COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.324   0.813   0.166  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.360  -1.038  -0.369  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.633   0.310  -0.287  1.00  0.00           C  
HETATM    4  C   UNL     1       2.697   0.356   0.367  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.818   3.449   0.313  1.00  0.00           C  
HETATM    6  C   UNL     1       2.369   1.674   0.450  1.00  0.00           C  
HETATM    7  C   UNL     1       4.910   0.993  -0.431  1.00  0.00           C  
HETATM    8  C   UNL     1       4.353  -1.365  -0.176  1.00  0.00           C  
HETATM    9  C   UNL     1       4.534   2.344  -0.333  1.00  0.00           C  
HETATM   10  C   UNL     1       5.603  -1.686  -0.610  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.904  -0.239  -0.726  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.906   0.749  -0.462  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.610   1.232  -0.025  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.902   2.559   0.042  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.022  -0.552   0.093  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.049  -1.490  -0.177  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.732  -2.793  -0.241  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.495  -3.186  -0.057  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.503  -2.346   0.198  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.706  -1.038   0.283  1.00  0.00           C  
HETATM   21  N   UNL     1       0.336  -0.175   0.549  1.00  0.00           N  
HETATM   22  C   UNL     1       1.690  -0.700   0.743  1.00  0.00           C  
HETATM   23  C   UNL     1       1.882  -1.088   2.210  1.00  0.00           C  
HETATM   24  C   UNL     1       3.978  -0.015  -0.077  1.00  0.00           C  
HETATM   25  C   UNL     1       6.519  -0.696  -0.959  1.00  0.00           C  
HETATM   26  C   UNL     1       6.190   0.623  -0.875  1.00  0.00           C  
HETATM   27  C   UNL     1       3.284   2.665   0.101  1.00  0.00           C  
HETATM   28  H   UNL     1      -1.544   1.532   0.367  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.154  -1.742  -0.571  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.374   3.198   1.276  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.065   3.353  -0.470  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.187   4.474   0.339  1.00  0.00           H  
HETATM   33  H   UNL     1       1.384   1.957   0.791  1.00  0.00           H  
HETATM   34  H   UNL     1       3.654  -2.144   0.090  1.00  0.00           H  
HETATM   35  H   UNL     1       5.233   3.123  -0.600  1.00  0.00           H  
HETATM   36  H   UNL     1       5.889  -2.725  -0.686  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.651  -0.775  -1.641  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.948  -0.942   0.106  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.873   0.245  -0.845  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.275  -4.241  -0.115  1.00  0.00           H  
HETATM   41  H   UNL     1       0.173   0.779   0.608  1.00  0.00           H  
HETATM   42  H   UNL     1       1.833  -1.579   0.113  1.00  0.00           H  
HETATM   43  H   UNL     1       1.739  -0.210   2.840  1.00  0.00           H  
HETATM   44  H   UNL     1       1.154  -1.852   2.482  1.00  0.00           H  
HETATM   45  H   UNL     1       2.889  -1.479   2.354  1.00  0.00           H  
HETATM   46  H   UNL     1       7.504  -0.978  -1.300  1.00  0.00           H  
HETATM   47  H   UNL     1       6.910   1.380  -1.150  1.00  0.00           H  
HETATM   48  H   UNL     1       2.998   3.704   0.175  1.00  0.00           H  
CONECT    1   15   15   13   28                                       
CONECT    2   16   16    3   29                                       
CONECT    3   13   13    2   12                                       
CONECT    4   22    6    6   24                                       
CONECT    5   14   30   31   32                                       
CONECT    6    4    4   27   33                                       
CONECT    7   24    9   26   26                                       
CONECT    8   24   24   10   34                                       
CONECT    9   27   27    7   35                                       
CONECT   10    8   25   25   36                                       
CONECT   11   12   37   38   39                                       
CONECT   12    3   11                                                 
CONECT   13    1   14    3    3                                       
CONECT   14    5   13                                                 
CONECT   15   20    1    1   16                                       
CONECT   16   15   17    2    2                                       
CONECT   17   18   18   16                                            
CONECT   18   19   17   17   40                                       
CONECT   19   20   20   18                                            
CONECT   20   21   19   19   15                                       
CONECT   21   22   20   41                                            
CONECT   22   23    4   21   42                                       
CONECT   23   22   43   44   45                                       
CONECT   24    4    8    8    7                                       
CONECT   25   10   10   26   46                                       
CONECT   26    7    7   25   47                                       
CONECT   27    6    9    9   48                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   18                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
