COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.020  -0.092   0.591  1.00  0.00           C  
HETATM    2  C   UNL     1       2.089  -0.205  -0.435  1.00  0.00           C  
HETATM    3  C   UNL     1       1.814  -1.474  -0.977  1.00  0.00           C  
HETATM    4  C   UNL     1       2.276   1.905   0.175  1.00  0.00           C  
HETATM    5  N   UNL     1       2.459  -2.553  -0.489  1.00  0.00           N  
HETATM    6  N   UNL     1       3.650  -1.238   1.050  1.00  0.00           N  
HETATM    7  C   UNL     1      -7.229   0.201   1.570  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.024  -0.390   0.885  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.941   0.410   0.585  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.003  -1.736   0.563  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.901  -2.286  -0.065  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.813  -1.495  -0.375  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.826  -0.139  -0.049  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.661   0.713  -0.373  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.527   0.318  -0.985  1.00  0.00           O  
HETATM   16  N   UNL     1      -2.542   1.996  -0.123  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.397   2.405  -0.543  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.747   1.409  -1.076  1.00  0.00           C  
HETATM   19  C   UNL     1       0.629   1.469  -1.687  1.00  0.00           C  
HETATM   20  N   UNL     1       1.626   1.079  -0.687  1.00  0.00           N  
HETATM   21  O   UNL     1       1.002  -1.597  -1.877  1.00  0.00           O  
HETATM   22  C   UNL     1       2.177  -3.877  -1.050  1.00  0.00           C  
HETATM   23  C   UNL     1       3.357  -2.433   0.504  1.00  0.00           C  
HETATM   24  O   UNL     1       3.920  -3.428   0.919  1.00  0.00           O  
HETATM   25  C   UNL     1       4.636  -1.148   2.130  1.00  0.00           C  
HETATM   26  N   UNL     1       3.100   1.198   0.921  1.00  0.00           N  
HETATM   27  N   UNL     1       2.106   3.269   0.251  1.00  0.00           N  
HETATM   28  C   UNL     1       2.598   3.790   1.533  1.00  0.00           C  
HETATM   29  C   UNL     1       2.761   3.944  -0.877  1.00  0.00           C  
HETATM   30  H   UNL     1      -7.933   0.560   0.820  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.709  -0.562   2.183  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.916   1.031   2.203  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.957   1.460   0.840  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.852  -2.359   0.804  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.891  -3.337  -0.314  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.953  -1.926  -0.866  1.00  0.00           H  
HETATM   37  H   UNL     1       0.680   0.788  -2.536  1.00  0.00           H  
HETATM   38  H   UNL     1       0.832   2.486  -2.025  1.00  0.00           H  
HETATM   39  H   UNL     1       2.855  -4.071  -1.881  1.00  0.00           H  
HETATM   40  H   UNL     1       2.319  -4.636  -0.280  1.00  0.00           H  
HETATM   41  H   UNL     1       1.147  -3.909  -1.406  1.00  0.00           H  
HETATM   42  H   UNL     1       4.133  -1.260   3.091  1.00  0.00           H  
HETATM   43  H   UNL     1       5.376  -1.939   2.013  1.00  0.00           H  
HETATM   44  H   UNL     1       5.131  -0.178   2.090  1.00  0.00           H  
HETATM   45  H   UNL     1       3.659   3.563   1.635  1.00  0.00           H  
HETATM   46  H   UNL     1       2.452   4.870   1.567  1.00  0.00           H  
HETATM   47  H   UNL     1       2.047   3.323   2.350  1.00  0.00           H  
HETATM   48  H   UNL     1       3.840   3.799  -0.811  1.00  0.00           H  
HETATM   49  H   UNL     1       2.396   3.524  -1.814  1.00  0.00           H  
HETATM   50  H   UNL     1       2.535   5.010  -0.844  1.00  0.00           H  
CONECT    1    2    2   26    6                                       
CONECT    2   20    3    1    1                                       
CONECT    3   21   21    2    5                                       
CONECT    4   27   20   26   26                                       
CONECT    5    3   22   23                                            
CONECT    6    1   23   25                                            
CONECT    7    8   30   31   32                                       
CONECT    8   10    7    9    9                                       
CONECT    9    8    8   13   33                                       
CONECT   10   11   11    8   34                                       
CONECT   11   10   10   12   35                                       
CONECT   12   11   13   13   36                                       
CONECT   13   12   12    9   14                                       
CONECT   14   13   16   16   15                                       
CONECT   15   14   18                                                 
CONECT   16   14   14   17                                            
CONECT   17   16   18   18                                            
CONECT   18   15   17   17   19                                       
CONECT   19   18   20   37   38                                       
CONECT   20   19    4    2                                            
CONECT   21    3    3                                                 
CONECT   22    5   39   40   41                                       
CONECT   23    5    6   24   24                                       
CONECT   24   23   23                                                 
CONECT   25    6   42   43   44                                       
CONECT   26    4    4    1                                            
CONECT   27   29   28    4                                            
CONECT   28   27   45   46   47                                       
CONECT   29   27   48   49   50                                       
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
