COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.854  -1.011  -1.162  1.00  0.00           C  
HETATM    2  C   UNL     1       3.703  -0.419   0.350  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.226   4.190   1.323  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.954   3.726  -0.109  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.101   2.484  -0.082  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.707   2.571  -0.095  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.060   3.848  -0.135  1.00  0.00           C  
HETATM    8  C   UNL     1       0.054   1.385  -0.069  1.00  0.00           C  
HETATM    9  C   UNL     1       2.224  -0.273   0.099  1.00  0.00           C  
HETATM   10  C   UNL     1       4.151  -1.100   1.466  1.00  0.00           C  
HETATM   11  C   UNL     1       5.508  -1.234   1.696  1.00  0.00           C  
HETATM   12  C   UNL     1       6.416  -0.685   0.811  1.00  0.00           C  
HETATM   13  C   UNL     1       5.968  -0.003  -0.305  1.00  0.00           C  
HETATM   14  C   UNL     1       4.612   0.125  -0.539  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.855   0.078  -0.013  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.950  -2.009  -1.087  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.706  -3.339  -1.090  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.468  -4.059   0.240  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.923  -3.155   1.389  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.161  -1.830   1.321  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.686   1.216  -0.038  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.110   1.074  -0.017  1.00  0.00           C  
HETATM   23  N   UNL     1       0.453   4.861  -0.166  1.00  0.00           N  
HETATM   24  N   UNL     1       1.820  -0.358  -2.340  1.00  0.00           N  
HETATM   25  N   UNL     1      -0.537   0.200  -0.032  1.00  0.00           N  
HETATM   26  N   UNL     1      -2.421  -1.180   0.030  1.00  0.00           N  
HETATM   27  N   UNL     1      -3.238  -5.310   0.265  1.00  0.00           N  
HETATM   28  N   UNL     1      -5.241   0.961   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1       1.591  -2.194  -1.116  1.00  0.00           O  
HETATM   30  S   UNL     1       1.813   1.480  -0.086  1.00  0.00           S  
HETATM   31  H   UNL     1      -3.842   5.088   1.304  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.749   3.402   1.867  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.280   4.408   1.820  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.899   3.508  -0.606  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.431   4.514  -0.653  1.00  0.00           H  
HETATM   36  H   UNL     1       1.670  -0.689   0.940  1.00  0.00           H  
HETATM   37  H   UNL     1       3.441  -1.529   2.158  1.00  0.00           H  
HETATM   38  H   UNL     1       5.857  -1.766   2.568  1.00  0.00           H  
HETATM   39  H   UNL     1       7.476  -0.788   0.991  1.00  0.00           H  
HETATM   40  H   UNL     1       6.678   0.426  -0.997  1.00  0.00           H  
HETATM   41  H   UNL     1       4.262   0.658  -1.411  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.882  -2.197  -0.973  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.129  -1.487  -2.027  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.772  -3.152  -1.218  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.345  -3.960  -1.911  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.407  -4.282   0.349  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.993  -2.965   1.301  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.717  -3.645   2.341  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.493  -1.178   2.129  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.093  -2.020   1.423  1.00  0.00           H  
HETATM   51  H   UNL     1       2.111   0.566  -2.391  1.00  0.00           H  
HETATM   52  H   UNL     1       1.505  -0.812  -3.137  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.956  -5.924  -0.484  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.153  -5.769   1.160  1.00  0.00           H  
CONECT    1   29   29   24    9                                       
CONECT    2   14   14   10    9                                       
CONECT    3    4   31   32   33                                       
CONECT    4    5    3   34   35                                       
CONECT    5    6    4   21   21                                       
CONECT    6    7    8    8    5                                       
CONECT    7   23   23   23    6                                       
CONECT    8   30    6    6   25                                       
CONECT    9    2    1   30   36                                       
CONECT   10   11   11    2   37                                       
CONECT   11   12   10   10   38                                       
CONECT   12   13   13   11   39                                       
CONECT   13   12   12   14   40                                       
CONECT   14   13    2    2   41                                       
CONECT   15   25   25   21   26                                       
CONECT   16   17   26   42   43                                       
CONECT   17   18   16   44   45                                       
CONECT   18   27   19   17   46                                       
CONECT   19   18   20   47   48                                       
CONECT   20   19   26   49   50                                       
CONECT   21    5    5   15   22                                       
CONECT   22   21   28   28   28                                       
CONECT   23    7    7    7                                            
CONECT   24    1   51   52                                            
CONECT   25    8   15   15                                            
CONECT   26   15   20   16                                            
CONECT   27   18   53   54                                            
CONECT   28   22   22   22                                            
CONECT   29    1    1                                                 
CONECT   30    9    8                                                 
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
