COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -2.705  -0.685  -1.542  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.977  -0.094  -0.305  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.154   0.649  -0.135  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.647   1.968   1.159  1.00  0.00           C  
HETATM    5  C   UNL     1       1.204  -1.919   1.416  1.00  0.00           C  
HETATM    6  C   UNL     1       1.777  -3.500  -0.326  1.00  0.00           C  
HETATM    7  C   UNL     1       3.128   1.936   1.842  1.00  0.00           C  
HETATM    8  C   UNL     1       3.899   1.781  -0.333  1.00  0.00           C  
HETATM    9  C   UNL     1       4.316   1.087  -2.349  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.032  -0.251   0.816  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.271   0.265   1.890  1.00  0.00           O  
HETATM   12  O   UNL     1      -0.901  -0.966   0.648  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.017  -1.078   1.794  1.00  0.00           C  
HETATM   14  C   UNL     1       0.747  -3.263   0.810  1.00  0.00           C  
HETATM   15  C   UNL     1       2.024  -2.056  -0.828  1.00  0.00           C  
HETATM   16  N   UNL     1       1.992  -1.223   0.389  1.00  0.00           N  
HETATM   17  C   UNL     1       2.599   0.004   0.538  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501   0.698   1.728  1.00  0.00           C  
HETATM   19  N   UNL     1       3.800   2.439   0.827  1.00  0.00           N  
HETATM   20  N   UNL     1       4.507   2.070  -1.479  1.00  0.00           N  
HETATM   21  N   UNL     1       3.588   0.146  -1.797  1.00  0.00           N  
HETATM   22  N   UNL     1       3.300   0.563  -0.492  1.00  0.00           N  
HETATM   23  C   UNL     1      -5.036   0.789  -1.196  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.756   0.199  -2.412  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.591  -0.530  -2.586  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.429   1.227   1.061  1.00  0.00           O  
HETATM   27  H   UNL     1      -1.801  -1.258  -1.680  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.744   2.376   2.165  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.635   2.783   0.435  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.490   1.309   0.951  1.00  0.00           H  
HETATM   31  H   UNL     1       1.819  -2.098   2.298  1.00  0.00           H  
HETATM   32  H   UNL     1       2.694  -3.941   0.064  1.00  0.00           H  
HETATM   33  H   UNL     1       1.352  -4.121  -1.115  1.00  0.00           H  
HETATM   34  H   UNL     1       3.059   2.490   2.767  1.00  0.00           H  
HETATM   35  H   UNL     1       4.700   1.065  -3.358  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.548  -1.557   2.617  1.00  0.00           H  
HETATM   37  H   UNL     1       0.308  -0.084   2.101  1.00  0.00           H  
HETATM   38  H   UNL     1       0.802  -4.060   1.553  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.262  -3.181   0.405  1.00  0.00           H  
HETATM   40  H   UNL     1       2.999  -1.984  -1.311  1.00  0.00           H  
HETATM   41  H   UNL     1       1.235  -1.753  -1.516  1.00  0.00           H  
HETATM   42  H   UNL     1       1.946   0.287   2.559  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.944   1.360  -1.070  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.447   0.311  -3.235  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.380  -0.988  -3.541  1.00  0.00           H  
CONECT    1   25   25    2   27                                       
CONECT    2    1   10    3    3                                       
CONECT    3    2    2   23   26                                       
CONECT    4   26   28   29   30                                       
CONECT    5   14   16   13   31                                       
CONECT    6   14   15   32   33                                       
CONECT    7   19   19   18   34                                       
CONECT    8   19   20   20   22                                       
CONECT    9   20   21   21   35                                       
CONECT   10   12    2   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   13   10                                                 
CONECT   13    5   12   36   37                                       
CONECT   14    5    6   38   39                                       
CONECT   15    6   16   40   41                                       
CONECT   16    5   15   17                                            
CONECT   17   18   18   22   16                                       
CONECT   18    7   17   17   42                                       
CONECT   19    7    7    8                                            
CONECT   20    8    8    9                                            
CONECT   21   22    9    9                                            
CONECT   22    8   17   21                                            
CONECT   23   24   24    3   43                                       
CONECT   24   25   23   23   44                                       
CONECT   25    1    1   24   45                                       
CONECT   26    3    4                                                 
CONECT   27    1                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   18                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
