COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.621   1.423   0.052  1.00  0.00           C  
HETATM    2  N   UNL     1       1.555   2.444  -0.036  1.00  0.00           N  
HETATM    3  C   UNL     1       2.919   2.141  -0.099  1.00  0.00           C  
HETATM    4  N   UNL     1       1.015   0.161   0.204  1.00  0.00           N  
HETATM    5  C   UNL     1       0.130  -0.821   0.289  1.00  0.00           C  
HETATM    6  N   UNL     1       0.579  -2.120   0.446  1.00  0.00           N  
HETATM    7  N   UNL     1      -1.173  -0.593   0.228  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.643   0.646   0.076  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.104   0.893   0.009  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.743   1.705  -0.011  1.00  0.00           C  
HETATM   11  C   UNL     1       3.359   1.000  -0.766  1.00  0.00           C  
HETATM   12  C   UNL     1       4.720   0.743  -0.801  1.00  0.00           C  
HETATM   13  C   UNL     1       5.589   1.619  -0.178  1.00  0.00           C  
HETATM   14  N   UNL     1       5.140   2.691   0.445  1.00  0.00           N  
HETATM   15  C   UNL     1       3.854   2.977   0.498  1.00  0.00           C  
HETATM   16  C   UNL     1       0.063  -2.989  -0.622  1.00  0.00           C  
HETATM   17  C   UNL     1       0.534  -4.425  -0.376  1.00  0.00           C  
HETATM   18  O   UNL     1       1.962  -4.447  -0.303  1.00  0.00           O  
HETATM   19  C   UNL     1       2.499  -3.612   0.726  1.00  0.00           C  
HETATM   20  C   UNL     1       2.048  -2.168   0.492  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.586   2.190  -0.155  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.947   2.417  -0.218  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.833   1.361  -0.119  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.360   0.066   0.044  1.00  0.00           C  
HETATM   25  O   UNL     1      -6.235  -0.970   0.141  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.997  -0.172   0.103  1.00  0.00           C  
HETATM   27  H   UNL     1       1.262   3.369  -0.053  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.092   2.719  -0.133  1.00  0.00           H  
HETATM   29  H   UNL     1       2.657   0.333  -1.243  1.00  0.00           H  
HETATM   30  H   UNL     1       5.097  -0.132  -1.308  1.00  0.00           H  
HETATM   31  H   UNL     1       6.651   1.423  -0.203  1.00  0.00           H  
HETATM   32  H   UNL     1       3.525   3.866   1.013  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.027  -2.958  -0.621  1.00  0.00           H  
HETATM   34  H   UNL     1       0.437  -2.643  -1.585  1.00  0.00           H  
HETATM   35  H   UNL     1       0.116  -4.790   0.562  1.00  0.00           H  
HETATM   36  H   UNL     1       0.202  -5.062  -1.196  1.00  0.00           H  
HETATM   37  H   UNL     1       2.138  -3.954   1.697  1.00  0.00           H  
HETATM   38  H   UNL     1       3.588  -3.662   0.705  1.00  0.00           H  
HETATM   39  H   UNL     1       2.454  -1.809  -0.454  1.00  0.00           H  
HETATM   40  H   UNL     1       2.407  -1.538   1.306  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.897   3.017  -0.232  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.319   3.423  -0.345  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.896   1.544  -0.169  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.465  -1.371  -0.708  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.628  -1.179   0.226  1.00  0.00           H  
CONECT    1    2   10   10    4                                       
CONECT    2    1    3   27                                            
CONECT    3    2   15   15   11                                       
CONECT    4    1    5    5                                            
CONECT    5    4    4    7    6                                       
CONECT    6    5   16   20                                            
CONECT    7    5    8    8                                            
CONECT    8    7    7   10    9                                       
CONECT    9    8   21   21   26                                       
CONECT   10    1    1    8   28                                       
CONECT   11    3   12   12   29                                       
CONECT   12   11   11   13   30                                       
CONECT   13   12   14   14   31                                       
CONECT   14   13   13   15                                            
CONECT   15    3    3   14   32                                       
CONECT   16    6   17   33   34                                       
CONECT   17   16   18   35   36                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   37   38                                       
CONECT   20    6   19   39   40                                       
CONECT   21    9    9   22   41                                       
CONECT   22   21   23   23   42                                       
CONECT   23   22   22   24   43                                       
CONECT   24   23   26   26   25                                       
CONECT   25   24   44                                                 
CONECT   26    9   24   24   45                                       
CONECT   27    2                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
