COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -1.224   2.833  -1.139  1.00  0.00           S  
HETATM    2  C   UNL     1      -2.156   1.696  -0.166  1.00  0.00           C  
HETATM    3  N   UNL     1       0.256   2.999  -0.416  1.00  0.00           N  
HETATM    4  S   UNL     1      -2.184  -0.048  -0.394  1.00  0.00           S  
HETATM    5  C   UNL     1       1.095   1.947  -0.349  1.00  0.00           C  
HETATM    6  C   UNL     1       3.125   0.970   0.404  1.00  0.00           C  
HETATM    7  C   UNL     1       3.515  -1.278   0.020  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.943   2.026   0.859  1.00  0.00           C  
HETATM    9  N   UNL     1       2.763  -0.195  -0.112  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.302  -0.235   0.951  1.00  0.00           C  
HETATM   11  N   UNL     1       2.300   2.082   0.240  1.00  0.00           N  
HETATM   12  N   UNL     1       3.093  -2.483  -0.541  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.576   0.961   1.475  1.00  0.00           C  
HETATM   14  C   UNL     1       1.990  -2.516  -1.314  1.00  0.00           C  
HETATM   15  C   UNL     1       4.312   1.095   1.111  1.00  0.00           C  
HETATM   16  C   UNL     1       4.712  -1.229   0.718  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.992   2.195  -2.388  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.874   4.091  -1.018  1.00  0.00           O  
HETATM   19  C   UNL     1       5.125  -0.022   1.274  1.00  0.00           C  
HETATM   20  O   UNL     1       0.766   0.876  -0.820  1.00  0.00           O  
HETATM   21  O   UNL     1       1.310  -1.516  -1.447  1.00  0.00           O  
HETATM   22  N   UNL     1       1.639  -3.657  -1.939  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.860  -1.546   1.440  1.00  0.00           C  
HETATM   24  O   UNL     1       6.294   0.064   1.959  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.503   1.138   2.649  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.692  -3.098   1.162  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.162  -1.854   0.698  1.00  0.00           C  
HETATM   28  C   UNL     1       0.440  -3.694  -2.779  1.00  0.00           C  
HETATM   29  C   UNL     1       7.065  -1.133   2.078  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.915  -3.481   0.530  1.00  0.00           C  
HETATM   31  H   UNL     1       0.519   3.854  -0.040  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.075   3.048   1.184  1.00  0.00           H  
HETATM   33  H   UNL     1       2.593   2.954   0.549  1.00  0.00           H  
HETATM   34  H   UNL     1       4.602   2.048   1.528  1.00  0.00           H  
HETATM   35  H   UNL     1       3.594  -3.297  -0.375  1.00  0.00           H  
HETATM   36  H   UNL     1       5.321  -2.115   0.822  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.138  -2.341   1.253  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.058  -1.480   2.510  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.522   1.281   2.290  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.462   0.251   3.281  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.195   2.010   3.227  1.00  0.00           H  
HETATM   42  H   UNL     1       2.181  -4.455  -1.832  1.00  0.00           H  
HETATM   43  H   UNL     1       0.541  -2.971  -3.589  1.00  0.00           H  
HETATM   44  H   UNL     1       0.319  -4.693  -3.198  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.434  -3.444  -2.177  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.884  -1.059   0.886  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.964  -1.920  -0.371  1.00  0.00           H  
HETATM   48  H   UNL     1       6.479  -1.894   2.593  1.00  0.00           H  
HETATM   49  H   UNL     1       7.334  -1.492   1.084  1.00  0.00           H  
HETATM   50  H   UNL     1       7.972  -0.926   2.647  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.673  -2.720   0.714  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.753  -3.581  -0.543  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.251  -4.435   0.937  1.00  0.00           H  
CONECT    1    2    3   17   17                                       
CONECT    1   18   18                                                 
CONECT    2    1    4    8    8                                       
CONECT    3    1    5   31                                            
CONECT    4    2   10                                                 
CONECT    5    3   11   20   20                                       
CONECT    6    9    9   11   15                                       
CONECT    7    9   12   16   16                                       
CONECT    8    2    2   13   32                                       
CONECT    9    6    6    7                                            
CONECT   10    4   13   13   23                                       
CONECT   11    5    6   33                                            
CONECT   12    7   14   35                                            
CONECT   13    8   10   10   25                                       
CONECT   14   12   21   21   22                                       
CONECT   15    6   19   19   34                                       
CONECT   16    7    7   19   36                                       
CONECT   17    1    1                                                 
CONECT   18    1    1                                                 
CONECT   19   15   15   16   24                                       
CONECT   20    5    5                                                 
CONECT   21   14   14                                                 
CONECT   22   14   28   42                                            
CONECT   23   10   27   37   38                                       
CONECT   24   19   29                                                 
CONECT   25   13   39   40   41                                       
CONECT   26   27   30                                                 
CONECT   27   23   26   46   47                                       
CONECT   28   22   43   44   45                                       
CONECT   29   24   48   49   50                                       
CONECT   30   26   51   52   53                                       
CONECT   31    3                                                      
CONECT   32    8                                                      
CONECT   33   11                                                      
CONECT   34   15                                                      
CONECT   35   12                                                      
CONECT   36   16                                                      
CONECT   37   23                                                      
CONECT   38   23                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
CONECT   42   22                                                      
CONECT   43   28                                                      
CONECT   44   28                                                      
CONECT   45   28                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
