COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       3.702   1.885  -0.304  1.00  0.00           S  
HETATM    2  C   UNL     1       6.723  -2.568  -0.387  1.00  0.00           C  
HETATM    3  O   UNL     1       4.338   1.736  -1.566  1.00  0.00           O  
HETATM    4  C   UNL     1       6.905  -3.165   1.953  1.00  0.00           C  
HETATM    5  N   UNL     1       4.502   0.883   0.744  1.00  0.00           N  
HETATM    6  O   UNL     1       3.571   3.135   0.358  1.00  0.00           O  
HETATM    7  C   UNL     1       5.819  -1.099   1.312  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.788  -0.258  -0.932  1.00  0.00           N  
HETATM    9  O   UNL     1      -3.833  -1.844  -2.092  1.00  0.00           O  
HETATM   10  C   UNL     1       4.769  -0.508   0.368  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.826  -1.518  -1.026  1.00  0.00           N  
HETATM   12  C   UNL     1       2.070   1.247  -0.491  1.00  0.00           C  
HETATM   13  C   UNL     1       1.800   0.323  -1.482  1.00  0.00           C  
HETATM   14  C   UNL     1       0.522  -0.179  -1.632  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.493   0.247  -0.784  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.781   0.160  -0.100  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.046  -0.333  -0.245  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.514  -1.312  -1.234  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.297  -0.753   0.034  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.562  -0.638   0.603  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.765   0.211   1.671  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.719   0.957   2.188  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.458   0.857   1.636  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.243   0.003   0.561  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.218   1.176   0.212  1.00  0.00           C  
HETATM   26  C   UNL     1       1.063   1.669   0.359  1.00  0.00           C  
HETATM   27  H   UNL     1      -6.374  -2.121  -1.551  1.00  0.00           H  
HETATM   28  H   UNL     1       6.846  -3.613  -0.672  1.00  0.00           H  
HETATM   29  H   UNL     1       7.699  -2.084  -0.348  1.00  0.00           H  
HETATM   30  H   UNL     1       6.096  -2.063  -1.121  1.00  0.00           H  
HETATM   31  H   UNL     1       6.379  -3.156   2.907  1.00  0.00           H  
HETATM   32  H   UNL     1       7.856  -2.643   2.057  1.00  0.00           H  
HETATM   33  H   UNL     1       7.089  -4.196   1.649  1.00  0.00           H  
HETATM   34  H   UNL     1       6.739  -0.519   1.240  1.00  0.00           H  
HETATM   35  H   UNL     1       5.447  -1.064   2.336  1.00  0.00           H  
HETATM   36  H   UNL     1       3.849  -1.087   0.441  1.00  0.00           H  
HETATM   37  H   UNL     1       5.141  -0.542  -0.656  1.00  0.00           H  
HETATM   38  H   UNL     1       4.794   1.217   1.607  1.00  0.00           H  
HETATM   39  H   UNL     1       2.589  -0.008  -2.141  1.00  0.00           H  
HETATM   40  H   UNL     1       0.311  -0.900  -2.407  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.979  -0.907  -1.628  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.569   0.882   0.674  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.385  -1.215   0.208  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.750   0.296   2.107  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.891   1.620   3.024  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.642   1.438   2.039  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.005   1.509   0.873  1.00  0.00           H  
HETATM   48  H   UNL     1       1.278   2.389   1.135  1.00  0.00           H  
HETATM   49  N   UNL     1       6.087  -2.493   0.935  1.00  0.00           N  
CONECT    1    5    3    3    6                                       
CONECT    1    6   12                                                 
CONECT    2   49   28   29   30                                       
CONECT    3    1    1                                                 
CONECT    4   49   32   31   33                                       
CONECT    5    1   38   10                                            
CONECT    6    1    1                                                 
CONECT    7   49   10   34   35                                       
CONECT    8   16   15   41                                            
CONECT    9   18   18                                                 
CONECT   10    7    5   37   36                                       
CONECT   11   19   18   27                                            
CONECT   12    1   26   13   13                                       
CONECT   13   12   12   14   39                                       
CONECT   14   13   15   15   40                                       
CONECT   15   14   14    8   25                                       
CONECT   16    8   17   17   42                                       
CONECT   17   16   16   24   18                                       
CONECT   18    9    9   11   17                                       
CONECT   19   11   24   24   20                                       
CONECT   20   19   21   21   43                                       
CONECT   21   20   20   22   44                                       
CONECT   22   21   45   23   23                                       
CONECT   23   22   22   46   24                                       
CONECT   24   17   19   19   23                                       
CONECT   25   15   26   26   47                                       
CONECT   26   12   25   25   48                                       
CONECT   27   11                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38    5                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41    8                                                      
CONECT   42   16                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49    2    4    7                                            
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
