COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.017   0.369  -0.025  1.00  0.00           C  
HETATM    2  C   UNL     1       0.924   2.576  -0.166  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.468   3.151  -0.130  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.364   3.776  -1.266  1.00  0.00           C  
HETATM    5  C   UNL     1       0.897  -2.016   0.281  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.557  -1.744   0.357  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.038  -0.760   1.237  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.284  -1.201   0.529  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.458  -1.604  -0.135  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.731  -2.893  -1.164  1.00  0.00           C  
HETATM   11  C   UNL     1       6.780   0.121  -0.334  1.00  0.00           C  
HETATM   12  N   UNL     1       5.531   0.887  -0.320  1.00  0.00           N  
HETATM   13  C   UNL     1       4.319   0.234  -0.172  1.00  0.00           C  
HETATM   14  N   UNL     1       3.203   0.952  -0.163  1.00  0.00           N  
HETATM   15  N   UNL     1       0.855   1.120  -0.021  1.00  0.00           N  
HETATM   16  N   UNL     1      -1.137   3.281  -1.258  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.943   4.160  -0.067  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.207   4.014   1.098  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.987   3.505   1.028  1.00  0.00           N  
HETATM   20  C   UNL     1       1.970  -1.026   0.112  1.00  0.00           C  
HETATM   21  C   UNL     1       1.501  -3.228   0.355  1.00  0.00           C  
HETATM   22  N   UNL     1       2.857  -3.074   0.246  1.00  0.00           N  
HETATM   23  C   UNL     1       3.173  -1.750   0.098  1.00  0.00           C  
HETATM   24  N   UNL     1       4.318  -1.082  -0.046  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.366  -0.492   1.326  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.594  -0.949   0.603  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.057  -2.593  -1.030  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.807  -2.188  -0.371  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.432  -2.456  -0.444  1.00  0.00           C  
HETATM   30  H   UNL     1       1.396   2.825  -1.116  1.00  0.00           H  
HETATM   31  H   UNL     1       1.511   2.995   0.652  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.908   3.876  -2.193  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.342  -0.211   1.853  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.509  -1.371  -0.045  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.402  -3.651  -1.860  1.00  0.00           H  
HETATM   36  H   UNL     1       6.885  -0.419   0.607  1.00  0.00           H  
HETATM   37  H   UNL     1       6.761  -0.589  -1.161  1.00  0.00           H  
HETATM   38  H   UNL     1       7.622   0.802  -0.458  1.00  0.00           H  
HETATM   39  H   UNL     1       5.554   1.853  -0.414  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.005   0.682   0.076  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.943   4.568  -0.041  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.625   4.302   2.051  1.00  0.00           H  
HETATM   43  H   UNL     1       0.990  -4.171   0.481  1.00  0.00           H  
HETATM   44  H   UNL     1       3.501  -3.798   0.270  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.719   0.267   2.009  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.793  -3.115  -1.624  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.059  -3.205  -1.126  1.00  0.00           H  
CONECT    1   15   14   14   20                                       
CONECT    2    3   15   30   31                                       
CONECT    3   16   16   19    2                                       
CONECT    4   17   17   16   32                                       
CONECT    5   20    6   21   21                                       
CONECT    6   29   29    7    5                                       
CONECT    7   25   25    6   33                                       
CONECT    8   26   26   28   25                                       
CONECT    9   27   27   26   34                                       
CONECT   10   27   28   28   35                                       
CONECT   11   12   36   37   38                                       
CONECT   12   11   13   39                                            
CONECT   13   14   12   24   24                                       
CONECT   14    1    1   13                                            
CONECT   15    2    1   40                                            
CONECT   16    4    3    3                                            
CONECT   17    4    4   18   41                                       
CONECT   18   17   19   19   42                                       
CONECT   19   18   18    3                                            
CONECT   20    1    5   23   23                                       
CONECT   21    5    5   22   43                                       
CONECT   22   23   21   44                                            
CONECT   23   20   20   24   22                                       
CONECT   24   13   13   23                                            
CONECT   25    8    7    7   45                                       
CONECT   26    9    8    8                                            
CONECT   27    9    9   10   46                                       
CONECT   28   10   10    8   29                                       
CONECT   29   28    6    6   47                                       
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   25                                                      
CONECT   46   27                                                      
CONECT   47   29                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
