COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.238   3.672  -0.454  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.646   3.535  -0.249  1.00  0.00           O  
HETATM    3  C   UNL     1      -5.116   2.282  -0.011  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.243   1.210   0.023  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.477   2.078   0.204  1.00  0.00           C  
HETATM    6  O   UNL     1      -7.334   3.132   0.175  1.00  0.00           O  
HETATM    7  C   UNL     1      -6.959   0.800   0.446  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.091  -0.273   0.476  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.728  -0.074   0.267  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.795  -1.227   0.299  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.296  -2.523   0.537  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.449  -3.586   0.569  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.510  -1.030   0.101  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.615  -2.104   0.128  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.071  -3.376   0.362  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.035  -4.205   0.338  1.00  0.00           N  
HETATM   17  C   UNL     1       0.078  -3.517   0.102  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.257  -2.188  -0.042  1.00  0.00           C  
HETATM   19  C   UNL     1       0.669  -1.070  -0.318  1.00  0.00           C  
HETATM   20  C   UNL     1       2.035  -1.313  -0.474  1.00  0.00           C  
HETATM   21  C   UNL     1       0.180   0.233  -0.431  1.00  0.00           C  
HETATM   22  C   UNL     1       1.050   1.272  -0.689  1.00  0.00           C  
HETATM   23  C   UNL     1       2.403   1.025  -0.837  1.00  0.00           C  
HETATM   24  C   UNL     1       2.893  -0.265  -0.732  1.00  0.00           C  
HETATM   25  C   UNL     1       4.368  -0.525  -0.900  1.00  0.00           C  
HETATM   26  O   UNL     1       4.653  -0.784  -2.276  1.00  0.00           O  
HETATM   27  N   UNL     1       5.126   0.653  -0.456  1.00  0.00           N  
HETATM   28  C   UNL     1       6.390   0.257   0.179  1.00  0.00           C  
HETATM   29  C   UNL     1       7.150   1.507   0.627  1.00  0.00           C  
HETATM   30  N   UNL     1       8.414   1.110   1.262  1.00  0.00           N  
HETATM   31  C   UNL     1       9.318   0.482   0.289  1.00  0.00           C  
HETATM   32  C   UNL     1       9.059   2.258   1.913  1.00  0.00           C  
HETATM   33  H   UNL     1      -2.938   3.078  -1.318  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.997   4.720  -0.633  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.706   3.322   0.430  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.187   1.367  -0.140  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.701   3.317  -0.700  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.014   0.644   0.612  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.469  -1.267   0.666  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.354  -2.672   0.694  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.828  -4.581   0.751  1.00  0.00           H  
HETATM   42  H   UNL     1       1.073  -3.931   0.029  1.00  0.00           H  
HETATM   43  H   UNL     1       2.419  -2.319  -0.391  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.876   0.427  -0.316  1.00  0.00           H  
HETATM   45  H   UNL     1       0.673   2.281  -0.776  1.00  0.00           H  
HETATM   46  H   UNL     1       3.079   1.842  -1.040  1.00  0.00           H  
HETATM   47  H   UNL     1       4.655  -1.388  -0.300  1.00  0.00           H  
HETATM   48  H   UNL     1       4.422  -0.055  -2.869  1.00  0.00           H  
HETATM   49  H   UNL     1       5.291   1.287  -1.223  1.00  0.00           H  
HETATM   50  H   UNL     1       6.181  -0.371   1.045  1.00  0.00           H  
HETATM   51  H   UNL     1       6.997  -0.301  -0.535  1.00  0.00           H  
HETATM   52  H   UNL     1       7.360   2.134  -0.240  1.00  0.00           H  
HETATM   53  H   UNL     1       6.544   2.064   1.341  1.00  0.00           H  
HETATM   54  H   UNL     1       9.536   1.187  -0.513  1.00  0.00           H  
HETATM   55  H   UNL     1      10.246   0.198   0.785  1.00  0.00           H  
HETATM   56  H   UNL     1       8.842  -0.406  -0.128  1.00  0.00           H  
HETATM   57  H   UNL     1       8.395   2.662   2.678  1.00  0.00           H  
HETATM   58  H   UNL     1       9.992   1.937   2.375  1.00  0.00           H  
HETATM   59  H   UNL     1       9.267   3.028   1.170  1.00  0.00           H  
CONECT    1    2   33   34   35                                       
CONECT    2    3    1                                                 
CONECT    3    5    5    4    2                                       
CONECT    4    9    9    3   36                                       
CONECT    5    7    6    3    3                                       
CONECT    6    5   37                                                 
CONECT    7    8    8    5   38                                       
CONECT    8    7    7    9   39                                       
CONECT    9    8   10    4    4                                       
CONECT   10   11    9   13   13                                       
CONECT   11   12   12   10   40                                       
CONECT   12   11   11   15   41                                       
CONECT   13   10   10   14                                            
CONECT   14   15   18   13                                            
CONECT   15   12   16   16   14                                       
CONECT   16   15   15   17                                            
CONECT   17   16   18   18   42                                       
CONECT   18   17   17   14   19                                       
CONECT   19   18   21   21   20                                       
CONECT   20   19   24   24   43                                       
CONECT   21   19   19   22   44                                       
CONECT   22   21   23   23   45                                       
CONECT   23   22   22   24   46                                       
CONECT   24   20   20   23   25                                       
CONECT   25   24   26   27   47                                       
CONECT   26   25   48                                                 
CONECT   27   25   28   49                                            
CONECT   28   29   27   50   51                                       
CONECT   29   30   28   52   53                                       
CONECT   30   29   32   31                                            
CONECT   31   30   54   55   56                                       
CONECT   32   30   57   58   59                                       
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   17                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
