COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.141   0.632  -0.612  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.354   1.789  -0.630  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.685  -0.513   0.050  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.453   0.622  -1.285  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.142   1.800  -0.002  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.472  -0.501   0.678  1.00  0.00           C  
HETATM    7  O   UNL     1      -9.138  -0.382  -1.265  1.00  0.00           O  
HETATM    8  O   UNL     1      -8.892   1.725  -1.923  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.686   0.655   0.660  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.943   1.508   3.069  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.179   1.483   2.414  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.376   0.668   1.339  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.362  -0.145   0.882  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.145  -0.130   1.517  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.931   0.708   2.627  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.320  -0.982  -0.096  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.131  -1.557  -0.180  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.332  -1.035   0.848  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.720  -2.566  -1.178  1.00  0.00           C  
HETATM   20  C   UNL     1       1.101  -1.383   1.158  1.00  0.00           C  
HETATM   21  C   UNL     1       2.032  -0.448   0.383  1.00  0.00           C  
HETATM   22  C   UNL     1       3.487  -0.801   0.699  1.00  0.00           C  
HETATM   23  O   UNL     1       4.357   0.072  -0.026  1.00  0.00           O  
HETATM   24  O   UNL     1       0.405  -3.022  -1.151  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.593  -2.980  -2.116  1.00  0.00           O  
HETATM   26  C   UNL     1       5.692  -0.109   0.143  1.00  0.00           C  
HETATM   27  C   UNL     1       6.154  -1.093   0.971  1.00  0.00           C  
HETATM   28  C   UNL     1       7.520  -1.290   1.155  1.00  0.00           C  
HETATM   29  C   UNL     1       8.435  -0.510   0.517  1.00  0.00           C  
HETATM   30  C   UNL     1       8.001   0.513  -0.343  1.00  0.00           C  
HETATM   31  C   UNL     1       6.612   0.715  -0.539  1.00  0.00           C  
HETATM   32  C   UNL     1       8.917   1.337  -1.018  1.00  0.00           C  
HETATM   33  C   UNL     1       8.460   2.319  -1.843  1.00  0.00           C  
HETATM   34  C   UNL     1       7.095   2.520  -2.030  1.00  0.00           C  
HETATM   35  C   UNL     1       6.178   1.733  -1.402  1.00  0.00           C  
HETATM   36  H   UNL     1      -6.706   2.672  -1.141  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.292  -1.406   0.064  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.535   2.693  -0.016  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.121  -1.385   1.190  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.758   1.670  -2.349  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.790   2.158   3.917  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.983   2.115   2.762  1.00  0.00           H  
HETATM   43  H   UNL     1       0.029   0.722   3.122  1.00  0.00           H  
HETATM   44  H   UNL     1       1.279  -1.267   2.228  1.00  0.00           H  
HETATM   45  H   UNL     1       1.297  -2.414   0.867  1.00  0.00           H  
HETATM   46  H   UNL     1       1.854  -0.563  -0.686  1.00  0.00           H  
HETATM   47  H   UNL     1       1.837   0.584   0.675  1.00  0.00           H  
HETATM   48  H   UNL     1       3.665  -0.686   1.768  1.00  0.00           H  
HETATM   49  H   UNL     1       3.683  -1.833   0.407  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.278  -3.642  -2.747  1.00  0.00           H  
HETATM   51  H   UNL     1       5.450  -1.726   1.490  1.00  0.00           H  
HETATM   52  H   UNL     1       7.859  -2.075   1.816  1.00  0.00           H  
HETATM   53  H   UNL     1       9.491  -0.677   0.671  1.00  0.00           H  
HETATM   54  H   UNL     1       9.979   1.193  -0.882  1.00  0.00           H  
HETATM   55  H   UNL     1       9.167   2.951  -2.360  1.00  0.00           H  
HETATM   56  H   UNL     1       6.758   3.306  -2.689  1.00  0.00           H  
HETATM   57  H   UNL     1       5.122   1.900  -1.557  1.00  0.00           H  
CONECT    1    4    3    3    2                                       
CONECT    2    1    5    5   36                                       
CONECT    3    1    1    6   37                                       
CONECT    4    7    7    8    1                                       
CONECT    5    2    2    9   38                                       
CONECT    6    3    9    9   39                                       
CONECT    7    4    4                                                 
CONECT    8    4   40                                                 
CONECT    9    6    6    5   12                                       
CONECT   10   11   15   15   41                                       
CONECT   11   12   12   10   42                                       
CONECT   12    9   13   11   11                                       
CONECT   13   16   12   14                                            
CONECT   14   13   18   18   15                                       
CONECT   15   14   10   10   43                                       
CONECT   16   17   17   13                                            
CONECT   17   19   16   16   18                                       
CONECT   18   17   14   14   20                                       
CONECT   19   24   24   25   17                                       
CONECT   20   18   21   44   45                                       
CONECT   21   20   22   46   47                                       
CONECT   22   21   23   48   49                                       
CONECT   23   22   26                                                 
CONECT   24   19   19                                                 
CONECT   25   19   50                                                 
CONECT   26   23   27   27   31                                       
CONECT   27   26   26   28   51                                       
CONECT   28   27   29   29   52                                       
CONECT   29   28   28   30   53                                       
CONECT   30   31   29   32   32                                       
CONECT   31   26   35   35   30                                       
CONECT   32   30   30   33   54                                       
CONECT   33   34   34   32   55                                       
CONECT   34   35   33   33   56                                       
CONECT   35   31   31   34   57                                       
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   15                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   25                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   32                                                      
CONECT   55   33                                                      
CONECT   56   34                                                      
CONECT   57   35                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
