COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.540   0.558  -0.114  1.00  0.00           C  
HETATM    2  C   UNL     1       7.079   0.958  -0.327  1.00  0.00           C  
HETATM    3  O   UNL     1       6.225  -0.067   0.186  1.00  0.00           O  
HETATM    4  C   UNL     1       4.886   0.134   0.074  1.00  0.00           C  
HETATM    5  C   UNL     1       4.015  -0.819   0.551  1.00  0.00           C  
HETATM    6  C   UNL     1       4.410   1.308  -0.518  1.00  0.00           C  
HETATM    7  C   UNL     1       3.075   1.534  -0.642  1.00  0.00           C  
HETATM    8  C   UNL     1       2.158   0.578  -0.170  1.00  0.00           C  
HETATM    9  C   UNL     1       0.772   0.785  -0.284  1.00  0.00           C  
HETATM   10  C   UNL     1       2.630  -0.613   0.437  1.00  0.00           C  
HETATM   11  N   UNL     1       1.763  -1.524   0.893  1.00  0.00           N  
HETATM   12  C   UNL     1       0.469  -1.351   0.796  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.075  -0.200   0.204  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.545  -0.033   0.110  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.210   1.094   0.213  1.00  0.00           N  
HETATM   16  N   UNL     1      -3.577   0.841   0.069  1.00  0.00           N  
HETATM   17  C   UNL     1      -4.632   1.856   0.125  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.595   1.528   1.267  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.005   3.231   0.365  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.398   1.869  -1.200  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.777  -0.476  -0.129  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.996  -1.097  -0.312  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.530  -1.097  -0.122  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.257  -2.525  -0.306  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.227  -3.268   0.657  1.00  0.00           O  
HETATM   26  N   UNL     1      -2.039  -3.016  -1.542  1.00  0.00           N  
HETATM   27  H   UNL     1       9.192   1.339  -0.506  1.00  0.00           H  
HETATM   28  H   UNL     1       8.729   0.427   0.951  1.00  0.00           H  
HETATM   29  H   UNL     1       8.741  -0.378  -0.636  1.00  0.00           H  
HETATM   30  H   UNL     1       6.879   1.893   0.194  1.00  0.00           H  
HETATM   31  H   UNL     1       6.890   1.088  -1.393  1.00  0.00           H  
HETATM   32  H   UNL     1       4.393  -1.720   1.010  1.00  0.00           H  
HETATM   33  H   UNL     1       5.112   2.045  -0.882  1.00  0.00           H  
HETATM   34  H   UNL     1       2.720   2.445  -1.100  1.00  0.00           H  
HETATM   35  H   UNL     1       0.379   1.683  -0.736  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.195  -2.112   1.178  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.050   1.519   2.211  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.380   2.283   1.309  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.042   0.548   1.096  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.319   3.465  -0.449  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.791   3.986   0.407  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.460   3.222   1.309  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.844   0.889  -1.371  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.183   2.624  -1.158  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.712   2.103  -2.014  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.812  -0.574  -0.305  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.035  -2.057  -0.448  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.062  -2.424  -2.310  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.857  -3.961  -1.664  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    3    1   30   31                                       
CONECT    3    4    2                                                 
CONECT    4    6    3    5    5                                       
CONECT    5    4    4   10   32                                       
CONECT    6    7    7    4   33                                       
CONECT    7    6    6    8   34                                       
CONECT    8    7    9   10   10                                       
CONECT    9    8   13   13   35                                       
CONECT   10    8    8    5   11                                       
CONECT   11   10   12   12                                            
CONECT   12   13   11   11   36                                       
CONECT   13    9    9   14   12                                       
CONECT   14   13   23   15   15                                       
CONECT   15   14   14   16                                            
CONECT   16   15   21   17                                            
CONECT   17   20   16   19   18                                       
CONECT   18   17   37   38   39                                       
CONECT   19   17   40   41   42                                       
CONECT   20   17   43   44   45                                       
CONECT   21   23   23   16   22                                       
CONECT   22   21   46   47                                            
CONECT   23   24   14   21   21                                       
CONECT   24   25   25   26   23                                       
CONECT   25   24   24                                                 
CONECT   26   24   48   49                                            
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36   12                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
