COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.747   0.449  -0.030  1.00  0.00           C  
HETATM    2  C   UNL     1       5.264   1.560  -0.321  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.965   0.994   0.856  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.231   0.231   0.411  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.288  -1.277   0.667  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.282  -0.512  -0.890  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.804   0.056   0.442  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.374   0.177   0.307  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.096   0.955   0.126  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.902   0.003   0.214  1.00  0.00           C  
HETATM   11  C   UNL     1       0.396   0.793   0.031  1.00  0.00           C  
HETATM   12  C   UNL     1       2.884   1.813  -0.245  1.00  0.00           C  
HETATM   13  C   UNL     1       4.142   2.365  -0.390  1.00  0.00           C  
HETATM   14  C   UNL     1       5.130   0.202  -0.101  1.00  0.00           C  
HETATM   15  C   UNL     1       7.020  -0.811   1.741  1.00  0.00           C  
HETATM   16  C   UNL     1       3.875  -0.356   0.045  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.780  -0.729  -0.705  1.00  0.00           C  
HETATM   18  N   UNL     1      -4.561   0.812   0.266  1.00  0.00           N  
HETATM   19  O   UNL     1      -5.620  -0.738  -1.874  1.00  0.00           O  
HETATM   20  O   UNL     1       1.511  -0.097   0.113  1.00  0.00           O  
HETATM   21  O   UNL     1       6.099  -2.107  -0.402  1.00  0.00           O  
HETATM   22  O   UNL     1       7.535  -0.129  -0.786  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.333  -1.022   0.488  1.00  0.00           O  
HETATM   24  S   UNL     1       6.563  -0.821  -0.014  1.00  0.00           S  
HETATM   25  H   UNL     1       6.246   1.994  -0.435  1.00  0.00           H  
HETATM   26  H   UNL     1      -6.890   1.949   0.337  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.968   1.145   1.936  1.00  0.00           H  
HETATM   28  H   UNL     1      -9.160   0.797   0.335  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.558  -1.697   1.358  1.00  0.00           H  
HETATM   30  H   UNL     1      -9.271  -1.747   0.680  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.671  -0.740   1.176  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.102   1.441  -0.850  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.017   1.710   0.908  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.896  -0.484   1.190  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.981  -0.753  -0.568  1.00  0.00           H  
HETATM   36  H   UNL     1       0.390   1.279  -0.945  1.00  0.00           H  
HETATM   37  H   UNL     1       0.475   1.548   0.813  1.00  0.00           H  
HETATM   38  H   UNL     1       2.008   2.442  -0.299  1.00  0.00           H  
HETATM   39  H   UNL     1       4.249   3.427  -0.557  1.00  0.00           H  
HETATM   40  H   UNL     1       7.907  -1.427   1.889  1.00  0.00           H  
HETATM   41  H   UNL     1       7.230   0.211   2.056  1.00  0.00           H  
HETATM   42  H   UNL     1       6.197  -1.212   2.333  1.00  0.00           H  
HETATM   43  H   UNL     1       3.771  -1.417   0.217  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.375  -0.906  -1.600  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.594   1.771   0.122  1.00  0.00           H  
CONECT    1   16   16   12   20                                       
CONECT    2   14   14   13   25                                       
CONECT    3    4    7   26   27                                       
CONECT    4   17    5    3   28                                       
CONECT    5   17    4   29   30                                       
CONECT    6   19   19   17    7                                       
CONECT    7    6    3   18   31                                       
CONECT    8   23   23   18    9                                       
CONECT    9   10    8   32   33                                       
CONECT   10   11    9   34   35                                       
CONECT   11   20   10   36   37                                       
CONECT   12   13   13    1   38                                       
CONECT   13    2   12   12   39                                       
CONECT   14   24    2    2   16                                       
CONECT   15   24   40   41   42                                       
CONECT   16   14    1    1   43                                       
CONECT   17    5    6    4   44                                       
CONECT   18    7    8   45                                            
CONECT   19    6    6                                                 
CONECT   20    1   11                                                 
CONECT   21   24   24                                                 
CONECT   22   24   24                                                 
CONECT   23    8    8                                                 
CONECT   24   21   21   22   22                                       
CONECT   24   15   14                                                 
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
