.838  -2.444   0.861  1.00  0.00           H  
HETATM   56  H   UNL     1       0.472  -4.606  -0.542  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.832   3.180   1.164  1.00  0.00           H  
CONECT    1    2   23   17   17                                       
CONECT    2   18   18    1   31                                       
CONECT    3   22    9    6    6                                       
CONECT    4    5   32   33   34                                       
CONECT    5    6    4   35   36                                       
CONECT    6    7    3    3    5                                       
CONECT    7    8    8   12    6                                       
CONECT    8   19   22    7    7                                       
CONECT    9   25   25    3   23                                       
CONECT   10   11   24   37   38                                       
CONECT   11   10   39   40   41                                       
CONECT   12   14    7   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   30   12   42   43                                       
CONECT   15   16   16   17   44                                       
CONECT   16   18   15   15   45                                       
CONECT   17    1    1   15   28                                       
CONECT   18   29    2    2   16                                       
CONECT   19    8   46   47   48                                       
CONECT   20   21   49   50   51                                       
CONECT   21   24   20   52   53                                       
CONECT   22    8    3   54                                            
CONECT   23    9    1   55                                            
CONECT   24   10   29   21                                            
CONECT   25    9    9                                                 
CONECT   26   29   29                                                 
CONECT   27   29   29                                                 
CONECT   28   17   56                                                 
CONECT   29   27   27   24   26                                       
CONECT   29   26   18                                                 
CONECT   30   14   57                                                 
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   28                                                      
CONECT   57   30                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
