COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.359   2.855  -0.630  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.597   1.514  -0.347  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.826   2.100   0.422  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.556  -0.719  -0.044  1.00  0.00           C  
HETATM    5  C   UNL     1       0.508   0.500   0.143  1.00  0.00           C  
HETATM    6  C   UNL     1       2.780   0.659   1.008  1.00  0.00           C  
HETATM    7  C   UNL     1       4.189   0.612   0.474  1.00  0.00           C  
HETATM    8  C   UNL     1       6.015  -0.642  -0.158  1.00  0.00           C  
HETATM    9  C   UNL     1       6.735   0.494  -0.476  1.00  0.00           C  
HETATM   10  C   UNL     1       4.845   1.791   0.173  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.127  -4.389   0.237  1.00  0.00           C  
HETATM   12  O   UNL     1       0.098   0.646   1.275  1.00  0.00           O  
HETATM   13  N   UNL     1       1.834   0.491  -0.098  1.00  0.00           N  
HETATM   14  C   UNL     1       6.143   1.737  -0.311  1.00  0.00           C  
HETATM   15  N   UNL     1       4.784  -0.553   0.306  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.466   0.327  -0.994  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.835   0.373  -0.475  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.340   3.792  -0.383  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.790  -0.317   0.361  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.844   1.133   0.185  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.565   3.413   0.147  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.068  -2.108  -0.032  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.805  -3.190   0.301  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.849  -4.298  -0.144  1.00  0.00           C  
HETATM   25  S   UNL     1      -0.438  -2.616  -0.455  1.00  0.00           S  
HETATM   26  H   UNL     1      -1.408   3.161  -1.038  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.783   1.811   0.830  1.00  0.00           H  
HETATM   28  H   UNL     1       2.639  -0.143   1.732  1.00  0.00           H  
HETATM   29  H   UNL     1       2.607   1.620   1.492  1.00  0.00           H  
HETATM   30  H   UNL     1       6.469  -1.614  -0.283  1.00  0.00           H  
HETATM   31  H   UNL     1       7.743   0.414  -0.855  1.00  0.00           H  
HETATM   32  H   UNL     1       4.353   2.741   0.313  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.593  -5.332   0.481  1.00  0.00           H  
HETATM   34  H   UNL     1       2.161   0.374  -1.003  1.00  0.00           H  
HETATM   35  H   UNL     1       6.680   2.641  -0.555  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.325   1.129  -1.718  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.292  -0.634  -1.478  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.152   4.832  -0.603  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.578  -0.948   0.743  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.322   4.160   0.334  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.842  -3.122   0.594  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.169  -5.132  -0.244  1.00  0.00           H  
CONECT    1   18    2    2   26                                       
CONECT    2    1    1   20   17                                       
CONECT    3   21   20   20   27                                       
CONECT    4   19   19   17   22                                       
CONECT    5   12   12   16   13                                       
CONECT    6    7   13   28   29                                       
CONECT    7   10   10   15    6                                       
CONECT    8    9   15   15   30                                       
CONECT    9   14   14    8   31                                       
CONECT   10   14    7    7   32                                       
CONECT   11   23   24   24   33                                       
CONECT   12    5    5                                                 
CONECT   13    5    6   34                                            
CONECT   14    9    9   10   35                                       
CONECT   15    8    8    7                                            
CONECT   16   17    5   36   37                                       
CONECT   17    2   16    4                                            
CONECT   18   21   21    1   38                                       
CONECT   19   20    4    4   39                                       
CONECT   20    3    3    2   19                                       
CONECT   21   18   18    3   40                                       
CONECT   22    4   23   23   25                                       
CONECT   23   22   22   11   41                                       
CONECT   24   25   11   11   42                                       
CONECT   25   22   24                                                 
CONECT   26    1                                                      
CONECT   27    3                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   21                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
