COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.202  -0.689  -0.275  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.740  -0.053  -1.159  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.752  -2.000   0.132  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.891  -2.507  -0.494  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.396  -3.738  -0.112  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.777  -4.459   0.900  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.651  -3.956   1.525  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.136  -2.733   1.148  1.00  0.00           C  
HETATM    9  O   UNL     1      -6.502  -4.238  -0.724  1.00  0.00           O  
HETATM   10  N   UNL     1       1.975   2.459  -0.045  1.00  0.00           N  
HETATM   11  C   UNL     1       2.524   2.918   1.234  1.00  0.00           C  
HETATM   12  C   UNL     1       2.714   4.435   1.193  1.00  0.00           C  
HETATM   13  C   UNL     1       1.349   5.117   1.078  1.00  0.00           C  
HETATM   14  C   UNL     1       3.408   4.898   2.475  1.00  0.00           C  
HETATM   15  C   UNL     1       0.526   2.459  -0.262  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.069   1.154   0.271  1.00  0.00           C  
HETATM   17  O   UNL     1       0.101   1.097   1.688  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.561   1.099  -0.067  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.105  -0.200   0.336  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.294   2.214   0.681  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.674   1.482   0.937  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.000   1.503   0.546  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.391   2.281  -0.527  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.457   3.038  -1.209  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.131   3.016  -0.819  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.740   2.238   0.255  1.00  0.00           C  
HETATM   27  C   UNL     1       5.716  -4.927   1.018  1.00  0.00           C  
HETATM   28  N   UNL     1       4.763  -5.472   0.314  1.00  0.00           N  
HETATM   29  O   UNL     1       4.073  -4.643  -0.232  1.00  0.00           O  
HETATM   30  S   UNL     1       4.487  -0.524  -0.043  1.00  0.00           S  
HETATM   31  C   UNL     1       3.904  -2.136  -0.436  1.00  0.00           C  
HETATM   32  C   UNL     1       4.492  -3.394   0.047  1.00  0.00           C  
HETATM   33  C   UNL     1       5.579  -3.534   0.872  1.00  0.00           C  
HETATM   34  C   UNL     1       3.222   0.208  -1.020  1.00  0.00           C  
HETATM   35  C   UNL     1       2.460  -0.744  -1.568  1.00  0.00           C  
HETATM   36  C   UNL     1       2.822  -2.036  -1.257  1.00  0.00           C  
HETATM   37  S   UNL     1       2.992   1.941  -1.244  1.00  0.00           S  
HETATM   38  O   UNL     1       4.252   2.548  -0.993  1.00  0.00           O  
HETATM   39  O   UNL     1       2.284   2.097  -2.466  1.00  0.00           O  
HETATM   40  H   UNL     1      -5.375  -1.942  -1.277  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.176  -5.417   1.199  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.174  -4.522   2.311  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.256  -2.343   1.638  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.334  -3.983  -0.303  1.00  0.00           H  
HETATM   45  H   UNL     1       1.836   2.659   2.039  1.00  0.00           H  
HETATM   46  H   UNL     1       3.486   2.436   1.410  1.00  0.00           H  
HETATM   47  H   UNL     1       3.327   4.702   0.331  1.00  0.00           H  
HETATM   48  H   UNL     1       0.691   4.748   1.865  1.00  0.00           H  
HETATM   49  H   UNL     1       1.471   6.195   1.181  1.00  0.00           H  
HETATM   50  H   UNL     1       0.912   4.893   0.105  1.00  0.00           H  
HETATM   51  H   UNL     1       4.381   4.412   2.557  1.00  0.00           H  
HETATM   52  H   UNL     1       3.543   5.979   2.446  1.00  0.00           H  
HETATM   53  H   UNL     1       2.796   4.631   3.336  1.00  0.00           H  
HETATM   54  H   UNL     1       0.080   3.303   0.264  1.00  0.00           H  
HETATM   55  H   UNL     1       0.319   2.545  -1.328  1.00  0.00           H  
HETATM   56  H   UNL     1       0.439   0.308  -0.191  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.327   1.821   2.165  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.695   1.232  -1.141  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.676  -0.707   1.042  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.235   2.032   1.754  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.831   3.173   0.449  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.369   0.877   1.778  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.729   0.912   1.079  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.427   2.297  -0.834  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.762   3.646  -2.049  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.401   3.607  -1.352  1.00  0.00           H  
HETATM   67  H   UNL     1       6.462  -5.445   1.602  1.00  0.00           H  
HETATM   68  H   UNL     1       6.188  -2.756   1.309  1.00  0.00           H  
HETATM   69  H   UNL     1       1.621  -0.517  -2.209  1.00  0.00           H  
HETATM   70  H   UNL     1       2.291  -2.899  -1.632  1.00  0.00           H  
CONECT    1   19    3    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    1    8    8    4                                       
CONECT    4    3    5    5   40                                       
CONECT    5    6    4    4    9                                       
CONECT    6    7    7    5   41                                       
CONECT    7    8    6    6   42                                       
CONECT    8    3    3    7   43                                       
CONECT    9    5   44                                                 
CONECT   10   37   11   15                                            
CONECT   11   10   12   45   46                                       
CONECT   12   11   13   14   47                                       
CONECT   13   12   48   49   50                                       
CONECT   14   12   51   52   53                                       
CONECT   15   10   16   54   55                                       
CONECT   16   15   17   18   56                                       
CONECT   17   16   57                                                 
CONECT   18   16   19   20   58                                       
CONECT   19   18    1   59                                            
CONECT   20   18   26   60   61                                       
CONECT   21   22   22   26   62                                       
CONECT   22   21   21   23   63                                       
CONECT   23   22   24   24   64                                       
CONECT   24   23   23   25   65                                       
CONECT   25   24   26   26   66                                       
CONECT   26   20   21   25   25                                       
CONECT   27   28   28   33   67                                       
CONECT   28   27   27   29                                            
CONECT   29   28   32                                                 
CONECT   30   31   34                                                 
CONECT   31   30   32   36   36                                       
CONECT   32   29   31   33   33                                       
CONECT   33   27   32   32   68                                       
CONECT   34   30   35   35   37                                       
CONECT   35   34   34   36   69                                       
CONECT   36   31   31   35   70                                       
CONECT   37   34   38   38   39                                       
CONECT   37   39   10                                                 
CONECT   38   37   37                                                 
CONECT   39   37   37                                                 
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   27                                                      
CONECT   68   33                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
