COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.169   2.686   1.450  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.639   1.684   2.506  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.999   1.470   1.034  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.290   0.362   0.299  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.240  -0.299   0.895  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.701   0.001  -0.988  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.797   0.683  -1.609  1.00  0.00           C  
HETATM    8  N   UNL     1      -5.665   1.224  -2.101  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.041  -1.028  -1.667  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.988  -1.681  -1.067  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.585  -1.322   0.216  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.523  -1.989   0.822  1.00  0.00           N  
HETATM   13  S   UNL     1       1.032  -1.672   0.348  1.00  0.00           S  
HETATM   14  O   UNL     1       1.826  -2.523   1.162  1.00  0.00           O  
HETATM   15  O   UNL     1       1.006  -1.824  -1.064  1.00  0.00           O  
HETATM   16  C   UNL     1       1.296   0.066   0.797  1.00  0.00           C  
HETATM   17  C   UNL     1       2.649   0.511   0.303  1.00  0.00           C  
HETATM   18  C   UNL     1       3.761   0.368   1.112  1.00  0.00           C  
HETATM   19  C   UNL     1       5.002   0.777   0.660  1.00  0.00           C  
HETATM   20  C   UNL     1       5.130   1.329  -0.601  1.00  0.00           C  
HETATM   21  C   UNL     1       6.483   1.774  -1.094  1.00  0.00           C  
HETATM   22  C   UNL     1       4.019   1.471  -1.410  1.00  0.00           C  
HETATM   23  C   UNL     1       2.779   1.058  -0.960  1.00  0.00           C  
HETATM   24  H   UNL     1      -3.657   3.660   1.428  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.110   2.685   1.192  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.890   1.023   2.942  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.437   1.998   3.178  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.033   1.644   0.738  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.924  -0.024   1.890  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.356  -1.309  -2.660  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.478  -2.475  -1.591  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.694  -2.639   1.521  1.00  0.00           H  
HETATM   33  H   UNL     1       0.522   0.681   0.339  1.00  0.00           H  
HETATM   34  H   UNL     1       1.252   0.172   1.880  1.00  0.00           H  
HETATM   35  H   UNL     1       3.660  -0.062   2.097  1.00  0.00           H  
HETATM   36  H   UNL     1       5.870   0.666   1.292  1.00  0.00           H  
HETATM   37  H   UNL     1       6.974   0.946  -1.605  1.00  0.00           H  
HETATM   38  H   UNL     1       6.361   2.607  -1.786  1.00  0.00           H  
HETATM   39  H   UNL     1       7.092   2.091  -0.247  1.00  0.00           H  
HETATM   40  H   UNL     1       4.119   1.901  -2.395  1.00  0.00           H  
HETATM   41  H   UNL     1       1.911   1.166  -1.593  1.00  0.00           H  
CONECT    1    2    3   24   25                                       
CONECT    2    1    3   26   27                                       
CONECT    3    1    2    4   28                                       
CONECT    4    5    3    6    6                                       
CONECT    5   11   11    4   29                                       
CONECT    6    4    4    9    7                                       
CONECT    7    6    8    8    8                                       
CONECT    8    7    7    7                                            
CONECT    9   10   10    6   30                                       
CONECT   10   11    9    9   31                                       
CONECT   11   12    5    5   10                                       
CONECT   12   13   11   32                                            
CONECT   13   14   14   15   15                                       
CONECT   13   16   12                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   13   17   33   34                                       
CONECT   17   16   18   18   23                                       
CONECT   18   17   17   19   35                                       
CONECT   19   18   20   20   36                                       
CONECT   20   19   19   22   21                                       
CONECT   21   20   37   38   39                                       
CONECT   22   23   23   20   40                                       
CONECT   23   17   22   22   41                                       
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   12                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
