COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.657   2.031  -0.187  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.446   0.403  -0.023  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.455  -2.714   2.140  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.858  -2.409  -0.668  1.00  0.00           C  
HETATM    5  C   UNL     1       7.688   0.522   1.304  1.00  0.00           C  
HETATM    6  C   UNL     1       4.809  -1.680  -0.856  1.00  0.00           C  
HETATM    7  C   UNL     1       4.408  -0.448  -0.176  1.00  0.00           C  
HETATM    8  C   UNL     1       5.372   0.259   0.528  1.00  0.00           C  
HETATM    9  C   UNL     1       3.431   1.294   0.678  1.00  0.00           C  
HETATM   10  C   UNL     1       0.764   1.753   0.271  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.464   2.633   0.510  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.647  -0.312  -0.647  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.290  -1.363   1.438  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.018  -3.750   0.054  1.00  0.00           C  
HETATM   15  C   UNL     1       6.994  -1.354  -0.074  1.00  0.00           C  
HETATM   16  C   UNL     1       6.523  -3.305  -1.441  1.00  0.00           C  
HETATM   17  N   UNL     1       4.745   1.348   1.057  1.00  0.00           N  
HETATM   18  N   UNL     1      -2.858   2.639  -0.114  1.00  0.00           N  
HETATM   19  N   UNL     1      -5.872  -1.587   0.047  1.00  0.00           N  
HETATM   20  N   UNL     1       3.235   0.226  -0.054  1.00  0.00           N  
HETATM   21  N   UNL     1       6.663  -0.218   0.563  1.00  0.00           N  
HETATM   22  N   UNL     1       6.098  -2.074  -0.769  1.00  0.00           N  
HETATM   23  O   UNL     1       3.997  -2.338  -1.482  1.00  0.00           O  
HETATM   24  O   UNL     1      -7.395  -3.511   1.413  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.720   1.750  -2.209  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.227   2.886  -0.610  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.536   1.002  -0.817  1.00  0.00           O  
HETATM   28  O   UNL     1       8.145  -1.743  -0.021  1.00  0.00           O  
HETATM   29  S   UNL     1       2.197   2.476   1.108  1.00  0.00           S  
HETATM   30  S   UNL     1      -4.168   1.978  -0.880  1.00  0.00           S  
HETATM   31  H   UNL     1      -4.644   0.593   1.031  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.560  -0.224  -0.119  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.494  -3.226   2.175  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.820  -2.555   3.155  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.516  -2.584  -1.688  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.817  -1.891  -0.690  1.00  0.00           H  
HETATM   37  H   UNL     1       7.720   0.167   2.333  1.00  0.00           H  
HETATM   38  H   UNL     1       8.659   0.365   0.835  1.00  0.00           H  
HETATM   39  H   UNL     1       7.447   1.585   1.293  1.00  0.00           H  
HETATM   40  H   UNL     1       0.578   0.754   0.666  1.00  0.00           H  
HETATM   41  H   UNL     1       0.962   1.689  -0.799  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.278   3.632   0.114  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.663   2.697   1.580  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.533   0.315  -0.551  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.448  -0.502  -1.702  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.240  -0.828   1.451  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.534  -0.774   1.957  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.790  -4.340  -0.439  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.072  -4.292   0.029  1.00  0.00           H  
HETATM   50  H   UNL     1       5.671  -3.754  -1.950  1.00  0.00           H  
HETATM   51  H   UNL     1       7.300  -3.071  -2.169  1.00  0.00           H  
HETATM   52  H   UNL     1       6.916  -4.004  -0.703  1.00  0.00           H  
HETATM   53  H   UNL     1       5.156   2.036   1.604  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.954   3.464   0.387  1.00  0.00           H  
CONECT    1   27   27   18   11                                       
CONECT    2   12   30   31   32                                       
CONECT    3   24   13   33   34                                       
CONECT    4   14   19   35   36                                       
CONECT    5   21   37   38   39                                       
CONECT    6   23   23    7   22                                       
CONECT    7   20    6    8    8                                       
CONECT    8    7    7   17   21                                       
CONECT    9   20   20   29   17                                       
CONECT   10   29   11   40   41                                       
CONECT   11    1   10   42   43                                       
CONECT   12   19    2   44   45                                       
CONECT   13    3   19   46   47                                       
CONECT   14   24    4   48   49                                       
CONECT   15   22   21   28   28                                       
CONECT   16   22   50   51   52                                       
CONECT   17    9    8   53                                            
CONECT   18   30    1   54                                            
CONECT   19    4   13   12                                            
CONECT   20    7    9    9                                            
CONECT   21    8   15    5                                            
CONECT   22    6   16   15                                            
CONECT   23    6    6                                                 
CONECT   24   14    3                                                 
CONECT   25   30   30                                                 
CONECT   26   30   30                                                 
CONECT   27    1    1                                                 
CONECT   28   15   15                                                 
CONECT   29    9   10                                                 
CONECT   30    2   26   26   25                                       
CONECT   30   25   18                                                 
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
