COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.223   0.513   0.182  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.948  -0.199   0.727  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.459   0.958   0.169  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.792  -1.248   1.044  1.00  0.00           C  
HETATM    5  C   UNL     1       4.982   0.558  -0.200  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.149  -1.143   0.806  1.00  0.00           C  
HETATM    7  C   UNL     1       4.451   0.379   2.137  1.00  0.00           C  
HETATM    8  C   UNL     1       5.394   0.459   1.125  1.00  0.00           C  
HETATM    9  C   UNL     1       5.407   0.725  -2.534  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.669  -2.325  -0.786  1.00  0.00           O  
HETATM   11  O   UNL     1       2.820  -1.623  -1.031  1.00  0.00           O  
HETATM   12  O   UNL     1      -5.322   2.207  -0.621  1.00  0.00           O  
HETATM   13  O   UNL     1       5.904   0.632  -1.197  1.00  0.00           O  
HETATM   14  O   UNL     1      -7.003   0.118   0.012  1.00  0.00           O  
HETATM   15  O   UNL     1       6.720   0.441   1.427  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.783  -0.911  -0.251  1.00  0.00           C  
HETATM   17  C   UNL     1       0.732  -0.919  -0.039  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.468  -0.321   0.983  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.275  -2.343  -0.472  1.00  0.00           C  
HETATM   20  C   UNL     1       1.417  -1.508  -1.274  1.00  0.00           C  
HETATM   21  C   UNL     1       2.694   0.494   0.512  1.00  0.00           C  
HETATM   22  C   UNL     1       3.630   0.575  -0.502  1.00  0.00           C  
HETATM   23  C   UNL     1       3.103   0.396   1.829  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.818   1.069  -0.072  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.668   0.014   0.247  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.392   3.249  -0.924  1.00  0.00           C  
HETATM   27  H   UNL     1       1.062   1.097  -0.725  1.00  0.00           H  
HETATM   28  H   UNL     1       0.671   0.964   1.007  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.798   1.776  -0.078  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.389  -2.150   1.480  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.806  -1.964   1.055  1.00  0.00           H  
HETATM   32  H   UNL     1       4.768   0.302   3.166  1.00  0.00           H  
HETATM   33  H   UNL     1       4.802  -0.153  -2.759  1.00  0.00           H  
HETATM   34  H   UNL     1       4.797   1.623  -2.633  1.00  0.00           H  
HETATM   35  H   UNL     1       6.245   0.778  -3.230  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.049  -3.201  -0.939  1.00  0.00           H  
HETATM   37  H   UNL     1       3.319  -1.991  -1.773  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.505   0.487   0.752  1.00  0.00           H  
HETATM   39  H   UNL     1       7.100   1.317   1.581  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.025  -0.305  -1.125  1.00  0.00           H  
HETATM   41  H   UNL     1       0.973  -1.524   0.834  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.054   0.665   1.193  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.300  -0.975   1.839  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.114  -2.926   0.434  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.723  -2.793  -1.297  1.00  0.00           H  
HETATM   46  H   UNL     1       1.249  -0.854  -2.130  1.00  0.00           H  
HETATM   47  H   UNL     1       1.002  -2.494  -1.483  1.00  0.00           H  
HETATM   48  H   UNL     1       3.307   0.652  -1.530  1.00  0.00           H  
HETATM   49  H   UNL     1       2.369   0.333   2.618  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.923   4.097  -1.355  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.888   3.562  -0.010  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.654   2.881  -1.637  1.00  0.00           H  
CONECT    1   21   17   27   28                                       
CONECT    2   18    4    4    3                                       
CONECT    3    2   24   24   29                                       
CONECT    4    2    2    6   30                                       
CONECT    5   13    8    8   22                                       
CONECT    6    4   25   25   31                                       
CONECT    7    8   23   23   32                                       
CONECT    8   15    5    5    7                                       
CONECT    9   13   33   34   35                                       
CONECT   10   19   36                                                 
CONECT   11   20   37                                                 
CONECT   12   24   26                                                 
CONECT   13    9    5                                                 
CONECT   14   25   38                                                 
CONECT   15    8   39                                                 
CONECT   16   17   18   19   40                                       
CONECT   17   20    1   16   41                                       
CONECT   18   16    2   42   43                                       
CONECT   19   10   16   44   45                                       
CONECT   20   11   17   46   47                                       
CONECT   21   22   22   23    1                                       
CONECT   22    5   21   21   48                                       
CONECT   23    7    7   21   49                                       
CONECT   24    3    3   25   12                                       
CONECT   25    6    6   24   14                                       
CONECT   26   12   50   51   52                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
