COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.438  -1.108  -0.107  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.562  -0.294  -0.039  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.810  -0.863   0.182  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.965  -2.157   0.331  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.930  -3.001   0.278  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.623  -2.505   0.050  1.00  0.00           C  
HETATM    7  C   UNL     1       0.907  -0.536  -0.341  1.00  0.00           C  
HETATM    8  C   UNL     1       1.198   0.100  -1.548  1.00  0.00           C  
HETATM    9  C   UNL     1       2.451   0.628  -1.759  1.00  0.00           C  
HETATM   10  C   UNL     1       3.432   0.531  -0.774  1.00  0.00           C  
HETATM   11  C   UNL     1       3.145  -0.098   0.427  1.00  0.00           C  
HETATM   12  C   UNL     1       1.887  -0.627   0.646  1.00  0.00           C  
HETATM   13  C   UNL     1       0.458  -3.395  -0.005  1.00  0.00           C  
HETATM   14  C   UNL     1       0.241  -4.730   0.161  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.043  -5.222   0.385  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.115  -4.386   0.439  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.020   0.032   0.253  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.428   1.198  -0.204  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.016   1.612  -1.529  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.454   1.193  -2.673  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.994   2.321  -1.561  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.125   1.859   0.854  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.565   3.122   1.219  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.586   4.059   0.010  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.387   3.735   2.355  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.121   2.923   1.685  1.00  0.00           C  
HETATM   27  O   UNL     1       4.656   1.062  -1.028  1.00  0.00           O  
HETATM   28  C   UNL     1       5.525   1.298   0.081  1.00  0.00           C  
HETATM   29  C   UNL     1       5.574   0.025   0.936  1.00  0.00           C  
HETATM   30  C   UNL     1       4.179  -0.216   1.518  1.00  0.00           C  
HETATM   31  H   UNL     1       0.441   0.178  -2.315  1.00  0.00           H  
HETATM   32  H   UNL     1       2.676   1.120  -2.694  1.00  0.00           H  
HETATM   33  H   UNL     1       1.664  -1.115   1.583  1.00  0.00           H  
HETATM   34  H   UNL     1       1.457  -3.024  -0.178  1.00  0.00           H  
HETATM   35  H   UNL     1       1.075  -5.415   0.118  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.191  -6.284   0.510  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.104  -4.783   0.614  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.377   0.242  -0.755  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.807  -0.465   0.821  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.752   0.967   0.745  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.374   1.474  -0.173  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.866   1.484  -3.498  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.615   4.200  -0.322  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.158   5.022   0.289  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.000   3.622  -0.799  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.416   3.877   2.023  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.372   3.067   3.216  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.959   4.698   2.634  1.00  0.00           H  
HETATM   49  H   UNL     1       0.307   3.886   1.964  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.106   2.255   2.547  1.00  0.00           H  
HETATM   51  H   UNL     1       0.465   2.486   0.877  1.00  0.00           H  
HETATM   52  H   UNL     1       6.525   1.536  -0.281  1.00  0.00           H  
HETATM   53  H   UNL     1       5.142   2.126   0.677  1.00  0.00           H  
HETATM   54  H   UNL     1       5.865  -0.823   0.316  1.00  0.00           H  
HETATM   55  H   UNL     1       6.293   0.154   1.745  1.00  0.00           H  
HETATM   56  H   UNL     1       3.976   0.525   2.292  1.00  0.00           H  
HETATM   57  H   UNL     1       4.135  -1.214   1.953  1.00  0.00           H  
CONECT    1    6    6    2    7                                       
CONECT    2    3    3    1   18                                       
CONECT    3    4   17    2    2                                       
CONECT    4    5    5    3                                            
CONECT    5   16    4    4    6                                       
CONECT    6    5   13    1    1                                       
CONECT    7    8    1   12   12                                       
CONECT    8    9    9    7   31                                       
CONECT    9    8    8   10   32                                       
CONECT   10    9   27   11   11                                       
CONECT   11   10   10   12   30                                       
CONECT   12    7    7   11   33                                       
CONECT   13   14   14    6   34                                       
CONECT   14   15   13   13   35                                       
CONECT   15   16   16   14   36                                       
CONECT   16   15   15    5   37                                       
CONECT   17    3   38   39   40                                       
CONECT   18   22    2   19   41                                       
CONECT   19   18   21   21   20                                       
CONECT   20   19   42                                                 
CONECT   21   19   19                                                 
CONECT   22   23   18                                                 
CONECT   23   25   26   24   22                                       
CONECT   24   23   43   44   45                                       
CONECT   25   23   46   47   48                                       
CONECT   26   23   49   50   51                                       
CONECT   27   10   28                                                 
CONECT   28   27   29   52   53                                       
CONECT   29   28   30   54   55                                       
CONECT   30   11   29   56   57                                       
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
