COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.559   2.739  -0.878  1.00  0.00           C  
HETATM    2  C   UNL     1       3.460   1.827  -1.455  1.00  0.00           C  
HETATM    3  C   UNL     1       0.569  -2.140  -0.185  1.00  0.00           C  
HETATM    4  C   UNL     1       1.208  -3.357   0.037  1.00  0.00           C  
HETATM    5  C   UNL     1       1.277  -5.734   0.030  1.00  0.00           C  
HETATM    6  C   UNL     1       2.505  -3.376   0.524  1.00  0.00           C  
HETATM    7  C   UNL     1       3.162  -2.189   0.788  1.00  0.00           C  
HETATM    8  C   UNL     1       2.528  -0.980   0.567  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.589   3.184   1.531  1.00  0.00           O  
HETATM   10  C   UNL     1      -5.067   2.211   1.018  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.760   1.942   1.225  1.00  0.00           N  
HETATM   12  N   UNL     1      -3.138   0.834   0.649  1.00  0.00           N  
HETATM   13  C   UNL     1      -5.848   1.304   0.168  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.190   0.189  -0.402  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.905  -0.692  -1.216  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.243  -0.463  -1.453  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.887   0.632  -0.893  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.202   1.515  -0.087  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.769  -0.005  -0.117  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.036  -1.183  -0.708  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.596  -1.153  -0.263  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.204  -0.263   0.461  1.00  0.00           O  
HETATM   23  N   UNL     1      -0.745  -2.114  -0.672  1.00  0.00           N  
HETATM   24  C   UNL     1       1.235  -0.952   0.082  1.00  0.00           C  
HETATM   25  O   UNL     1       0.560  -4.524  -0.222  1.00  0.00           O  
HETATM   26  S   UNL     1       3.372   0.529   0.906  1.00  0.00           S  
HETATM   27  O   UNL     1       2.368   1.510   1.124  1.00  0.00           O  
HETATM   28  O   UNL     1       4.378   0.221   1.861  1.00  0.00           O  
HETATM   29  N   UNL     1       4.163   0.970  -0.481  1.00  0.00           N  
HETATM   30  C   UNL     1       5.515   0.499  -0.687  1.00  0.00           C  
HETATM   31  C   UNL     1       6.516   1.509  -0.073  1.00  0.00           C  
HETATM   32  C   UNL     1       5.238   3.502  -0.931  1.00  0.00           C  
HETATM   33  C   UNL     1       4.373   2.927  -2.025  1.00  0.00           C  
HETATM   34  H   UNL     1       7.322   3.398  -0.463  1.00  0.00           H  
HETATM   35  H   UNL     1       6.845   2.477  -1.896  1.00  0.00           H  
HETATM   36  H   UNL     1       3.099   1.207  -2.275  1.00  0.00           H  
HETATM   37  H   UNL     1       2.607   2.295  -0.963  1.00  0.00           H  
HETATM   38  H   UNL     1       0.647  -6.589  -0.219  1.00  0.00           H  
HETATM   39  H   UNL     1       2.178  -5.757  -0.583  1.00  0.00           H  
HETATM   40  H   UNL     1       1.553  -5.781   1.083  1.00  0.00           H  
HETATM   41  H   UNL     1       3.002  -4.319   0.698  1.00  0.00           H  
HETATM   42  H   UNL     1       4.173  -2.206   1.168  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.240   2.536   1.789  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.413  -1.546  -1.656  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.797  -1.144  -2.082  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.936   0.793  -1.091  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.710   2.364   0.345  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.502  -2.108  -0.368  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.082  -1.130  -1.795  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.042  -2.789  -1.302  1.00  0.00           H  
HETATM   51  H   UNL     1       0.741  -0.007  -0.086  1.00  0.00           H  
HETATM   52  H   UNL     1       5.638  -0.472  -0.207  1.00  0.00           H  
HETATM   53  H   UNL     1       5.707   0.403  -1.755  1.00  0.00           H  
HETATM   54  H   UNL     1       7.509   1.061  -0.046  1.00  0.00           H  
HETATM   55  H   UNL     1       6.205   1.753   0.943  1.00  0.00           H  
HETATM   56  H   UNL     1       4.725   3.407   0.026  1.00  0.00           H  
HETATM   57  H   UNL     1       5.434   4.554  -1.136  1.00  0.00           H  
HETATM   58  H   UNL     1       5.007   2.503  -2.803  1.00  0.00           H  
HETATM   59  H   UNL     1       3.759   3.720  -2.454  1.00  0.00           H  
CONECT    1   32   31   34   35                                       
CONECT    2   33   29   36   37                                       
CONECT    3    4    4   24   23                                       
CONECT    4    6   25    3    3                                       
CONECT    5   25   38   39   40                                       
CONECT    6    7    7    4   41                                       
CONECT    7    6    6    8   42                                       
CONECT    8    7   24   24   26                                       
CONECT    9   10   10                                                 
CONECT   10   13    9    9   11                                       
CONECT   11   10   12   43                                            
CONECT   12   19   19   11                                            
CONECT   13   18   18   14   10                                       
CONECT   14   15   15   13   19                                       
CONECT   15   16   14   14   44                                       
CONECT   16   17   17   15   45                                       
CONECT   17   16   16   18   46                                       
CONECT   18   17   13   13   47                                       
CONECT   19   14   20   12   12                                       
CONECT   20   19   21   48   49                                       
CONECT   21   22   22   23   20                                       
CONECT   22   21   21                                                 
CONECT   23   21    3   50                                            
CONECT   24    8    8    3   51                                       
CONECT   25    5    4                                                 
CONECT   26   29   27   27    8                                       
CONECT   26   28   28                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29    2   30   26                                            
CONECT   30   29   31   52   53                                       
CONECT   31    1   30   54   55                                       
CONECT   32   33    1   56   57                                       
CONECT   33   32    2   58   59                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43   11                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
