COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.859  -2.634  -0.624  1.00  0.00           C  
HETATM    2  C   UNL     1       3.420  -2.213  -0.776  1.00  0.00           C  
HETATM    3  N   UNL     1       2.634  -2.497  -1.776  1.00  0.00           N  
HETATM    4  N   UNL     1       1.472  -1.981  -1.583  1.00  0.00           N  
HETATM    5  C   UNL     1       1.454  -1.335  -0.440  1.00  0.00           C  
HETATM    6  N   UNL     1       2.696  -1.468   0.113  1.00  0.00           N  
HETATM    7  C   UNL     1       3.157  -0.922   1.392  1.00  0.00           C  
HETATM    8  C   UNL     1       3.731   0.454   1.173  1.00  0.00           C  
HETATM    9  C   UNL     1       2.914   1.566   1.257  1.00  0.00           C  
HETATM   10  C   UNL     1       3.441   2.828   1.056  1.00  0.00           C  
HETATM   11  C   UNL     1       4.786   2.978   0.771  1.00  0.00           C  
HETATM   12  C   UNL     1       5.603   1.866   0.687  1.00  0.00           C  
HETATM   13  C   UNL     1       5.077   0.605   0.893  1.00  0.00           C  
HETATM   14  S   UNL     1       0.086  -0.467   0.252  1.00  0.00           S  
HETATM   15  C   UNL     1      -1.152  -0.755  -1.037  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.445  -0.084  -0.650  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.689   1.230  -1.033  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.762   1.906  -1.757  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.076   3.253  -2.118  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.881   1.854  -0.679  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.819   1.180   0.050  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.584  -0.144   0.442  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.594  -0.872   1.220  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.401  -2.336   1.522  1.00  0.00           C  
HETATM   25  O   UNL     1      -6.584  -0.296   1.619  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.387  -0.774   0.080  1.00  0.00           C  
HETATM   27  H   UNL     1       5.507  -1.879  -1.067  1.00  0.00           H  
HETATM   28  H   UNL     1       5.096  -2.742   0.434  1.00  0.00           H  
HETATM   29  H   UNL     1       5.014  -3.588  -1.130  1.00  0.00           H  
HETATM   30  H   UNL     1       2.317  -0.859   2.084  1.00  0.00           H  
HETATM   31  H   UNL     1       3.924  -1.574   1.810  1.00  0.00           H  
HETATM   32  H   UNL     1       1.864   1.449   1.479  1.00  0.00           H  
HETATM   33  H   UNL     1       2.803   3.697   1.121  1.00  0.00           H  
HETATM   34  H   UNL     1       5.198   3.964   0.613  1.00  0.00           H  
HETATM   35  H   UNL     1       6.653   1.984   0.464  1.00  0.00           H  
HETATM   36  H   UNL     1       5.716  -0.264   0.832  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.797  -0.341  -1.981  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.318  -1.826  -1.149  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.253   3.677  -2.693  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.984   3.265  -2.721  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.232   3.844  -1.216  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.065   2.874  -0.980  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.743   1.668   0.323  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.422  -2.655   1.164  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.465  -2.497   2.598  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.177  -2.916   1.022  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.200  -1.794   0.379  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    1    3    3    6                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5                                            
CONECT    5    6    4    4   14                                       
CONECT    6    2    7    5                                            
CONECT    7    6    8   30   31                                       
CONECT    8    7   13   13    9                                       
CONECT    9    8   10   10   32                                       
CONECT   10    9    9   11   33                                       
CONECT   11   12   12   10   34                                       
CONECT   12   13   11   11   35                                       
CONECT   13    8    8   12   36                                       
CONECT   14    5   15                                                 
CONECT   15   14   16   37   38                                       
CONECT   16   26   15   17   17                                       
CONECT   17   16   16   20   18                                       
CONECT   18   17   19                                                 
CONECT   19   18   39   40   41                                       
CONECT   20   21   21   17   42                                       
CONECT   21   22   20   20   43                                       
CONECT   22   23   26   26   21                                       
CONECT   23   25   25   24   22                                       
CONECT   24   23   44   45   46                                       
CONECT   25   23   23                                                 
CONECT   26   22   22   16   47                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
