COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       0.247  -1.453   0.004  1.00  0.00           S  
HETATM    2  C   UNL     1       0.510   0.231  -0.053  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.688   0.901  -0.103  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.804   0.060  -0.095  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.496  -1.244  -0.041  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.481  -2.346  -0.021  1.00  0.00           C  
HETATM    7  N   UNL     1       1.755   0.838  -0.049  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.848  -2.065  -0.066  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.762  -3.098  -0.047  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.327  -4.410   0.016  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.974  -4.695   0.062  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.049  -3.672   0.038  1.00  0.00           C  
HETATM   13  C   UNL     1       2.871   0.084   0.003  1.00  0.00           C  
HETATM   14  O   UNL     1       4.082   0.674   0.008  1.00  0.00           O  
HETATM   15  O   UNL     1       2.785  -1.127   0.046  1.00  0.00           O  
HETATM   16  C   UNL     1       5.240  -0.199   0.064  1.00  0.00           C  
HETATM   17  C   UNL     1       5.186  -1.036   1.344  1.00  0.00           C  
HETATM   18  C   UNL     1       5.239  -1.127  -1.152  1.00  0.00           C  
HETATM   19  C   UNL     1       6.516   0.645   0.061  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.788   2.364  -0.159  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.997   2.956  -0.206  1.00  0.00           N  
HETATM   22  O   UNL     1       0.223   3.043  -0.163  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.096   4.416  -0.262  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.570   4.826  -0.309  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.207   4.451   0.914  1.00  0.00           O  
HETATM   26  H   UNL     1       1.824   1.805  -0.082  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.189  -1.041  -0.116  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.820  -2.882  -0.082  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.047  -5.215   0.032  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.641  -5.721   0.112  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.993  -3.896   0.069  1.00  0.00           H  
HETATM   32  H   UNL     1       4.277  -1.637   1.347  1.00  0.00           H  
HETATM   33  H   UNL     1       6.055  -1.692   1.387  1.00  0.00           H  
HETATM   34  H   UNL     1       5.186  -0.375   2.211  1.00  0.00           H  
HETATM   35  H   UNL     1       5.278  -0.531  -2.064  1.00  0.00           H  
HETATM   36  H   UNL     1       6.109  -1.783  -1.109  1.00  0.00           H  
HETATM   37  H   UNL     1       4.330  -1.729  -1.149  1.00  0.00           H  
HETATM   38  H   UNL     1       6.517   1.306   0.928  1.00  0.00           H  
HETATM   39  H   UNL     1       7.386  -0.011   0.104  1.00  0.00           H  
HETATM   40  H   UNL     1       6.555   1.241  -0.851  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.803   2.415  -0.204  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.627   4.847   0.622  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.590   4.781  -1.156  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.643   5.906  -0.440  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.060   4.325  -1.143  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.146   4.681   0.955  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.820   0.425  -0.131  1.00  0.00           H  
CONECT    1    5    2                                                 
CONECT    2    1    7    3    3                                       
CONECT    3    2    2    4   20                                       
CONECT    4    5    5    3   47                                       
CONECT    5    1    6    4    4                                       
CONECT    6    8    5   12   12                                       
CONECT    7    2   13   26                                            
CONECT    8    9    9    6   27                                       
CONECT    9    8    8   10   28                                       
CONECT   10    9   11   11   29                                       
CONECT   11   10   10   12   30                                       
CONECT   12    6    6   11   31                                       
CONECT   13    7   14   15   15                                       
CONECT   14   13   16                                                 
CONECT   15   13   13                                                 
CONECT   16   14   19   18   17                                       
CONECT   17   16   32   33   34                                       
CONECT   18   16   35   36   37                                       
CONECT   19   16   38   39   40                                       
CONECT   20    3   21   22   22                                       
CONECT   21   23   20   41                                            
CONECT   22   20   20                                                 
CONECT   23   24   21   42   43                                       
CONECT   24   25   23   44   45                                       
CONECT   25   24   46                                                 
CONECT   26    7                                                      
CONECT   27    8                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   17                                                      
CONECT   33   17                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   21                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47    4                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
