COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.290   0.540   1.579  1.00  0.00           C  
HETATM    2  C   UNL     1       2.162  -1.717   1.873  1.00  0.00           C  
HETATM    3  C   UNL     1       1.447  -2.635   0.916  1.00  0.00           C  
HETATM    4  C   UNL     1       2.034  -3.359  -0.038  1.00  0.00           C  
HETATM    5  C   UNL     1       1.172  -4.132  -0.797  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.115  -4.034  -0.460  1.00  0.00           C  
HETATM    7  C   UNL     1       3.352  -0.021   0.407  1.00  0.00           C  
HETATM    8  C   UNL     1       2.971  -0.344  -1.039  1.00  0.00           C  
HETATM    9  C   UNL     1       4.131   0.023  -1.966  1.00  0.00           C  
HETATM   10  C   UNL     1       1.322   1.865   0.931  1.00  0.00           C  
HETATM   11  C   UNL     1       0.227   2.307   0.176  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.945   2.035  -0.746  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.065   1.028  -0.788  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.057   1.057   0.175  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.084   0.133   0.137  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.165   0.164   1.186  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.120  -0.820  -0.865  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.128  -0.849  -1.827  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.103   0.079  -1.792  1.00  0.00           C  
HETATM   20  C   UNL     1       0.268   3.554  -0.428  1.00  0.00           C  
HETATM   21  C   UNL     1       1.383   4.356  -0.287  1.00  0.00           C  
HETATM   22  C   UNL     1       2.468   3.922   0.458  1.00  0.00           C  
HETATM   23  C   UNL     1       2.442   2.688   1.071  1.00  0.00           C  
HETATM   24  N   UNL     1       2.240  -0.373   1.295  1.00  0.00           N  
HETATM   25  N   UNL     1       3.766  -0.286  -3.355  1.00  0.00           N  
HETATM   26  O   UNL     1       0.409   0.273   2.374  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.868   1.518   0.038  1.00  0.00           O  
HETATM   28  S   UNL     1      -0.288  -2.921   0.891  1.00  0.00           S  
HETATM   29  H   UNL     1       1.614  -1.675   2.815  1.00  0.00           H  
HETATM   30  H   UNL     1       3.169  -2.093   2.055  1.00  0.00           H  
HETATM   31  H   UNL     1       3.101  -3.344  -0.205  1.00  0.00           H  
HETATM   32  H   UNL     1       1.515  -4.762  -1.604  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.926  -4.561  -0.940  1.00  0.00           H  
HETATM   34  H   UNL     1       4.235  -0.595   0.687  1.00  0.00           H  
HETATM   35  H   UNL     1       3.566   1.044   0.498  1.00  0.00           H  
HETATM   36  H   UNL     1       2.757  -1.409  -1.129  1.00  0.00           H  
HETATM   37  H   UNL     1       2.087   0.230  -1.319  1.00  0.00           H  
HETATM   38  H   UNL     1       4.345   1.088  -1.875  1.00  0.00           H  
HETATM   39  H   UNL     1       5.015  -0.550  -1.686  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.595   2.232  -1.760  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.306   2.962  -0.300  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.029   1.801   0.957  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.977   0.809   0.852  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.545  -0.845   1.347  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.754   0.550   2.119  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.923  -1.542  -0.895  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.156  -1.593  -2.609  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.331   0.059  -2.546  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.573   3.899  -1.011  1.00  0.00           H  
HETATM   50  H   UNL     1       1.411   5.326  -0.759  1.00  0.00           H  
HETATM   51  H   UNL     1       3.336   4.556   0.563  1.00  0.00           H  
HETATM   52  H   UNL     1       3.290   2.354   1.650  1.00  0.00           H  
HETATM   53  H   UNL     1       2.912   0.184  -3.617  1.00  0.00           H  
HETATM   54  H   UNL     1       4.516  -0.052  -3.987  1.00  0.00           H  
CONECT    1   24   26   26   10                                       
CONECT    2    3   24   29   30                                       
CONECT    3    4    4   28    2                                       
CONECT    4    5    3    3   31                                       
CONECT    5    6    6    4   32                                       
CONECT    6    5    5   28   33                                       
CONECT    7    8   24   34   35                                       
CONECT    8    9    7   36   37                                       
CONECT    9   25    8   38   39                                       
CONECT   10   23    1   11   11                                       
CONECT   11   10   10   20   27                                       
CONECT   12   27   13   40   41                                       
CONECT   13   12   19   19   14                                       
CONECT   14   13   15   15   42                                       
CONECT   15   14   14   17   16                                       
CONECT   16   15   43   44   45                                       
CONECT   17   18   18   15   46                                       
CONECT   18   19   17   17   47                                       
CONECT   19   13   13   18   48                                       
CONECT   20   21   21   11   49                                       
CONECT   21   22   20   20   50                                       
CONECT   22   23   23   21   51                                       
CONECT   23   22   22   10   52                                       
CONECT   24    2    7    1                                            
CONECT   25    9   53   54                                            
CONECT   26    1    1                                                 
CONECT   27   11   12                                                 
CONECT   28    6    3                                                 
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
