COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.224   0.061   0.512  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.844   0.090   0.593  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.111  -1.001   1.330  1.00  0.00           C  
HETATM    4  N   UNL     1       5.332  -0.199   0.268  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.551  -1.995   0.339  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.295  -1.921  -0.114  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.017  -3.017  -1.105  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.411  -3.555  -1.507  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.266  -3.168  -0.277  1.00  0.00           C  
HETATM   10  C   UNL     1       0.622  -0.865   0.362  1.00  0.00           C  
HETATM   11  C   UNL     1       0.205  -0.104   1.469  1.00  0.00           C  
HETATM   12  C   UNL     1       1.015   0.917   1.935  1.00  0.00           C  
HETATM   13  C   UNL     1       2.230   1.166   1.322  1.00  0.00           C  
HETATM   14  O   UNL     1       4.520   2.082  -0.211  1.00  0.00           O  
HETATM   15  S   UNL     1       4.204   0.730  -0.512  1.00  0.00           S  
HETATM   16  O   UNL     1       4.119   0.229  -1.839  1.00  0.00           O  
HETATM   17  C   UNL     1       2.646   0.403   0.244  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.001  -0.417   2.096  1.00  0.00           N  
HETATM   19  C   UNL     1       1.845  -0.613  -0.241  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.135   1.117  -0.003  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.805   2.118  -0.679  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.898   1.057  -0.169  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.189   2.092  -0.762  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.851   3.076  -1.426  1.00  0.00           O  
HETATM   25  H   UNL     1      -4.775  -0.743   0.977  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.797  -1.507   2.010  1.00  0.00           H  
HETATM   27  H   UNL     1       5.062  -0.780   0.996  1.00  0.00           H  
HETATM   28  H   UNL     1       6.262  -0.161  -0.004  1.00  0.00           H  
HETATM   29  H   UNL     1       0.500  -2.617  -1.977  1.00  0.00           H  
HETATM   30  H   UNL     1       0.576  -3.805  -0.641  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.775  -3.060  -2.407  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.387  -4.636  -1.641  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.312  -3.997   0.429  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.270  -2.878  -0.589  1.00  0.00           H  
HETATM   35  H   UNL     1       0.700   1.519   2.775  1.00  0.00           H  
HETATM   36  H   UNL     1       2.860   1.963   1.688  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.108  -0.248   3.045  1.00  0.00           H  
HETATM   38  H   UNL     1       2.169  -1.207  -1.084  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.057   1.137   0.062  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.251   2.923  -1.140  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.975   1.031  -0.236  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.989   2.891  -2.366  1.00  0.00           H  
CONECT    1   22   22    2   25                                       
CONECT    2   20   20    1    3                                       
CONECT    3    2    5   18   26                                       
CONECT    4   15   27   28                                            
CONECT    5    9    3    6    6                                       
CONECT    6    5    5    7   10                                       
CONECT    7    8    6   29   30                                       
CONECT    8    9    7   31   32                                       
CONECT    9    8    5   33   34                                       
CONECT   10    6   11   11   19                                       
CONECT   11   18   10   10   12                                       
CONECT   12   11   13   13   35                                       
CONECT   13   12   12   17   36                                       
CONECT   14   15   15                                                 
CONECT   15   17   14   14   16                                       
CONECT   15   16    4                                                 
CONECT   16   15   15                                                 
CONECT   17   19   19   13   15                                       
CONECT   18    3   11   37                                            
CONECT   19   10   17   17   38                                       
CONECT   20   21    2    2   39                                       
CONECT   21   23   23   20   40                                       
CONECT   22   23    1    1   41                                       
CONECT   23   24   21   21   22                                       
CONECT   24   23   42                                                 
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
