COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.315  -0.717  -0.028  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.359  -1.795  -0.155  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.961   0.543   0.037  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.196   1.717   0.133  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.840   1.643   0.165  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.913  -0.771   0.011  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.097   1.911   0.069  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.705   0.349   0.137  1.00  0.00           C  
HETATM    9  C   UNL     1       1.329  -0.926   0.102  1.00  0.00           C  
HETATM   10  C   UNL     1       2.062   0.249   0.193  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.056  -0.580  -0.091  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.369   0.593   0.003  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.187   0.402   0.101  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.049  -0.880   0.074  1.00  0.00           C  
HETATM   15  C   UNL     1       1.412   1.474   0.255  1.00  0.00           C  
HETATM   16  C   UNL     1       0.034   1.527   0.227  1.00  0.00           C  
HETATM   17  C   UNL     1       2.212   2.747   0.353  1.00  0.00           C  
HETATM   18  C   UNL     1       4.024  -1.094   0.154  1.00  0.00           C  
HETATM   19  C   UNL     1       7.945  -0.687  -0.156  1.00  0.00           C  
HETATM   20  C   UNL     1       6.281  -0.943   1.299  1.00  0.00           C  
HETATM   21  C   UNL     1       5.523  -0.951   0.198  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.043  -1.837  -0.119  1.00  0.00           N  
HETATM   23  N   UNL     1      -7.072  -2.981  -0.250  1.00  0.00           N  
HETATM   24  N   UNL     1       2.708   3.118  -0.979  1.00  0.00           N  
HETATM   25  N   UNL     1       7.572  -0.804   1.073  1.00  0.00           N  
HETATM   26  O   UNL     1       3.420   0.200   0.221  1.00  0.00           O  
HETATM   27  S   UNL     1       6.586  -0.749  -1.193  1.00  0.00           S  
HETATM   28  H   UNL     1      -4.687   2.678   0.183  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.257   2.550   0.239  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.405  -1.723  -0.033  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.299   2.162   1.110  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.480   2.689  -0.379  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.038   1.834  -0.476  1.00  0.00           H  
HETATM   34  H   UNL     1       1.837  -1.878   0.054  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.136  -0.574  -0.115  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.620  -1.794   0.005  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.471   2.480   0.275  1.00  0.00           H  
HETATM   38  H   UNL     1       1.579   3.545   0.741  1.00  0.00           H  
HETATM   39  H   UNL     1       3.057   2.594   1.025  1.00  0.00           H  
HETATM   40  H   UNL     1       3.733  -1.583  -0.775  1.00  0.00           H  
HETATM   41  H   UNL     1       3.691  -1.694   1.001  1.00  0.00           H  
HETATM   42  H   UNL     1       8.967  -0.563  -0.483  1.00  0.00           H  
HETATM   43  H   UNL     1       5.869  -1.049   2.292  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.601  -3.828  -0.288  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.041  -2.964  -0.277  1.00  0.00           H  
HETATM   46  H   UNL     1       1.947   3.203  -1.637  1.00  0.00           H  
HETATM   47  H   UNL     1       3.248   3.970  -0.939  1.00  0.00           H  
CONECT    1    3    3   22    6                                       
CONECT    2   11   23   22   22                                       
CONECT    3   12    4    1    1                                       
CONECT    4    3    5    5   28                                       
CONECT    5    4    4   13   29                                       
CONECT    6    1   13   13   30                                       
CONECT    7   12   31   32   33                                       
CONECT    8   13   14   14   16                                       
CONECT    9   14   10   10   34                                       
CONECT   10    9    9   15   26                                       
CONECT   11   12   12    2   35                                       
CONECT   12    7   11   11    3                                       
CONECT   13    5    6    6    8                                       
CONECT   14    8    8    9   36                                       
CONECT   15   16   16   10   17                                       
CONECT   16    8   15   15   37                                       
CONECT   17   24   15   38   39                                       
CONECT   18   21   26   40   41                                       
CONECT   19   25   25   27   42                                       
CONECT   20   25   21   21   43                                       
CONECT   21   20   20   18   27                                       
CONECT   22    2    2    1                                            
CONECT   23    2   44   45                                            
CONECT   24   17   46   47                                            
CONECT   25   20   19   19                                            
CONECT   26   10   18                                                 
CONECT   27   21   19                                                 
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
