COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.282  -0.709   0.006  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.344  -2.043   1.718  1.00  0.00           N  
HETATM    3  O   UNL     1       0.632  -1.420  -1.737  1.00  0.00           O  
HETATM    4  S   UNL     1       5.308   2.607   0.481  1.00  0.00           S  
HETATM    5  C   UNL     1      -3.386  -1.451   1.189  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.131  -1.990   1.154  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.944  -1.222  -0.017  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.039  -0.586  -0.609  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.040  -2.747   1.739  1.00  0.00           C  
HETATM   10  C   UNL     1       1.223  -2.371   1.872  1.00  0.00           C  
HETATM   11  C   UNL     1       1.812  -1.106   1.468  1.00  0.00           C  
HETATM   12  C   UNL     1       1.458  -0.491   0.249  1.00  0.00           C  
HETATM   13  C   UNL     1       0.400  -1.072  -0.593  1.00  0.00           C  
HETATM   14  C   UNL     1       2.760  -0.483   2.298  1.00  0.00           C  
HETATM   15  C   UNL     1       3.353   0.680   1.910  1.00  0.00           C  
HETATM   16  C   UNL     1       3.035   1.271   0.686  1.00  0.00           C  
HETATM   17  C   UNL     1       2.093   0.689  -0.145  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.482  -0.068  -0.587  1.00  0.00           C  
HETATM   19  C   UNL     1       6.360   1.866  -1.898  1.00  0.00           C  
HETATM   20  N   UNL     1       6.022   1.498  -0.521  1.00  0.00           N  
HETATM   21  C   UNL     1       6.316   0.150  -0.030  1.00  0.00           C  
HETATM   22  O   UNL     1       5.605   2.198   1.809  1.00  0.00           O  
HETATM   23  O   UNL     1       5.648   3.888  -0.032  1.00  0.00           O  
HETATM   24  N   UNL     1       3.670   2.450   0.298  1.00  0.00           N  
HETATM   25  C   UNL     1       5.170  -0.791  -0.407  1.00  0.00           C  
HETATM   26  C   UNL     1       5.416  -2.170   0.212  1.00  0.00           C  
HETATM   27  O   UNL     1       4.400  -3.073  -0.235  1.00  0.00           O  
HETATM   28  C   UNL     1       4.336  -3.202  -1.659  1.00  0.00           C  
HETATM   29  C   UNL     1       4.090  -1.823  -2.278  1.00  0.00           C  
HETATM   30  O   UNL     1       5.105  -0.920  -1.830  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.752  -0.117  -0.090  1.00  0.00           C  
HETATM   32  N   UNL     1      -6.543   0.590  -0.921  1.00  0.00           N  
HETATM   33  N   UNL     1      -5.750   1.091  -1.960  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.516   0.707  -1.763  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.985   0.799  -0.765  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.232   1.991   0.163  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.738   2.167   0.371  1.00  0.00           C  
HETATM   38  N   UNL     1     -10.297   0.942   0.959  1.00  0.00           N  
HETATM   39  C   UNL     1     -10.114  -0.208   0.064  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.620  -0.454  -0.153  1.00  0.00           C  
HETATM   41  H   UNL     1      -4.346  -1.536   1.676  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.924  -0.015  -1.518  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.286  -3.731   2.109  1.00  0.00           H  
HETATM   44  H   UNL     1       1.889  -3.084   2.334  1.00  0.00           H  
HETATM   45  H   UNL     1       3.019  -0.928   3.247  1.00  0.00           H  
HETATM   46  H   UNL     1       4.077   1.152   2.558  1.00  0.00           H  
HETATM   47  H   UNL     1       1.849   1.146  -1.092  1.00  0.00           H  
HETATM   48  H   UNL     1       7.370   2.273  -1.929  1.00  0.00           H  
HETATM   49  H   UNL     1       6.304   0.983  -2.534  1.00  0.00           H  
HETATM   50  H   UNL     1       5.655   2.617  -2.257  1.00  0.00           H  
HETATM   51  H   UNL     1       7.242  -0.207  -0.481  1.00  0.00           H  
HETATM   52  H   UNL     1       6.425   0.174   1.054  1.00  0.00           H  
HETATM   53  H   UNL     1       3.152   3.178  -0.080  1.00  0.00           H  
HETATM   54  H   UNL     1       4.229  -0.387  -0.034  1.00  0.00           H  
HETATM   55  H   UNL     1       6.393  -2.539  -0.097  1.00  0.00           H  
HETATM   56  H   UNL     1       5.381  -2.093   1.299  1.00  0.00           H  
HETATM   57  H   UNL     1       5.277  -3.606  -2.031  1.00  0.00           H  
HETATM   58  H   UNL     1       3.519  -3.873  -1.927  1.00  0.00           H  
HETATM   59  H   UNL     1       4.124  -1.900  -3.365  1.00  0.00           H  
HETATM   60  H   UNL     1       3.112  -1.454  -1.969  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.066  -0.629   0.808  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.671   0.940  -2.394  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.432   0.996  -1.739  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.750   1.811   1.124  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.819   2.894  -0.287  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.916   3.006   1.043  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.217   2.361  -0.588  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.897   0.761   1.867  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.566  -1.092   0.513  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.592  -0.002  -0.894  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.484  -1.297  -0.830  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.144  -0.673   0.803  1.00  0.00           H  
CONECT    1    5    5    8   18                                       
CONECT    2    5    6    6                                            
CONECT    3   13   13                                                 
CONECT    4   20   22   22   23                                       
CONECT    4   23   24                                                 
CONECT    5    1    1    2   41                                       
CONECT    6    2    2    7    9                                       
CONECT    7    6    8    8   13                                       
CONECT    8    1    7    7   42                                       
CONECT    9    6   10   10   43                                       
CONECT   10    9    9   11   44                                       
CONECT   11   10   12   12   14                                       
CONECT   12   11   11   13   17                                       
CONECT   13    3    3    7   12                                       
CONECT   14   11   15   15   45                                       
CONECT   15   14   14   16   46                                       
CONECT   16   15   17   17   24                                       
CONECT   17   12   16   16   47                                       
CONECT   18    1   31   31   34                                       
CONECT   19   20   48   49   50                                       
CONECT   20    4   19   21                                            
CONECT   21   20   25   51   52                                       
CONECT   22    4    4                                                 
CONECT   23    4    4                                                 
CONECT   24    4   16   53                                            
CONECT   25   21   26   30   54                                       
CONECT   26   25   27   55   56                                       
CONECT   27   26   28                                                 
CONECT   28   27   29   57   58                                       
CONECT   29   28   30   59   60                                       
CONECT   30   25   29                                                 
CONECT   31   18   18   32   61                                       
CONECT   32   31   33   35                                            
CONECT   33   32   34   34                                            
CONECT   34   18   33   33   62                                       
CONECT   35   32   36   40   63                                       
CONECT   36   35   37   64   65                                       
CONECT   37   36   38   66   67                                       
CONECT   38   37   39   68                                            
CONECT   39   38   40   69   70                                       
CONECT   40   35   39   71   72                                       
CONECT   41    5                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   17                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   31                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
CONECT   68   38                                                      
CONECT   69   39                                                      
CONECT   70   39                                                      
CONECT   71   40                                                      
CONECT   72   40                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
