COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.240   1.979  -2.287  1.00  0.00           N  
HETATM    2  C   UNL     1       3.741   2.243   0.305  1.00  0.00           C  
HETATM    3  C   UNL     1       2.752   1.288   0.022  1.00  0.00           C  
HETATM    4  C   UNL     1       1.428   1.679  -0.255  1.00  0.00           C  
HETATM    5  C   UNL     1       1.066   3.142  -0.251  1.00  0.00           C  
HETATM    6  C   UNL     1       0.472   0.750  -0.526  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.718   0.187  -1.608  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.327  -0.076   0.717  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.140  -0.904   0.551  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.232  -1.620  -0.839  1.00  0.00           C  
HETATM   11  C   UNL     1       3.096  -0.086   0.017  1.00  0.00           C  
HETATM   12  C   UNL     1       4.423  -0.470   0.298  1.00  0.00           C  
HETATM   13  C   UNL     1       6.784   0.095   0.874  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.180   0.633  -1.699  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.811   0.660  -0.337  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.994  -0.009   2.027  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.673  -1.163  -0.866  1.00  0.00           C  
HETATM   18  C   UNL     1       0.802  -0.620  -0.538  1.00  0.00           C  
HETATM   19  C   UNL     1       2.105  -1.044  -0.267  1.00  0.00           C  
HETATM   20  C   UNL     1       5.364   0.499   0.573  1.00  0.00           C  
HETATM   21  C   UNL     1       5.018   1.845   0.568  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.930   1.221  -0.805  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.160  -0.656   2.224  1.00  0.00           N  
HETATM   24  O   UNL     1      -4.890   1.433  -0.142  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.493   0.629   2.933  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.562  -1.385   1.504  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.485  -2.156  -1.495  1.00  0.00           O  
HETATM   28  O   UNL     1       0.062  -2.776  -1.059  1.00  0.00           O  
HETATM   29  O   UNL     1       2.412  -2.362  -0.280  1.00  0.00           O  
HETATM   30  O   UNL     1       4.770  -1.782   0.298  1.00  0.00           O  
HETATM   31  H   UNL     1      -4.194   2.299  -2.360  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.678   2.629  -1.758  1.00  0.00           H  
HETATM   33  H   UNL     1       3.490   3.293   0.311  1.00  0.00           H  
HETATM   34  H   UNL     1       1.205   3.553  -1.251  1.00  0.00           H  
HETATM   35  H   UNL     1       0.024   3.257   0.048  1.00  0.00           H  
HETATM   36  H   UNL     1       1.707   3.673   0.453  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.294   0.089  -2.607  1.00  0.00           H  
HETATM   38  H   UNL     1       7.356   0.058  -0.053  1.00  0.00           H  
HETATM   39  H   UNL     1       7.234   0.823   1.549  1.00  0.00           H  
HETATM   40  H   UNL     1       6.790  -0.889   1.344  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.729  -0.061  -2.335  1.00  0.00           H  
HETATM   42  H   UNL     1       5.772   2.589   0.781  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.440   1.402   0.141  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.887   2.152  -1.370  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.522  -1.225   1.527  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.636  -0.554   3.063  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.229   1.493   0.762  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.479  -3.012  -1.045  1.00  0.00           H  
HETATM   49  H   UNL     1       2.306  -2.799   0.577  1.00  0.00           H  
HETATM   50  H   UNL     1       5.067  -2.110  -0.561  1.00  0.00           H  
CONECT    1   14   31   32                                            
CONECT    2   21   21    3   33                                       
CONECT    3   11   11    2    4                                       
CONECT    4    3    6    6    5                                       
CONECT    5    4   34   35   36                                       
CONECT    6   18    4    4   22                                       
CONECT    7   17   22   14   37                                       
CONECT    8    9   16   15   15                                       
CONECT    9   26   26   17    8                                       
CONECT   10   28   28   18   17                                       
CONECT   11   12   19    3    3                                       
CONECT   12   30   20   20   11                                       
CONECT   13   20   38   39   40                                       
CONECT   14    7   15    1   41                                       
CONECT   15    8    8   14   24                                       
CONECT   16   23    8   25   25                                       
CONECT   17   10    9   27    7                                       
CONECT   18   19   19   10    6                                       
CONECT   19   29   11   18   18                                       
CONECT   20   13   12   12   21                                       
CONECT   21   20    2    2   42                                       
CONECT   22    6    7   43   44                                       
CONECT   23   16   45   46                                            
CONECT   24   15   47                                                 
CONECT   25   16   16                                                 
CONECT   26    9    9                                                 
CONECT   27   17   48                                                 
CONECT   28   10   10                                                 
CONECT   29   19   49                                                 
CONECT   30   12   50                                                 
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   27                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
