COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.006   0.072  -0.395  1.00  0.00           C  
HETATM    2  C   UNL     1       4.215   1.163   0.047  1.00  0.00           C  
HETATM    3  C   UNL     1       3.085   3.680  -0.135  1.00  0.00           C  
HETATM    4  C   UNL     1       2.297   2.556  -0.294  1.00  0.00           C  
HETATM    5  C   UNL     1       0.748  -3.967  -0.099  1.00  0.00           C  
HETATM    6  C   UNL     1       1.588  -2.705   0.108  1.00  0.00           C  
HETATM    7  C   UNL     1       2.813  -3.041   0.961  1.00  0.00           C  
HETATM    8  C   UNL     1       1.550  -0.446   0.972  1.00  0.00           C  
HETATM    9  C   UNL     1       2.863   1.297  -0.209  1.00  0.00           C  
HETATM   10  C   UNL     1       5.001   2.287   0.217  1.00  0.00           C  
HETATM   11  C   UNL     1       4.436   3.546   0.127  1.00  0.00           C  
HETATM   12  C   UNL     1       2.043  -2.165  -1.250  1.00  0.00           C  
HETATM   13  N   UNL     1       0.780  -1.684   0.790  1.00  0.00           N  
HETATM   14  O   UNL     1       2.764  -0.945  -1.055  1.00  0.00           O  
HETATM   15  H   UNL     1       1.134   0.325  -0.998  1.00  0.00           H  
HETATM   16  H   UNL     1       4.656   0.180   0.118  1.00  0.00           H  
HETATM   17  H   UNL     1       2.644   4.663  -0.206  1.00  0.00           H  
HETATM   18  H   UNL     1       1.242   2.661  -0.499  1.00  0.00           H  
HETATM   19  H   UNL     1       1.347  -4.723  -0.608  1.00  0.00           H  
HETATM   20  H   UNL     1       0.425  -4.352   0.868  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.125  -3.727  -0.706  1.00  0.00           H  
HETATM   22  H   UNL     1       3.413  -3.797   0.454  1.00  0.00           H  
HETATM   23  H   UNL     1       3.411  -2.142   1.108  1.00  0.00           H  
HETATM   24  H   UNL     1       2.489  -3.424   1.928  1.00  0.00           H  
HETATM   25  H   UNL     1       2.422  -0.648   1.594  1.00  0.00           H  
HETATM   26  H   UNL     1       0.925   0.305   1.456  1.00  0.00           H  
HETATM   27  H   UNL     1       6.056   2.182   0.422  1.00  0.00           H  
HETATM   28  H   UNL     1       5.052   4.424   0.251  1.00  0.00           H  
HETATM   29  H   UNL     1       2.690  -2.897  -1.735  1.00  0.00           H  
HETATM   30  H   UNL     1       1.172  -1.977  -1.878  1.00  0.00           H  
HETATM   31  C   UNL     1      -0.468  -1.425   0.058  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.389  -0.554   0.913  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.668  -0.288   0.162  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.636   0.463   0.724  1.00  0.00           N  
HETATM   35  C   UNL     1      -4.780   0.701   0.052  1.00  0.00           C  
HETATM   36  N   UNL     1      -5.748   1.452   0.614  1.00  0.00           N  
HETATM   37  C   UNL     1      -6.991   1.711  -0.116  1.00  0.00           C  
HETATM   38  O   UNL     1      -2.827  -0.750  -0.948  1.00  0.00           O  
HETATM   39  O   UNL     1      -4.939   0.238  -1.060  1.00  0.00           O  
HETATM   40  H   UNL     1      -0.241  -0.908  -0.875  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.963  -2.371  -0.162  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.616  -1.071   1.845  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.894   0.392   1.133  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.509   0.833   1.612  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.621   1.822   1.502  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.765   2.228  -1.049  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.487   0.765  -0.336  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.648   2.332   0.493  1.00  0.00           H  
CONECT    1    8   14    9   15                                       
CONECT    2    9   10   10   16                                       
CONECT    3    4   11   11   17                                       
CONECT    4    9    9    3   18                                       
CONECT    5    6   19   20   21                                       
CONECT    6    7   13    5   12                                       
CONECT    7    6   22   23   24                                       
CONECT    8   13    1   25   26                                       
CONECT    9    1    4    4    2                                       
CONECT   10    2    2   11   27                                       
CONECT   11    3    3   10   28                                       
CONECT   12    6   14   29   30                                       
CONECT   13    6    8   31                                            
CONECT   14   12    1                                                 
CONECT   15    1                                                      
CONECT   16    2                                                      
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    5                                                      
CONECT   21    5                                                      
CONECT   22    7                                                      
CONECT   23    7                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26    8                                                      
CONECT   27   10                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   13   32   40   41                                       
CONECT   32   31   33   42   43                                       
CONECT   33   32   34   38   38                                       
CONECT   34   33   35   44                                            
CONECT   35   34   36   39   39                                       
CONECT   36   35   37   45                                            
CONECT   37   36   46   47   48                                       
CONECT   38   33   33                                                 
CONECT   39   35   35                                                 
CONECT   40   31                                                      
CONECT   41   31                                                      
CONECT   42   32                                                      
CONECT   43   32                                                      
CONECT   44   34                                                      
CONECT   45   36                                                      
CONECT   46   37                                                      
CONECT   47   37                                                      
CONECT   48   37                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
