COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.829   3.825   2.044  1.00  0.00           C  
HETATM    2  C   UNL     1       3.701   3.002   1.478  1.00  0.00           C  
HETATM    3  C   UNL     1       0.615   0.838  -0.349  1.00  0.00           C  
HETATM    4  C   UNL     1       0.867  -0.489  -0.675  1.00  0.00           C  
HETATM    5  C   UNL     1       2.143  -1.004  -0.545  1.00  0.00           C  
HETATM    6  C   UNL     1       3.172  -0.201  -0.092  1.00  0.00           C  
HETATM    7  C   UNL     1       4.562  -0.766   0.048  1.00  0.00           C  
HETATM    8  C   UNL     1       4.731  -2.277  -0.128  1.00  0.00           C  
HETATM    9  C   UNL     1       5.230  -1.319  -1.213  1.00  0.00           C  
HETATM   10  C   UNL     1       6.742  -1.133  -1.350  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.142   0.243  -0.220  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.653  -1.453   0.500  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.127  -3.078   1.053  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.808  -2.049   0.627  1.00  0.00           N  
HETATM   15  C   UNL     1      -6.911   2.765  -0.705  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.776   2.124  -2.088  1.00  0.00           C  
HETATM   17  O   UNL     1       2.551   3.296   1.727  1.00  0.00           O  
HETATM   18  N   UNL     1       3.970   1.939   0.695  1.00  0.00           N  
HETATM   19  C   UNL     1       2.927   1.127   0.235  1.00  0.00           C  
HETATM   20  C   UNL     1       1.647   1.646   0.106  1.00  0.00           C  
HETATM   21  N   UNL     1       7.178  -1.617  -2.667  1.00  0.00           N  
HETATM   22  N   UNL     1      -0.674   1.359  -0.486  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.775   0.559  -0.231  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.066   1.045  -0.477  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.929  -1.019   0.274  1.00  0.00           N  
HETATM   26  N   UNL     1      -1.607  -0.665   0.247  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.754  -2.766   0.998  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.670  -3.621   1.377  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.809  -4.299   1.677  1.00  0.00           N  
HETATM   30  N   UNL     1      -5.423   0.697  -0.448  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.636   2.004  -1.075  1.00  0.00           C  
HETATM   32  H   UNL     1       5.126   3.419   3.011  1.00  0.00           H  
HETATM   33  H   UNL     1       5.678   3.796   1.361  1.00  0.00           H  
HETATM   34  H   UNL     1       4.498   4.856   2.170  1.00  0.00           H  
HETATM   35  H   UNL     1       0.065  -1.120  -1.030  1.00  0.00           H  
HETATM   36  H   UNL     1       2.336  -2.036  -0.799  1.00  0.00           H  
HETATM   37  H   UNL     1       5.200  -0.270   0.779  1.00  0.00           H  
HETATM   38  H   UNL     1       5.480  -2.774   0.487  1.00  0.00           H  
HETATM   39  H   UNL     1       3.837  -2.862  -0.345  1.00  0.00           H  
HETATM   40  H   UNL     1       4.665  -1.274  -2.144  1.00  0.00           H  
HETATM   41  H   UNL     1       6.989  -0.076  -1.252  1.00  0.00           H  
HETATM   42  H   UNL     1       7.250  -1.699  -0.569  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.546  -4.013   1.393  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.848   3.852  -0.646  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.591   2.293   0.004  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.368   1.230  -2.288  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.626   2.789  -2.939  1.00  0.00           H  
HETATM   48  H   UNL     1       4.886   1.736   0.450  1.00  0.00           H  
HETATM   49  H   UNL     1       1.454   2.678   0.360  1.00  0.00           H  
HETATM   50  H   UNL     1       8.174  -1.505  -2.782  1.00  0.00           H  
HETATM   51  H   UNL     1       6.903  -2.578  -2.808  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.798   2.282  -0.759  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.210   2.043  -0.867  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.183   0.151  -0.194  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.735   2.589  -1.259  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2   18    1   17   17                                       
CONECT    3    4   22   20   20                                       
CONECT    4    5    5    3   35                                       
CONECT    5    4    4    6   36                                       
CONECT    6    5    7   19   19                                       
CONECT    7    9    8    6   37                                       
CONECT    8    9    7   38   39                                       
CONECT    9    8   10    7   40                                       
CONECT   10    9   21   41   42                                       
CONECT   11   30   24   24   25                                       
CONECT   12   25   26   27   27                                       
CONECT   13   14   14   27   43                                       
CONECT   14   25   13   13                                            
CONECT   15   16   31   44   45                                       
CONECT   16   15   31   46   47                                       
CONECT   17    2    2                                                 
CONECT   18   19    2   48                                            
CONECT   19    6    6   20   18                                       
CONECT   20    3    3   19   49                                       
CONECT   21   10   50   51                                            
CONECT   22    3   23   52                                            
CONECT   23   24   22   26   26                                       
CONECT   24   11   11   23   53                                       
CONECT   25   11   12   14                                            
CONECT   26   23   23   12                                            
CONECT   27   12   12   13   28                                       
CONECT   28   27   29   29   29                                       
CONECT   29   28   28   28                                            
CONECT   30   31   11   54                                            
CONECT   31   15   16   30   55                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   18                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   24                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
