COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.301   1.321  -1.066  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.265   1.029   0.279  1.00  0.00           C  
HETATM    3  C   UNL     1       7.745   1.135  -0.016  1.00  0.00           C  
HETATM    4  O   UNL     1       7.073  -0.126  -0.012  1.00  0.00           O  
HETATM    5  C   UNL     1       5.715  -0.101  -0.020  1.00  0.00           C  
HETATM    6  C   UNL     1       5.046   1.127  -0.031  1.00  0.00           C  
HETATM    7  C   UNL     1       3.687   1.179  -0.038  1.00  0.00           C  
HETATM    8  C   UNL     1       2.942  -0.010  -0.036  1.00  0.00           C  
HETATM    9  C   UNL     1       1.529   0.010  -0.044  1.00  0.00           C  
HETATM   10  C   UNL     1       0.862  -1.203  -0.040  1.00  0.00           C  
HETATM   11  C   UNL     1       1.588  -2.387  -0.030  1.00  0.00           C  
HETATM   12  N   UNL     1       2.900  -2.395  -0.022  1.00  0.00           N  
HETATM   13  C   UNL     1       3.609  -1.259  -0.025  1.00  0.00           C  
HETATM   14  C   UNL     1       5.013  -1.285  -0.022  1.00  0.00           C  
HETATM   15  O   UNL     1       0.847   1.182  -0.054  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.507   1.133   0.056  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.677   1.272  -0.955  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.470   0.847   1.403  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.095   0.897   1.291  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.659   0.979   0.392  1.00  0.00           N  
HETATM   21  S   UNL     1      -5.487  -0.345  -0.160  1.00  0.00           S  
HETATM   22  O   UNL     1      -6.854  -0.126   0.164  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.031  -0.580  -1.485  1.00  0.00           O  
HETATM   24  N   UNL     1      -4.994  -1.643   0.742  1.00  0.00           N  
HETATM   25  H   UNL     1      -0.843   1.510  -2.026  1.00  0.00           H  
HETATM   26  H   UNL     1       7.457   1.702   0.869  1.00  0.00           H  
HETATM   27  H   UNL     1       8.823   0.972  -0.009  1.00  0.00           H  
HETATM   28  H   UNL     1       7.467   1.692  -0.911  1.00  0.00           H  
HETATM   29  H   UNL     1       5.616   2.045  -0.033  1.00  0.00           H  
HETATM   30  H   UNL     1       3.182   2.134  -0.046  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.217  -1.228  -0.046  1.00  0.00           H  
HETATM   32  H   UNL     1       1.057  -3.328  -0.027  1.00  0.00           H  
HETATM   33  H   UNL     1       5.538  -2.228  -0.018  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.295   1.423  -1.828  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.927   0.659   2.363  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.476   0.751   2.164  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.140   1.719   0.794  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.578  -2.411   0.846  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.122  -1.636   1.166  1.00  0.00           H  
CONECT    1   16   17   17   25                                       
CONECT    2   18   18   17   20                                       
CONECT    3    4   26   27   28                                       
CONECT    4    3    5                                                 
CONECT    5    4   14   14    6                                       
CONECT    6    5    7    7   29                                       
CONECT    7    6    6    8   30                                       
CONECT    8   13   13    9    7                                       
CONECT    9   10   10    8   15                                       
CONECT   10   11    9    9   31                                       
CONECT   11   12   12   10   32                                       
CONECT   12   11   11   13                                            
CONECT   13   14   12    8    8                                       
CONECT   14    5    5   13   33                                       
CONECT   15    9   16                                                 
CONECT   16   19   19   15    1                                       
CONECT   17    1    1    2   34                                       
CONECT   18   19    2    2   35                                       
CONECT   19   16   16   18   36                                       
CONECT   20    2   21   37                                            
CONECT   21   20   24   22   22                                       
CONECT   21   23   23                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   38   39                                            
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   14                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   24                                                      
CONECT   39   24                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
