COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.323  -1.215   2.301  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.633  -0.582   1.120  1.00  0.00           C  
HETATM    3  C   UNL     1       0.604   0.013   1.280  1.00  0.00           C  
HETATM    4  C   UNL     1       1.237   0.594   0.197  1.00  0.00           C  
HETATM    5  C   UNL     1       2.585   1.244   0.371  1.00  0.00           C  
HETATM    6  S   UNL     1       3.886   0.018   0.088  1.00  0.00           S  
HETATM    7  C   UNL     1       5.312   1.019   0.349  1.00  0.00           C  
HETATM    8  N   UNL     1       5.177   2.279   0.654  1.00  0.00           N  
HETATM    9  N   UNL     1       6.573   0.469   0.230  1.00  0.00           N  
HETATM   10  C   UNL     1       6.720  -0.831  -0.204  1.00  0.00           C  
HETATM   11  N   UNL     1       5.680  -1.505  -0.606  1.00  0.00           N  
HETATM   12  N   UNL     1       7.964  -1.416  -0.214  1.00  0.00           N  
HETATM   13  C   UNL     1       0.632   0.579  -1.046  1.00  0.00           C  
HETATM   14  C   UNL     1       1.322   1.212  -2.227  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.605  -0.017  -1.206  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.236  -0.601  -0.124  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.582  -1.256  -0.299  1.00  0.00           C  
HETATM   18  S   UNL     1      -3.888  -0.034  -0.021  1.00  0.00           S  
HETATM   19  C   UNL     1      -5.310  -1.040  -0.283  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.169  -2.300  -0.585  1.00  0.00           N  
HETATM   21  N   UNL     1      -6.572  -0.495  -0.168  1.00  0.00           N  
HETATM   22  C   UNL     1      -6.721   0.861   0.038  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.679   1.642   0.015  1.00  0.00           N  
HETATM   24  N   UNL     1      -7.970   1.388   0.266  1.00  0.00           N  
HETATM   25  H   UNL     1       2.691   2.058  -0.345  1.00  0.00           H  
HETATM   26  H   UNL     1       2.671   1.637   1.384  1.00  0.00           H  
HETATM   27  H   UNL     1       5.958   2.813   0.869  1.00  0.00           H  
HETATM   28  H   UNL     1       7.355   0.998   0.453  1.00  0.00           H  
HETATM   29  H   UNL     1       5.783  -2.420  -0.911  1.00  0.00           H  
HETATM   30  H   UNL     1       8.738  -0.914   0.084  1.00  0.00           H  
HETATM   31  H   UNL     1       8.067  -2.331  -0.520  1.00  0.00           H  
HETATM   32  H   UNL     1       1.946   0.470  -2.724  1.00  0.00           H  
HETATM   33  H   UNL     1       0.574   1.585  -2.928  1.00  0.00           H  
HETATM   34  H   UNL     1       1.944   2.039  -1.885  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.077  -0.029  -2.178  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.664  -1.652  -1.311  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.687  -2.069   0.419  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.950  -2.872  -0.658  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.354  -1.065  -0.231  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.784   2.595   0.159  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.747   0.807   0.283  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.075   2.342   0.410  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.947  -0.473   2.798  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.945  -2.042   1.958  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.576  -1.589   3.001  1.00  0.00           H  
HETATM   46  H   UNL     1       1.076   0.025   2.251  1.00  0.00           H  
CONECT    1    2   43   44   45                                       
CONECT    2    1    3    3   16                                       
CONECT    3    2    2    4   46                                       
CONECT    4    3    5   13   13                                       
CONECT    5    4    6   25   26                                       
CONECT    6    5    7                                                 
CONECT    7    6    8    8    9                                       
CONECT    8    7    7   27                                            
CONECT    9    7   10   28                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10   29                                            
CONECT   12   10   30   31                                            
CONECT   13    4    4   14   15                                       
CONECT   14   13   32   33   34                                       
CONECT   15   13   16   16   35                                       
CONECT   16    2   15   15   17                                       
CONECT   17   16   18   36   37                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   20   21                                       
CONECT   20   19   19   38                                            
CONECT   21   19   22   39                                            
CONECT   22   21   23   23   24                                       
CONECT   23   22   22   40                                            
CONECT   24   22   41   42                                            
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    8                                                      
CONECT   28    9                                                      
CONECT   29   11                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    3                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
