COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.697   0.115   0.228  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.009  -0.282   0.387  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.934   0.721   0.126  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.376   1.895  -0.233  1.00  0.00           C  
HETATM    5  S   UNL     1      -0.626   1.752  -0.250  1.00  0.00           S  
HETATM    6  N   UNL     1       0.402  -0.695   0.432  1.00  0.00           N  
HETATM    7  C   UNL     1       1.644  -0.206   0.248  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.391  -1.639   0.793  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.121   3.112  -0.562  1.00  0.00           C  
HETATM   10  C   UNL     1       2.844  -1.090   0.470  1.00  0.00           C  
HETATM   11  C   UNL     1       4.122  -0.295   0.195  1.00  0.00           C  
HETATM   12  C   UNL     1       4.189   0.887   1.127  1.00  0.00           C  
HETATM   13  O   UNL     1       1.796   0.947  -0.098  1.00  0.00           O  
HETATM   14  O   UNL     1      -2.604  -2.588  -0.141  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.980  -3.907   0.333  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.177  -4.842  -0.862  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.460   4.234  -0.910  1.00  0.00           N  
HETATM   18  O   UNL     1       3.305   1.074   1.930  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.516  -1.908   1.972  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.423   0.516   0.235  1.00  0.00           C  
HETATM   21  O   UNL     1       5.230   1.732   1.066  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.338   3.110  -0.522  1.00  0.00           O  
HETATM   23  C   UNL     1       2.776  -2.290  -0.476  1.00  0.00           C  
HETATM   24  C   UNL     1       4.113   0.198  -1.253  1.00  0.00           C  
HETATM   25  C   UNL     1       2.767  -1.797  -1.925  1.00  0.00           C  
HETATM   26  C   UNL     1       4.045  -1.002  -2.200  1.00  0.00           C  
HETATM   27  H   UNL     1       0.280  -1.617   0.708  1.00  0.00           H  
HETATM   28  H   UNL     1       2.850  -1.441   1.502  1.00  0.00           H  
HETATM   29  H   UNL     1       4.989  -0.935   0.356  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.192  -4.300   0.976  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.909  -3.839   0.899  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.248  -4.910  -1.427  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.459  -5.833  -0.506  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.965  -4.449  -1.504  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.490   4.235  -0.943  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.953   5.040  -1.128  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.749   0.753   1.247  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.932   1.170  -0.473  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.664  -0.522   0.009  1.00  0.00           H  
HETATM   40  H   UNL     1       5.229   2.475   1.685  1.00  0.00           H  
HETATM   41  H   UNL     1       3.643  -2.930  -0.315  1.00  0.00           H  
HETATM   42  H   UNL     1       1.865  -2.856  -0.280  1.00  0.00           H  
HETATM   43  H   UNL     1       3.246   0.838  -1.415  1.00  0.00           H  
HETATM   44  H   UNL     1       5.024   0.764  -1.450  1.00  0.00           H  
HETATM   45  H   UNL     1       2.719  -2.652  -2.599  1.00  0.00           H  
HETATM   46  H   UNL     1       1.900  -1.157  -2.086  1.00  0.00           H  
HETATM   47  H   UNL     1       4.039  -0.651  -3.232  1.00  0.00           H  
HETATM   48  H   UNL     1       4.913  -1.642  -2.039  1.00  0.00           H  
CONECT    1    2    2    5    6                                       
CONECT    2    1    1    3    8                                       
CONECT    3    2    4    4   20                                       
CONECT    4    3    3    5    9                                       
CONECT    5    1    4                                                 
CONECT    6    1    7   27                                            
CONECT    7    6   10   13   13                                       
CONECT    8    2   14   19   19                                       
CONECT    9    4   17   22   22                                       
CONECT   10    7   11   23   28                                       
CONECT   11   10   12   24   29                                       
CONECT   12   11   18   18   21                                       
CONECT   13    7    7                                                 
CONECT   14    8   15                                                 
CONECT   15   14   16   30   31                                       
CONECT   16   15   32   33   34                                       
CONECT   17    9   35   36                                            
CONECT   18   12   12                                                 
CONECT   19    8    8                                                 
CONECT   20    3   37   38   39                                       
CONECT   21   12   40                                                 
CONECT   22    9    9                                                 
CONECT   23   10   25   41   42                                       
CONECT   24   11   26   43   44                                       
CONECT   25   23   26   45   46                                       
CONECT   26   24   25   47   48                                       
CONECT   27    6                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   15                                                      
CONECT   31   15                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
