COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.019  -0.002   1.756  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.626  -0.243   0.530  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.993  -0.046   0.385  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.745   0.388   1.457  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.139   0.626   2.677  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.778   0.432   2.826  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.650  -0.307  -0.946  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.683   0.053  -2.073  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.337  -0.567  -1.811  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.864  -0.682  -0.557  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.543  -1.272  -0.328  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.497  -0.188  -0.355  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.823   0.965  -0.546  1.00  0.00           O  
HETATM   14  N   UNL     1       0.801  -0.498  -0.166  1.00  0.00           N  
HETATM   15  C   UNL     1       1.766   0.502  -0.191  1.00  0.00           C  
HETATM   16  S   UNL     1       1.437   2.208  -0.448  1.00  0.00           S  
HETATM   17  C   UNL     1       3.137   2.624  -0.315  1.00  0.00           C  
HETATM   18  C   UNL     1       3.880   1.524  -0.091  1.00  0.00           C  
HETATM   19  C   UNL     1       3.101   0.301  -0.013  1.00  0.00           C  
HETATM   20  C   UNL     1       3.695  -1.025   0.232  1.00  0.00           C  
HETATM   21  N   UNL     1       5.016  -1.291   0.417  1.00  0.00           N  
HETATM   22  N   UNL     1       5.112  -2.678   0.614  1.00  0.00           N  
HETATM   23  C   UNL     1       3.900  -3.161   0.542  1.00  0.00           C  
HETATM   24  N   UNL     1       3.042  -2.169   0.317  1.00  0.00           N  
HETATM   25  C   UNL     1       5.304   1.557   0.060  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.670  -0.967  -2.742  1.00  0.00           O  
HETATM   27  N   UNL     1       6.433   1.584   0.181  1.00  0.00           N  
HETATM   28  H   UNL     1      -1.957  -0.159   1.874  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.808   0.542   1.344  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.729   0.966   3.516  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.308   0.614   3.781  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.916  -1.362  -1.018  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.551   0.301  -1.031  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.075  -0.320  -3.020  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.578   1.136  -2.128  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.529  -1.767   0.643  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.330  -2.001  -1.110  1.00  0.00           H  
HETATM   38  H   UNL     1       1.062  -1.420  -0.014  1.00  0.00           H  
HETATM   39  H   UNL     1       3.533   3.625  -0.402  1.00  0.00           H  
HETATM   40  H   UNL     1       3.635  -4.202   0.651  1.00  0.00           H  
HETATM   41  H   UNL     1       5.746  -0.652   0.414  1.00  0.00           H  
CONECT    1    2    2    6   28                                       
CONECT    2    1    1   10    3                                       
CONECT    3    2    7    4    4                                       
CONECT    4    3    3    5   29                                       
CONECT    5    4    6    6   30                                       
CONECT    6    1    5    5   31                                       
CONECT    7    3    8   32   33                                       
CONECT    8    7    9   34   35                                       
CONECT    9    8   26   26   10                                       
CONECT   10    2    9   11                                            
CONECT   11   10   12   36   37                                       
CONECT   12   11   14   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   38                                            
CONECT   15   14   19   19   16                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   18   39                                       
CONECT   18   17   17   19   25                                       
CONECT   19   15   15   18   20                                       
CONECT   20   19   24   24   21                                       
CONECT   21   20   22   41                                            
CONECT   22   21   23   23                                            
CONECT   23   22   22   24   40                                       
CONECT   24   20   20   23                                            
CONECT   25   18   27   27   27                                       
CONECT   26    9    9                                                 
CONECT   27   25   25   25                                            
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   14                                                      
CONECT   39   17                                                      
CONECT   40   23                                                      
CONECT   41   21                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
