COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.760  -0.127   0.491  1.00  0.00           C  
HETATM    2  C   UNL     1       2.149   2.499   0.743  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.074  -1.332   0.608  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.008  -1.607  -0.231  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.620  -0.674  -1.197  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.198  -3.958  -0.419  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.392  -5.257  -0.336  1.00  0.00           C  
HETATM    8  C   UNL     1       1.061  -4.272   1.294  1.00  0.00           C  
HETATM    9  C   UNL     1       0.269  -2.963   1.227  1.00  0.00           C  
HETATM   10  C   UNL     1       2.199   0.939  -1.066  1.00  0.00           C  
HETATM   11  C   UNL     1       1.576   1.978  -0.398  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.831   0.138   1.342  1.00  0.00           N  
HETATM   13  N   UNL     1      -0.319  -2.820  -0.113  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.230  -0.851   2.346  1.00  0.00           C  
HETATM   15  N   UNL     1       0.458  -0.954  -2.046  1.00  0.00           N  
HETATM   16  N   UNL     1      -3.042   2.019  -0.594  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.620   2.990  -1.607  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.673   3.358   0.111  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.082   2.301   0.217  1.00  0.00           C  
HETATM   20  C   UNL     1       3.345   1.987   1.230  1.00  0.00           C  
HETATM   21  C   UNL     1       3.920   2.611   2.474  1.00  0.00           C  
HETATM   22  C   UNL     1       4.960   1.689   3.106  1.00  0.00           C  
HETATM   23  C   UNL     1       5.962   1.275   2.022  1.00  0.00           C  
HETATM   24  C   UNL     1       5.254   0.338   1.045  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.500   1.305   1.242  1.00  0.00           C  
HETATM   26  C   UNL     1       3.961   0.948   0.570  1.00  0.00           C  
HETATM   27  C   UNL     1       3.382   0.423  -0.579  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.300   0.525  -1.315  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.368   0.807  -0.470  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.435   1.540   1.982  1.00  0.00           O  
HETATM   31  O   UNL     1       0.198  -5.363   0.962  1.00  0.00           O  
HETATM   32  O   UNL     1       0.648   1.284  -3.070  1.00  0.00           O  
HETATM   33  O   UNL     1       2.529  -0.353  -3.247  1.00  0.00           O  
HETATM   34  S   UNL     1       1.474   0.264  -2.523  1.00  0.00           S  
HETATM   35  H   UNL     1       1.665   3.314   1.261  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.372  -2.053   1.354  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.602  -3.845  -1.425  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.016  -3.990   0.300  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.053  -6.107  -0.506  1.00  0.00           H  
HETATM   40  H   UNL     1       0.392  -5.248  -1.093  1.00  0.00           H  
HETATM   41  H   UNL     1       1.888  -4.234   0.584  1.00  0.00           H  
HETATM   42  H   UNL     1       1.452  -4.410   2.302  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.525  -2.979   1.974  1.00  0.00           H  
HETATM   44  H   UNL     1       0.937  -2.124   1.423  1.00  0.00           H  
HETATM   45  H   UNL     1       0.645   2.379  -0.770  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.685  -0.669   3.272  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.301  -0.768   2.532  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.001  -1.852   1.981  1.00  0.00           H  
HETATM   49  H   UNL     1       0.611  -1.861  -2.354  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.260   3.871  -1.555  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.586   3.280  -1.423  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.701   2.540  -2.597  1.00  0.00           H  
HETATM   53  H   UNL     1       4.391   3.560   2.216  1.00  0.00           H  
HETATM   54  H   UNL     1       3.118   2.792   3.190  1.00  0.00           H  
HETATM   55  H   UNL     1       5.482   2.216   3.905  1.00  0.00           H  
HETATM   56  H   UNL     1       4.469   0.803   3.510  1.00  0.00           H  
HETATM   57  H   UNL     1       6.316   2.159   1.492  1.00  0.00           H  
HETATM   58  H   UNL     1       6.806   0.759   2.479  1.00  0.00           H  
HETATM   59  H   UNL     1       5.902   0.157   0.187  1.00  0.00           H  
HETATM   60  H   UNL     1       5.043  -0.608   1.542  1.00  0.00           H  
HETATM   61  H   UNL     1       3.868  -0.387  -1.101  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.999   1.245  -2.062  1.00  0.00           H  
CONECT    1    3   12   29   29                                       
CONECT    2   11   11   20   35                                       
CONECT    3    4    4    1   36                                       
CONECT    4   13    3    3    5                                       
CONECT    5    4   15   28   28                                       
CONECT    6    7   13   37   38                                       
CONECT    7   31    6   39   40                                       
CONECT    8   31    9   41   42                                       
CONECT    9    8   13   43   44                                       
CONECT   10   11   34   27   27                                       
CONECT   11    2    2   10   45                                       
CONECT   12   14    1   25                                            
CONECT   13    9    6    4                                            
CONECT   14   12   46   47   48                                       
CONECT   15    5   34   49                                            
CONECT   16   29   19   17                                            
CONECT   17   16   50   51   52                                       
CONECT   18   19   19                                                 
CONECT   19   25   16   18   18                                       
CONECT   20    2   21   26   26                                       
CONECT   21   20   22   53   54                                       
CONECT   22   21   23   55   56                                       
CONECT   23   22   24   57   58                                       
CONECT   24   26   23   59   60                                       
CONECT   25   12   30   30   19                                       
CONECT   26   20   20   27   24                                       
CONECT   27   10   10   26   61                                       
CONECT   28    5    5   29   62                                       
CONECT   29    1    1   28   16                                       
CONECT   30   25   25                                                 
CONECT   31    8    7                                                 
CONECT   32   34   34                                                 
CONECT   33   34   34                                                 
CONECT   34   15   32   32   10                                       
CONECT   34   33   33                                                 
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
