COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.893   2.500  -0.042  1.00  0.00           C  
HETATM    2  C   UNL     1       5.566   2.890  -0.049  1.00  0.00           C  
HETATM    3  C   UNL     1       4.003  -1.784  -0.013  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.966   0.394  -0.761  1.00  0.00           C  
HETATM    5  C   UNL     1       2.456  -3.789  -0.009  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.533   0.569  -1.685  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.269   0.510  -0.866  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.344   0.522   0.534  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.201   0.474   1.260  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.252   0.485   2.766  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.003   0.404   0.609  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.710   0.335   1.049  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.920   0.285  -0.045  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.416   0.202  -0.040  1.00  0.00           C  
HETATM   15  S   UNL     1       0.092  -1.536  -0.028  1.00  0.00           S  
HETATM   16  C   UNL     1       1.844  -1.342  -0.025  1.00  0.00           C  
HETATM   17  N   UNL     1       2.486  -0.199  -0.029  1.00  0.00           N  
HETATM   18  C   UNL     1       3.821  -0.440  -0.024  1.00  0.00           C  
HETATM   19  C   UNL     1       4.893   0.586  -0.031  1.00  0.00           C  
HETATM   20  C   UNL     1       6.232   0.198  -0.036  1.00  0.00           C  
HETATM   21  C   UNL     1       7.225   1.157  -0.035  1.00  0.00           C  
HETATM   22  C   UNL     1       4.565   1.940  -0.043  1.00  0.00           C  
HETATM   23  N   UNL     1       2.754  -2.355  -0.017  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.696   0.321  -1.132  1.00  0.00           N  
HETATM   25  N   UNL     1      -5.104   0.447  -1.468  1.00  0.00           N  
HETATM   26  H   UNL     1       7.673   3.247  -0.046  1.00  0.00           H  
HETATM   27  H   UNL     1       5.313   3.940  -0.059  1.00  0.00           H  
HETATM   28  H   UNL     1       4.949  -2.305  -0.006  1.00  0.00           H  
HETATM   29  H   UNL     1       2.384  -4.151  -1.035  1.00  0.00           H  
HETATM   30  H   UNL     1       3.252  -4.323   0.510  1.00  0.00           H  
HETATM   31  H   UNL     1       1.509  -3.961   0.503  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.786   1.610  -1.888  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.381   0.042  -2.627  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.346   0.099  -1.132  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.303   0.574   1.028  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.290   0.535   3.095  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.792  -0.425   3.152  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.710   1.354   3.142  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.382   0.324   2.078  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.022   0.689  -0.932  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.027   0.700   0.848  1.00  0.00           H  
HETATM   42  H   UNL     1       6.492  -0.850  -0.030  1.00  0.00           H  
HETATM   43  H   UNL     1       8.262   0.858  -0.030  1.00  0.00           H  
HETATM   44  H   UNL     1       3.529   2.246  -0.039  1.00  0.00           H  
CONECT    1   21    2    2   26                                       
CONECT    2    1    1   22   27                                       
CONECT    3   23   18   18   28                                       
CONECT    4   25   11   24   24                                       
CONECT    5   23   29   30   31                                       
CONECT    6    7   32   33   34                                       
CONECT    7    6    8   25   25                                       
CONECT    8    7    9    9   35                                       
CONECT    9    8    8   10   11                                       
CONECT   10    9   36   37   38                                       
CONECT   11    9    4   12                                            
CONECT   12   11   13   13   39                                       
CONECT   13   24   12   12   14                                       
CONECT   14   13   15   40   41                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   17   23                                       
CONECT   17   16   16   18                                            
CONECT   18   17    3    3   19                                       
CONECT   19   20   18   22   22                                       
CONECT   20   21   21   19   42                                       
CONECT   21   20   20    1   43                                       
CONECT   22   19   19    2   44                                       
CONECT   23   16    5    3                                            
CONECT   24    4    4   13                                            
CONECT   25    7    7    4                                            
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
