COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.343   1.530  -0.116  1.00  0.00           C  
HETATM    2  C   UNL     1       2.446   0.300  -0.090  1.00  0.00           C  
HETATM    3  C   UNL     1       3.770   0.323   0.677  1.00  0.00           C  
HETATM    4  C   UNL     1       4.653  -1.975   0.681  1.00  0.00           C  
HETATM    5  C   UNL     1       5.667  -2.814  -0.065  1.00  0.00           C  
HETATM    6  C   UNL     1       6.252  -1.836  -1.104  1.00  0.00           C  
HETATM    7  C   UNL     1       5.506  -0.547  -0.836  1.00  0.00           C  
HETATM    8  N   UNL     1       1.570   1.360   0.415  1.00  0.00           N  
HETATM    9  N   UNL     1       4.646  -0.737   0.172  1.00  0.00           N  
HETATM   10  O   UNL     1      -0.038   0.802  -1.008  1.00  0.00           O  
HETATM   11  O   UNL     1       3.953  -2.364   1.592  1.00  0.00           O  
HETATM   12  O   UNL     1       5.663   0.493  -1.438  1.00  0.00           O  
HETATM   13  H   UNL     1       2.638   0.461  -1.151  1.00  0.00           H  
HETATM   14  H   UNL     1       1.963  -0.668   0.049  1.00  0.00           H  
HETATM   15  H   UNL     1       4.253   1.290   0.539  1.00  0.00           H  
HETATM   16  H   UNL     1       3.578   0.161   1.738  1.00  0.00           H  
HETATM   17  H   UNL     1       6.446  -3.166   0.612  1.00  0.00           H  
HETATM   18  H   UNL     1       5.180  -3.654  -0.560  1.00  0.00           H  
HETATM   19  H   UNL     1       7.321  -1.701  -0.944  1.00  0.00           H  
HETATM   20  H   UNL     1       6.058  -2.191  -2.116  1.00  0.00           H  
HETATM   21  H   UNL     1       1.873   1.939   1.132  1.00  0.00           H  
HETATM   22  C   UNL     1      -0.558   2.620   0.404  1.00  0.00           C  
HETATM   23  S   UNL     1      -2.124   2.592  -0.504  1.00  0.00           S  
HETATM   24  C   UNL     1      -2.660   0.954  -0.139  1.00  0.00           C  
HETATM   25  S   UNL     1      -4.254   0.412  -0.659  1.00  0.00           S  
HETATM   26  C   UNL     1      -4.233  -1.282  -0.023  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.555  -1.972  -0.365  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.538  -3.404   0.173  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.860  -4.094  -0.169  1.00  0.00           C  
HETATM   30  S   UNL     1      -1.632  -0.112   0.720  1.00  0.00           S  
HETATM   31  C   UNL     1      -0.828   2.393   1.893  1.00  0.00           C  
HETATM   32  C   UNL     1       0.120   3.978   0.210  1.00  0.00           C  
HETATM   33  H   UNL     1      -3.408  -1.831  -0.477  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.103  -1.262   1.059  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.380  -1.423   0.090  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.685  -1.992  -1.447  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.713  -3.953  -0.282  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.408  -3.384   1.255  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.684  -3.545   0.286  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.990  -4.114  -1.251  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.847  -5.114   0.214  1.00  0.00           H  
HETATM   42  H   UNL     1       0.098   2.522   2.454  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.567   3.113   2.242  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.206   1.382   2.043  1.00  0.00           H  
HETATM   45  H   UNL     1       0.290   4.150  -0.853  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.522   4.764   0.608  1.00  0.00           H  
HETATM   47  H   UNL     1       1.074   3.986   0.737  1.00  0.00           H  
CONECT    1    8   10   10   22                                       
CONECT    2    3    8   13   14                                       
CONECT    3    9    2   15   16                                       
CONECT    4    9   11   11    5                                       
CONECT    5    4    6   17   18                                       
CONECT    6    7    5   19   20                                       
CONECT    7   12   12    9    6                                       
CONECT    8    2    1   21                                            
CONECT    9    3    7    4                                            
CONECT   10    1    1                                                 
CONECT   11    4    4                                                 
CONECT   12    7    7                                                 
CONECT   13    2                                                      
CONECT   14    2                                                      
CONECT   15    3                                                      
CONECT   16    3                                                      
CONECT   17    5                                                      
CONECT   18    5                                                      
CONECT   19    6                                                      
CONECT   20    6                                                      
CONECT   21    8                                                      
CONECT   22    1   23   31   32                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   30   30                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   33   34                                       
CONECT   27   26   28   35   36                                       
CONECT   28   27   29   37   38                                       
CONECT   29   28   39   40   41                                       
CONECT   30   24   24                                                 
CONECT   31   22   42   43   44                                       
CONECT   32   22   45   46   47                                       
CONECT   33   26                                                      
CONECT   34   26                                                      
CONECT   35   27                                                      
CONECT   36   27                                                      
CONECT   37   28                                                      
CONECT   38   28                                                      
CONECT   39   29                                                      
CONECT   40   29                                                      
CONECT   41   29                                                      
CONECT   42   31                                                      
CONECT   43   31                                                      
CONECT   44   31                                                      
CONECT   45   32                                                      
CONECT   46   32                                                      
CONECT   47   32                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
