COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.319   2.914   0.605  1.00  0.00           C  
HETATM    2  C   UNL     1       6.372   1.767   0.363  1.00  0.00           C  
HETATM    3  C   UNL     1       5.057   2.029   0.026  1.00  0.00           C  
HETATM    4  C   UNL     1       4.192   0.970  -0.195  1.00  0.00           C  
HETATM    5  C   UNL     1       4.685  -0.325  -0.068  1.00  0.00           C  
HETATM    6  C   UNL     1       6.018  -0.507   0.274  1.00  0.00           C  
HETATM    7  N   UNL     1       6.810   0.528   0.470  1.00  0.00           N  
HETATM    8  C   UNL     1       6.567  -1.903   0.416  1.00  0.00           C  
HETATM    9  O   UNL     1       3.874  -1.395  -0.274  1.00  0.00           O  
HETATM   10  C   UNL     1       2.568  -1.160  -0.557  1.00  0.00           C  
HETATM   11  C   UNL     1       2.163  -0.851  -1.855  1.00  0.00           C  
HETATM   12  C   UNL     1       0.827  -0.618  -2.107  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.067  -0.683  -1.138  1.00  0.00           N  
HETATM   14  C   UNL     1       0.275  -0.974   0.109  1.00  0.00           C  
HETATM   15  C   UNL     1       1.600  -1.226   0.438  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.703  -1.031   1.096  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.017  -0.656   0.800  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.082  -1.341   1.373  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.378  -0.967   1.079  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.617   0.087   0.216  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.560   0.770  -0.356  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.260   0.405  -0.062  1.00  0.00           C  
HETATM   23  S   UNL     1      -6.273   0.559  -0.157  1.00  0.00           S  
HETATM   24  O   UNL     1      -6.228   1.227  -1.410  1.00  0.00           O  
HETATM   25  O   UNL     1      -7.081  -0.584   0.086  1.00  0.00           O  
HETATM   26  N   UNL     1      -6.723   1.695   0.962  1.00  0.00           N  
HETATM   27  H   UNL     1       7.293   3.191   1.659  1.00  0.00           H  
HETATM   28  H   UNL     1       8.331   2.612   0.334  1.00  0.00           H  
HETATM   29  H   UNL     1       7.020   3.767  -0.003  1.00  0.00           H  
HETATM   30  H   UNL     1       4.708   3.047  -0.064  1.00  0.00           H  
HETATM   31  H   UNL     1       3.159   1.145  -0.460  1.00  0.00           H  
HETATM   32  H   UNL     1       6.954  -2.241  -0.545  1.00  0.00           H  
HETATM   33  H   UNL     1       7.370  -1.905   1.152  1.00  0.00           H  
HETATM   34  H   UNL     1       5.773  -2.575   0.743  1.00  0.00           H  
HETATM   35  H   UNL     1       2.887  -0.794  -2.655  1.00  0.00           H  
HETATM   36  H   UNL     1       1.876  -1.467   1.455  1.00  0.00           H  
HETATM   37  H   UNL     1       0.509  -0.378  -3.111  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.474  -1.332   1.989  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.896  -2.164   2.046  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.435   0.942  -0.506  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.207  -1.499   1.523  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.750   1.592  -1.029  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.365   2.381   0.725  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.343   1.673   1.855  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    1    3    7    7                                       
CONECT    3    2    4    4   30                                       
CONECT    4    3    3    5   31                                       
CONECT    5    4    6    6    9                                       
CONECT    6    5    5    7    8                                       
CONECT    7    2    2    6                                            
CONECT    8    6   32   33   34                                       
CONECT    9    5   10                                                 
CONECT   10    9   11   11   15                                       
CONECT   11   10   10   12   35                                       
CONECT   12   11   13   13   37                                       
CONECT   13   12   12   14                                            
CONECT   14   13   15   15   16                                       
CONECT   15   10   14   14   36                                       
CONECT   16   14   17   38                                            
CONECT   17   16   18   22   22                                       
CONECT   18   17   19   19   39                                       
CONECT   19   18   18   20   41                                       
CONECT   20   19   21   21   23                                       
CONECT   21   20   20   22   42                                       
CONECT   22   17   17   21   40                                       
CONECT   23   20   24   24   25                                       
CONECT   23   25   26                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   43   44                                            
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   11                                                      
CONECT   36   15                                                      
CONECT   37   12                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   22                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
