COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.910   0.536   0.430  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.090  -0.107  -0.496  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.722   0.059  -0.435  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.162   0.853   0.550  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.971   1.494   1.472  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.341   1.340   1.417  1.00  0.00           C  
HETATM    7  B   UNL     1      -4.468   0.356   0.362  1.00  0.00           B  
HETATM    8  O   UNL     1      -5.408   0.957   1.247  1.00  0.00           O  
HETATM    9  C   UNL     1      -6.720   0.508   0.852  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.418  -0.783   0.050  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.170  -0.432  -0.600  1.00  0.00           O  
HETATM   12  C   UNL     1       1.334   1.026   0.616  1.00  0.00           C  
HETATM   13  C   UNL     1       1.760   2.146  -0.335  1.00  0.00           C  
HETATM   14  N   UNL     1       3.214   2.314  -0.271  1.00  0.00           N  
HETATM   15  C   UNL     1       3.830   3.270  -1.045  1.00  0.00           C  
HETATM   16  N   UNL     1       5.194   3.427  -0.985  1.00  0.00           N  
HETATM   17  N   UNL     1       3.120   4.026  -1.834  1.00  0.00           N  
HETATM   18  O   UNL     1       1.981  -0.213   0.224  1.00  0.00           O  
HETATM   19  C   UNL     1       3.182  -0.538   0.741  1.00  0.00           C  
HETATM   20  O   UNL     1       3.723   0.206   1.534  1.00  0.00           O  
HETATM   21  C   UNL     1       3.841  -1.799   0.343  1.00  0.00           C  
HETATM   22  C   UNL     1       5.090  -2.148   0.873  1.00  0.00           C  
HETATM   23  C   UNL     1       5.664  -3.339   0.467  1.00  0.00           C  
HETATM   24  C   UNL     1       4.994  -4.140  -0.440  1.00  0.00           C  
HETATM   25  N   UNL     1       3.818  -3.785  -0.923  1.00  0.00           N  
HETATM   26  C   UNL     1       3.228  -2.665  -0.564  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.513  -1.057  -0.983  1.00  0.00           C  
HETATM   28  O   UNL     1      -7.264  -2.310  -1.621  1.00  0.00           O  
HETATM   29  H   UNL     1      -2.526  -0.731  -1.263  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.086  -0.439  -1.152  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.529   2.116   2.236  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.971   1.840   2.137  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.331   0.284   1.726  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.208   1.250   0.219  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.290  -1.636   0.716  1.00  0.00           H  
HETATM   36  H   UNL     1       1.626   1.283   1.634  1.00  0.00           H  
HETATM   37  H   UNL     1       1.273   3.077  -0.041  1.00  0.00           H  
HETATM   38  H   UNL     1       1.468   1.890  -1.353  1.00  0.00           H  
HETATM   39  H   UNL     1       3.742   1.751   0.316  1.00  0.00           H  
HETATM   40  H   UNL     1       5.629   4.101  -1.530  1.00  0.00           H  
HETATM   41  H   UNL     1       5.722   2.867  -0.394  1.00  0.00           H  
HETATM   42  H   UNL     1       2.157   3.915  -1.876  1.00  0.00           H  
HETATM   43  H   UNL     1       5.592  -1.503   1.580  1.00  0.00           H  
HETATM   44  H   UNL     1       6.626  -3.641   0.854  1.00  0.00           H  
HETATM   45  H   UNL     1       5.440  -5.071  -0.758  1.00  0.00           H  
HETATM   46  H   UNL     1       2.265  -2.409  -0.981  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.482  -1.089  -0.485  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.515  -0.263  -1.730  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.975  -2.444  -2.262  1.00  0.00           H  
CONECT    1    2    6    6    7                                       
CONECT    2    1    3    3   29                                       
CONECT    3    2    2    4   30                                       
CONECT    4    3    5    5   12                                       
CONECT    5    4    4    6   31                                       
CONECT    6    1    1    5   32                                       
CONECT    7    1    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   33   34                                       
CONECT   10    9   11   27   35                                       
CONECT   11    7   10                                                 
CONECT   12    4   13   18   36                                       
CONECT   13   12   14   37   38                                       
CONECT   14   13   15   39                                            
CONECT   15   14   16   17   17                                       
CONECT   16   15   40   41                                            
CONECT   17   15   15   42                                            
CONECT   18   12   19                                                 
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   22   26                                       
CONECT   22   21   21   23   43                                       
CONECT   23   22   24   24   44                                       
CONECT   24   23   23   25   45                                       
CONECT   25   24   26   26                                            
CONECT   26   21   25   25   46                                       
CONECT   27   10   28   47   48                                       
CONECT   28   27   49                                                 
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
