COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.584   0.079   0.145  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.745  -0.693   0.038  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.599   1.423  -0.246  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.299  -0.179   0.578  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.920  -0.125  -0.459  1.00  0.00           C  
HETATM    6  S   UNL     1      -5.077  -2.377   0.429  1.00  0.00           S  
HETATM    7  N   UNL     1      -2.351   1.913  -0.033  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.784   1.984  -0.744  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.590   0.974   0.451  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.910   1.236  -0.849  1.00  0.00           C  
HETATM   11  N   UNL     1      -6.931  -1.014  -0.490  1.00  0.00           N  
HETATM   12  C   UNL     1      -6.696  -2.203  -0.081  1.00  0.00           C  
HETATM   13  S   UNL     1       0.110   1.168   0.873  1.00  0.00           S  
HETATM   14  C   UNL     1       0.964   0.748  -0.671  1.00  0.00           C  
HETATM   15  O   UNL     1       0.223   2.564   1.112  1.00  0.00           O  
HETATM   16  C   UNL     1       2.453   0.868  -0.470  1.00  0.00           C  
HETATM   17  C   UNL     1       3.172  -0.228  -0.041  1.00  0.00           C  
HETATM   18  N   UNL     1       3.053   2.018  -0.712  1.00  0.00           N  
HETATM   19  C   UNL     1       4.548  -0.106   0.141  1.00  0.00           C  
HETATM   20  C   UNL     1       2.480  -1.539   0.228  1.00  0.00           C  
HETATM   21  C   UNL     1       4.353   2.173  -0.552  1.00  0.00           C  
HETATM   22  C   UNL     1       5.142   1.126  -0.120  1.00  0.00           C  
HETATM   23  O   UNL     1       5.291  -1.161   0.563  1.00  0.00           O  
HETATM   24  C   UNL     1       6.626   1.312   0.061  1.00  0.00           C  
HETATM   25  C   UNL     1       5.943  -1.939  -0.443  1.00  0.00           C  
HETATM   26  C   UNL     1       7.251  -2.502   0.116  1.00  0.00           C  
HETATM   27  C   UNL     1       5.031  -3.092  -0.868  1.00  0.00           C  
HETATM   28  H   UNL     1      -1.965  -1.027   0.912  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.801   3.021  -1.047  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.813   1.685  -1.235  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.429  -2.996  -0.061  1.00  0.00           H  
HETATM   32  H   UNL     1       0.717  -0.275  -0.957  1.00  0.00           H  
HETATM   33  H   UNL     1       0.648   1.431  -1.459  1.00  0.00           H  
HETATM   34  H   UNL     1       2.376  -2.093  -0.705  1.00  0.00           H  
HETATM   35  H   UNL     1       3.070  -2.124   0.934  1.00  0.00           H  
HETATM   36  H   UNL     1       1.493  -1.349   0.650  1.00  0.00           H  
HETATM   37  H   UNL     1       4.806   3.131  -0.761  1.00  0.00           H  
HETATM   38  H   UNL     1       7.138   1.076  -0.872  1.00  0.00           H  
HETATM   39  H   UNL     1       6.832   2.347   0.336  1.00  0.00           H  
HETATM   40  H   UNL     1       6.982   0.649   0.849  1.00  0.00           H  
HETATM   41  H   UNL     1       6.159  -1.309  -1.306  1.00  0.00           H  
HETATM   42  H   UNL     1       7.035  -3.132   0.980  1.00  0.00           H  
HETATM   43  H   UNL     1       7.748  -3.095  -0.651  1.00  0.00           H  
HETATM   44  H   UNL     1       7.900  -1.681   0.419  1.00  0.00           H  
HETATM   45  H   UNL     1       4.144  -2.691  -1.359  1.00  0.00           H  
HETATM   46  H   UNL     1       5.567  -3.743  -1.559  1.00  0.00           H  
HETATM   47  H   UNL     1       4.733  -3.662   0.012  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1    5    6                                       
CONECT    3    1    7    8    8                                       
CONECT    4    1    9   28                                            
CONECT    5    2   10   10   11                                       
CONECT    6    2   12                                                 
CONECT    7    3    9    9                                            
CONECT    8    3    3   10   29                                       
CONECT    9    4    7    7   13                                       
CONECT   10    5    5    8   30                                       
CONECT   11    5   12   12                                            
CONECT   12    6   11   11   31                                       
CONECT   13    9   14   15   15                                       
CONECT   14   13   16   32   33                                       
CONECT   15   13   13                                                 
CONECT   16   14   17   17   18                                       
CONECT   17   16   16   19   20                                       
CONECT   18   16   21   21                                            
CONECT   19   17   22   22   23                                       
CONECT   20   17   34   35   36                                       
CONECT   21   18   18   22   37                                       
CONECT   22   19   19   21   24                                       
CONECT   23   19   25                                                 
CONECT   24   22   38   39   40                                       
CONECT   25   23   26   27   41                                       
CONECT   26   25   42   43   44                                       
CONECT   27   25   45   46   47                                       
CONECT   28    4                                                      
CONECT   29    8                                                      
CONECT   30   10                                                      
CONECT   31   12                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   20                                                      
CONECT   35   20                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   24                                                      
CONECT   39   24                                                      
CONECT   40   24                                                      
CONECT   41   25                                                      
CONECT   42   26                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
