COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.559   2.676  -0.678  1.00  0.00           C  
HETATM    2  C   UNL     1       3.613   3.489  -1.275  1.00  0.00           C  
HETATM    3  C   UNL     1       4.181   1.756   0.284  1.00  0.00           C  
HETATM    4  C   UNL     1       2.285   3.387  -0.915  1.00  0.00           C  
HETATM    5  C   UNL     1       2.856   1.645   0.653  1.00  0.00           C  
HETATM    6  C   UNL     1       2.061  -4.517   0.212  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.554   2.895   0.971  1.00  0.00           C  
HETATM    8  C   UNL     1       1.897   2.462   0.054  1.00  0.00           C  
HETATM    9  C   UNL     1       1.422  -1.938  -0.291  1.00  0.00           C  
HETATM   10  C   UNL     1       0.474   2.348   0.446  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.219   1.172   0.691  1.00  0.00           C  
HETATM   12  C   UNL     1       2.196  -2.702  -1.205  1.00  0.00           C  
HETATM   13  C   UNL     1       1.006  -2.580   0.881  1.00  0.00           C  
HETATM   14  C   UNL     1       0.308  -0.197   0.613  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.595  -0.309  -1.615  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.954  -1.462  -0.840  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.524   0.723  -1.973  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.317  -0.922   0.442  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.887   1.263  -0.691  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.246   0.110   0.084  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.609   0.650   1.366  1.00  0.00           C  
HETATM   22  N   UNL     1       2.481  -3.961  -0.910  1.00  0.00           N  
HETATM   23  N   UNL     1       1.342  -3.854   1.090  1.00  0.00           N  
HETATM   24  N   UNL     1      -0.386   3.365   0.631  1.00  0.00           N  
HETATM   25  N   UNL     1       1.013  -0.664  -0.367  1.00  0.00           N  
HETATM   26  N   UNL     1      -1.504   1.547   1.022  1.00  0.00           N  
HETATM   27  N   UNL     1       2.645  -2.139  -2.387  1.00  0.00           N  
HETATM   28  S   UNL     1       0.073  -1.435   1.840  1.00  0.00           S  
HETATM   29  H   UNL     1       5.597   2.756  -0.966  1.00  0.00           H  
HETATM   30  H   UNL     1       3.914   4.206  -2.025  1.00  0.00           H  
HETATM   31  H   UNL     1       4.924   1.123   0.747  1.00  0.00           H  
HETATM   32  H   UNL     1       1.547   4.023  -1.382  1.00  0.00           H  
HETATM   33  H   UNL     1       2.562   0.926   1.403  1.00  0.00           H  
HETATM   34  H   UNL     1       2.312  -5.548   0.411  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.428   3.493   1.184  1.00  0.00           H  
HETATM   36  H   UNL     1       2.432  -1.216  -2.596  1.00  0.00           H  
HETATM   37  H   UNL     1       3.173  -2.667  -3.006  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.049  -0.693  -2.529  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.361   0.162  -0.999  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.718  -2.197  -0.585  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.188  -1.932  -1.456  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.758   0.252  -2.589  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.981   1.544  -2.526  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.083  -0.451   1.058  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.861  -1.743   0.994  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.124   1.998  -0.946  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.653   1.733  -0.075  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.480  -0.361  -0.532  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.356   1.197   1.941  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.230  -0.181   1.962  1.00  0.00           H  
CONECT    1    2    3    3   29                                       
CONECT    2    1    4    4   30                                       
CONECT    3    1    1    5   31                                       
CONECT    4    2    2    8   32                                       
CONECT    5    3    8    8   33                                       
CONECT    6   22   23   23   34                                       
CONECT    7   24   24   26   35                                       
CONECT    8    4    5    5   10                                       
CONECT    9   12   13   13   25                                       
CONECT   10    8   11   11   24                                       
CONECT   11   10   10   14   26                                       
CONECT   12    9   22   22   27                                       
CONECT   13    9    9   23   28                                       
CONECT   14   11   25   25   28                                       
CONECT   15   16   17   38   39                                       
CONECT   16   15   18   40   41                                       
CONECT   17   15   19   42   43                                       
CONECT   18   16   20   44   45                                       
CONECT   19   17   20   46   47                                       
CONECT   20   18   19   21   48                                       
CONECT   21   20   26   49   50                                       
CONECT   22    6   12   12                                            
CONECT   23    6    6   13                                            
CONECT   24    7    7   10                                            
CONECT   25    9   14   14                                            
CONECT   26    7   11   21                                            
CONECT   27   12   36   37                                            
CONECT   28   13   14                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36   27                                                      
CONECT   37   27                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
