COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.504  -1.983   0.100  1.00  0.00           C  
HETATM    2  C   UNL     1       0.903  -3.296  -0.175  1.00  0.00           C  
HETATM    3  N   UNL     1       2.175  -3.560  -0.439  1.00  0.00           N  
HETATM    4  C   UNL     1       3.067  -2.585  -0.442  1.00  0.00           C  
HETATM    5  C   UNL     1       2.674  -1.278  -0.169  1.00  0.00           C  
HETATM    6  N   UNL     1       1.396  -1.008   0.096  1.00  0.00           N  
HETATM    7  N   UNL     1      -0.035  -4.324  -0.171  1.00  0.00           N  
HETATM    8  O   UNL     1      -0.799  -1.710   0.365  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.156  -0.335   0.517  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.611  -0.152   0.169  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.086   1.103  -0.216  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.436   1.265  -0.537  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.292   0.187  -0.471  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.815  -1.057  -0.087  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.475  -1.225   0.227  1.00  0.00           C  
HETATM   16  F   UNL     1      -5.658  -2.111  -0.023  1.00  0.00           F  
HETATM   17  C   UNL     1       3.676  -0.187  -0.174  1.00  0.00           C  
HETATM   18  C   UNL     1       3.315   1.113   0.201  1.00  0.00           C  
HETATM   19  N   UNL     1       4.211   2.085   0.197  1.00  0.00           N  
HETATM   20  C   UNL     1       5.465   1.873  -0.156  1.00  0.00           C  
HETATM   21  C   UNL     1       5.896   0.617  -0.538  1.00  0.00           C  
HETATM   22  C   UNL     1       4.998  -0.438  -0.545  1.00  0.00           C  
HETATM   23  O   UNL     1       2.037   1.377   0.571  1.00  0.00           O  
HETATM   24  C   UNL     1       1.727   2.730   0.911  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.164   2.255  -0.285  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.642   3.484  -0.565  1.00  0.00           N  
HETATM   27  O   UNL     1      -0.975   2.095  -0.089  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.727   4.627  -0.632  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.920   0.097   1.965  1.00  0.00           C  
HETATM   30  H   UNL     1       4.103  -2.802  -0.657  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.965  -4.131   0.022  1.00  0.00           H  
HETATM   32  H   UNL     1       0.242  -5.234  -0.362  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.545   0.275  -0.148  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.808   2.234  -0.836  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.336   0.311  -0.719  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.108  -2.197   0.520  1.00  0.00           H  
HETATM   37  H   UNL     1       6.165   2.695  -0.146  1.00  0.00           H  
HETATM   38  H   UNL     1       6.925   0.458  -0.824  1.00  0.00           H  
HETATM   39  H   UNL     1       5.312  -1.430  -0.836  1.00  0.00           H  
HETATM   40  H   UNL     1       2.410   3.075   1.687  1.00  0.00           H  
HETATM   41  H   UNL     1       1.830   3.360   0.028  1.00  0.00           H  
HETATM   42  H   UNL     1       0.702   2.785   1.279  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.590   3.612  -0.721  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.229   4.751   0.329  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.983   4.451  -1.409  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.291   5.530  -0.868  1.00  0.00           H  
HETATM   47  H   UNL     1       0.133  -0.035   2.217  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.192   1.146   2.081  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.531  -0.513   2.631  1.00  0.00           H  
CONECT    1    2    2    6    8                                       
CONECT    2    1    1    3    7                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   30                                       
CONECT    5    4    6    6   17                                       
CONECT    6    1    5    5                                            
CONECT    7    2   31   32                                            
CONECT    8    1    9                                                 
CONECT    9    8   10   29   33                                       
CONECT   10    9   11   11   15                                       
CONECT   11   10   10   12   25                                       
CONECT   12   11   13   13   34                                       
CONECT   13   12   12   14   35                                       
CONECT   14   13   15   15   16                                       
CONECT   15   10   14   14   36                                       
CONECT   16   14                                                      
CONECT   17    5   18   18   22                                       
CONECT   18   17   17   19   23                                       
CONECT   19   18   20   20                                            
CONECT   20   19   19   21   37                                       
CONECT   21   20   22   22   38                                       
CONECT   22   17   21   21   39                                       
CONECT   23   18   24                                                 
CONECT   24   23   40   41   42                                       
CONECT   25   11   26   27   27                                       
CONECT   26   25   28   43                                            
CONECT   27   25   25                                                 
CONECT   28   26   44   45   46                                       
CONECT   29    9   47   48   49                                       
CONECT   30    4                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   26                                                      
CONECT   44   28                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
