COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.881  -1.410   0.222  1.00  0.00           C  
HETATM    2  N   UNL     1       1.419  -1.085  -0.133  1.00  0.00           N  
HETATM    3  C   UNL     1       2.603  -0.406  -0.093  1.00  0.00           C  
HETATM    4  C   UNL     1       1.659   1.892   0.080  1.00  0.00           C  
HETATM    5  C   UNL     1       1.826   3.257   0.178  1.00  0.00           C  
HETATM    6  C   UNL     1       3.097   3.804   0.208  1.00  0.00           C  
HETATM    7  C   UNL     1       4.060   1.614   0.041  1.00  0.00           C  
HETATM    8  C   UNL     1       6.431   1.451   0.010  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.598   2.601  -0.331  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.128   2.176  -0.344  1.00  0.00           C  
HETATM   11  O   UNL     1      -6.024   0.807   0.052  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.778   0.269   0.093  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.607  -1.057   0.470  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.344  -1.606   0.513  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.234  -0.827   0.177  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.410   0.507  -0.201  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.677   1.046  -0.246  1.00  0.00           C  
HETATM   18  N   UNL     1       0.100  -0.641  -0.098  1.00  0.00           N  
HETATM   19  N   UNL     1       3.564  -1.307  -0.166  1.00  0.00           N  
HETATM   20  N   UNL     1       3.057  -2.492  -0.245  1.00  0.00           N  
HETATM   21  C   UNL     1       1.761  -2.417  -0.225  1.00  0.00           C  
HETATM   22  S   UNL     1       0.540  -3.690  -0.284  1.00  0.00           S  
HETATM   23  C   UNL     1      -0.769  -2.844   0.642  1.00  0.00           C  
HETATM   24  C   UNL     1       2.775   1.057   0.011  1.00  0.00           C  
HETATM   25  C   UNL     1       4.210   2.988   0.140  1.00  0.00           C  
HETATM   26  O   UNL     1       5.153   0.811  -0.025  1.00  0.00           O  
HETATM   27  H   UNL     1       0.665   1.468   0.062  1.00  0.00           H  
HETATM   28  H   UNL     1       0.961   3.903   0.231  1.00  0.00           H  
HETATM   29  H   UNL     1       3.220   4.874   0.285  1.00  0.00           H  
HETATM   30  H   UNL     1       6.532   2.007   0.942  1.00  0.00           H  
HETATM   31  H   UNL     1       7.216   0.697  -0.050  1.00  0.00           H  
HETATM   32  H   UNL     1       6.518   2.135  -0.833  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.677   3.645  -0.632  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.162   1.978  -1.025  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.002   2.481   0.674  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.724   2.295  -1.349  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.564   2.798   0.351  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.466  -1.658   0.729  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.213  -2.637   0.806  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.555   1.113  -0.461  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.814   2.077  -0.539  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.541  -2.888   1.707  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.719  -3.346   0.459  1.00  0.00           H  
HETATM   44  H   UNL     1       5.199   3.421   0.162  1.00  0.00           H  
CONECT    1   18   18   23   15                                       
CONECT    2    3   21   18                                            
CONECT    3   19   19   24    2                                       
CONECT    4    5    5   24   27                                       
CONECT    5    4    4    6   28                                       
CONECT    6    5   25   25   29                                       
CONECT    7   24   24   25   26                                       
CONECT    8   26   30   31   32                                       
CONECT    9   10   33   34   35                                       
CONECT   10    9   11   36   37                                       
CONECT   11   12   10                                                 
CONECT   12   17   17   13   11                                       
CONECT   13   14   14   12   38                                       
CONECT   14   15   13   13   39                                       
CONECT   15    1   16   16   14                                       
CONECT   16   15   15   17   40                                       
CONECT   17   16   12   12   41                                       
CONECT   18    2    1    1                                            
CONECT   19   20    3    3                                            
CONECT   20   19   21   21                                            
CONECT   21   20   20    2   22                                       
CONECT   22   21   23                                                 
CONECT   23   22    1   42   43                                       
CONECT   24    4    3    7    7                                       
CONECT   25    6    6    7   44                                       
CONECT   26    8    7                                                 
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   25                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
