COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.637   0.022  -0.527  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.195  -0.741  -0.655  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.246  -1.544  -0.316  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.037  -2.733   0.391  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.788  -3.121   0.759  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.220   2.356  -0.138  1.00  0.00           C  
HETATM    7  O   UNL     1       4.972   0.309  -0.423  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.565  -2.066  -0.286  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.308   3.787  -0.676  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.554   4.750   0.488  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.724   3.033   1.737  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.513   2.019   0.611  1.00  0.00           C  
HETATM   13  C   UNL     1       0.213  -0.301  -0.626  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.891  -1.112  -0.290  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.677  -2.318   0.428  1.00  0.00           C  
HETATM   16  C   UNL     1       1.624  -1.955   0.489  1.00  0.00           C  
HETATM   17  C   UNL     1       1.492  -0.736  -0.227  1.00  0.00           C  
HETATM   18  C   UNL     1       2.910  -2.379   0.883  1.00  0.00           C  
HETATM   19  C   UNL     1       3.997  -1.628   0.569  1.00  0.00           C  
HETATM   20  C   UNL     1       3.865  -0.424  -0.132  1.00  0.00           C  
HETATM   21  C   UNL     1       6.229  -0.210   0.017  1.00  0.00           C  
HETATM   22  N   UNL     1       0.552  -2.689   0.785  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.802   4.387   1.170  1.00  0.00           N  
HETATM   24  O   UNL     1      -4.508  -1.184  -0.669  1.00  0.00           O  
HETATM   25  S   UNL     1      -0.002   1.204  -1.516  1.00  0.00           S  
HETATM   26  H   UNL     1       2.546   0.950  -1.071  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.367   0.175  -1.201  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.883  -3.353   0.649  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.647  -4.042   1.305  1.00  0.00           H  
HETATM   30  H   UNL     1       0.627   2.274   0.543  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.518  -1.662  -0.628  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.403  -3.045  -0.736  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.582  -2.164   0.800  1.00  0.00           H  
HETATM   34  H   UNL     1       0.627   4.047  -1.172  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.130   3.858  -1.388  1.00  0.00           H  
HETATM   36  H   UNL     1       0.276   4.688   1.192  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.631   5.768   0.106  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.651   2.805   2.263  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.888   2.980   2.435  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.355   2.062  -0.080  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.439   1.017   1.033  1.00  0.00           H  
HETATM   42  H   UNL     1       3.030  -3.303   1.429  1.00  0.00           H  
HETATM   43  H   UNL     1       4.979  -1.961   0.871  1.00  0.00           H  
HETATM   44  H   UNL     1       6.220  -0.310   1.102  1.00  0.00           H  
HETATM   45  H   UNL     1       6.397  -1.187  -0.437  1.00  0.00           H  
HETATM   46  H   UNL     1       7.027   0.470  -0.280  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.036   5.064   1.881  1.00  0.00           H  
CONECT    1   20   20   17   26                                       
CONECT    2   14    3    3   27                                       
CONECT    3    2    2    4   24                                       
CONECT    4    5    5    3   28                                       
CONECT    5   15    4    4   29                                       
CONECT    6   12    9   25   30                                       
CONECT    7   21   20                                                 
CONECT    8   24   31   32   33                                       
CONECT    9   10    6   34   35                                       
CONECT   10   23    9   36   37                                       
CONECT   11   23   12   38   39                                       
CONECT   12   11    6   40   41                                       
CONECT   13   17   14   14   25                                       
CONECT   14   13   13   15    2                                       
CONECT   15   22   22   14    5                                       
CONECT   16   18   17   17   22                                       
CONECT   17    1   16   16   13                                       
CONECT   18   19   19   16   42                                       
CONECT   19   20   18   18   43                                       
CONECT   20    7   19    1    1                                       
CONECT   21    7   44   45   46                                       
CONECT   22   16   15   15                                            
CONECT   23   10   11   47                                            
CONECT   24    3    8                                                 
CONECT   25   13    6                                                 
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
