COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.153   0.533  -0.955  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.339  -0.507  -0.310  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.903  -0.055  -0.247  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.633   1.123  -0.347  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.860  -0.751   1.109  1.00  0.00           C  
HETATM    6  C   UNL     1       0.775   3.415  -0.188  1.00  0.00           C  
HETATM    7  C   UNL     1       6.063  -0.291   0.510  1.00  0.00           C  
HETATM    8  C   UNL     1       4.007   0.460   1.230  1.00  0.00           C  
HETATM    9  C   UNL     1       4.103  -1.059  -0.637  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.085  -0.113   0.401  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.565   0.131  -1.017  1.00  0.00           C  
HETATM   12  C   UNL     1       1.674   2.207  -0.132  1.00  0.00           C  
HETATM   13  C   UNL     1       5.486  -1.056  -0.497  1.00  0.00           C  
HETATM   14  C   UNL     1       3.346  -0.276   0.243  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.596  -0.545  -0.023  1.00  0.00           C  
HETATM   16  C   UNL     1       1.112   0.909  -0.043  1.00  0.00           C  
HETATM   17  C   UNL     1       1.876  -0.228   0.129  1.00  0.00           C  
HETATM   18  N   UNL     1       6.286  -1.812  -1.358  1.00  0.00           N  
HETATM   19  N   UNL     1       5.319   0.428   1.328  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.201   0.682  -0.119  1.00  0.00           N  
HETATM   21  N   UNL     1      -6.272  -1.153   1.047  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.918  -0.961  -0.081  1.00  0.00           N  
HETATM   23  O   UNL     1       2.880   2.345  -0.165  1.00  0.00           O  
HETATM   24  S   UNL     1       0.788  -1.612   0.183  1.00  0.00           S  
HETATM   25  H   UNL     1      -5.049   1.418  -0.482  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.406  -1.430  -0.886  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.276  -1.543   1.579  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.768   0.165   1.692  1.00  0.00           H  
HETATM   29  H   UNL     1       0.579   3.769   0.825  1.00  0.00           H  
HETATM   30  H   UNL     1       1.263   4.205  -0.760  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.166   3.147  -0.667  1.00  0.00           H  
HETATM   32  H   UNL     1       7.137  -0.288   0.626  1.00  0.00           H  
HETATM   33  H   UNL     1       3.434   1.061   1.921  1.00  0.00           H  
HETATM   34  H   UNL     1       3.625  -1.641  -1.413  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.019   0.810   0.977  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.124  -0.440   0.356  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.148   0.922  -1.487  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.657  -0.785  -1.601  1.00  0.00           H  
HETATM   39  H   UNL     1       5.877  -2.344  -2.059  1.00  0.00           H  
HETATM   40  H   UNL     1       7.250  -1.806  -1.255  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.375  -2.039   0.574  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.135  -1.903  -0.001  1.00  0.00           H  
CONECT    1    2   11   25                                            
CONECT    2    3    1    5   26                                       
CONECT    3   22    4    4    2                                       
CONECT    4    3    3                                                 
CONECT    5    2   21   27   28                                       
CONECT    6   12   29   30   31                                       
CONECT    7   13   19   19   32                                       
CONECT    8   14   14   19   33                                       
CONECT    9   13   13   14   34                                       
CONECT   10   11   21   35   36                                       
CONECT   11    1   10   37   38                                       
CONECT   12    6   16   23   23                                       
CONECT   13   18    9    9    7                                       
CONECT   14    9   17    8    8                                       
CONECT   15   24   20   20   22                                       
CONECT   16   17   17   12   20                                       
CONECT   17   14   16   16   24                                       
CONECT   18   13   39   40                                            
CONECT   19    7    7    8                                            
CONECT   20   16   15   15                                            
CONECT   21    5   10   41                                            
CONECT   22   15    3   42                                            
CONECT   23   12   12                                                 
CONECT   24   17   15                                                 
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
