COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.679   2.886   0.119  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.820   2.197   0.115  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.658  -0.212  -0.082  1.00  0.00           C  
HETATM    4  C   UNL     1       0.366  -0.797  -0.034  1.00  0.00           C  
HETATM    5  C   UNL     1       0.762  -1.577  -1.124  1.00  0.00           C  
HETATM    6  C   UNL     1       2.923   0.401  -0.352  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.714  -1.605  -0.153  1.00  0.00           C  
HETATM    8  C   UNL     1       4.062   1.212  -0.975  1.00  0.00           C  
HETATM    9  C   UNL     1       3.352  -0.086   1.035  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.216  -1.686  -0.250  1.00  0.00           C  
HETATM   11  C   UNL     1       0.113  -3.553   0.063  1.00  0.00           C  
HETATM   12  C   UNL     1       4.630  -0.917   0.904  1.00  0.00           C  
HETATM   13  C   UNL     1       6.970  -0.818   0.291  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.051  -2.621  -0.149  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.054  -0.296  -0.061  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.820   0.872   0.054  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.209   2.101   0.142  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.961   3.280   0.185  1.00  0.00           N  
HETATM   19  O   UNL     1       0.291   3.623   0.156  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.047   1.028   0.006  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.636   1.472   0.003  1.00  0.00           C  
HETATM   22  C   UNL     1       0.495   0.672  -0.087  1.00  0.00           C  
HETATM   23  C   UNL     1       0.633  -2.948  -1.068  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.276  -2.787   1.148  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.158  -1.414   1.105  1.00  0.00           C  
HETATM   26  N   UNL     1       1.732   1.246  -0.227  1.00  0.00           N  
HETATM   27  C   UNL     1       5.320   0.343  -1.047  1.00  0.00           C  
HETATM   28  N   UNL     1       5.690  -0.097   0.304  1.00  0.00           N  
HETATM   29  H   UNL     1      -2.060  -1.108  -0.165  1.00  0.00           H  
HETATM   30  H   UNL     1       1.168  -1.106  -2.007  1.00  0.00           H  
HETATM   31  H   UNL     1       2.696  -0.456  -0.986  1.00  0.00           H  
HETATM   32  H   UNL     1       3.779   1.526  -1.980  1.00  0.00           H  
HETATM   33  H   UNL     1       4.261   2.091  -0.362  1.00  0.00           H  
HETATM   34  H   UNL     1       3.540   0.772   1.680  1.00  0.00           H  
HETATM   35  H   UNL     1       2.561  -0.699   1.466  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.641  -0.687  -0.148  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.495  -2.102  -1.218  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.598  -2.326   0.545  1.00  0.00           H  
HETATM   39  H   UNL     1       0.018  -4.628   0.102  1.00  0.00           H  
HETATM   40  H   UNL     1       4.947  -1.254   1.892  1.00  0.00           H  
HETATM   41  H   UNL     1       4.438  -1.783   0.270  1.00  0.00           H  
HETATM   42  H   UNL     1       6.865  -1.734  -0.291  1.00  0.00           H  
HETATM   43  H   UNL     1       7.737  -0.188  -0.159  1.00  0.00           H  
HETATM   44  H   UNL     1       7.257  -1.068   1.312  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.898   0.807   0.070  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.809   2.994   0.234  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.248   4.203   0.271  1.00  0.00           H  
HETATM   48  H   UNL     1       0.939  -3.553  -1.910  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.672  -3.267   2.031  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.470  -0.817   1.950  1.00  0.00           H  
HETATM   51  H   UNL     1       5.124  -0.528  -1.672  1.00  0.00           H  
HETATM   52  H   UNL     1       6.137   0.922  -1.477  1.00  0.00           H  
HETATM   53  H   UNL     1       1.819   2.212  -0.243  1.00  0.00           H  
CONECT    1   21   19   19   18                                       
CONECT    2   20   18   17   17                                       
CONECT    3   20   20   15   29                                       
CONECT    4    5    5   25   22                                       
CONECT    5   23    4    4   30                                       
CONECT    6    9    8   26   31                                       
CONECT    7   10   15   14   14                                       
CONECT    8   27    6   32   33                                       
CONECT    9   12    6   34   35                                       
CONECT   10    7   36   37   38                                       
CONECT   11   23   23   24   39                                       
CONECT   12   28    9   40   41                                       
CONECT   13   28   42   43   44                                       
CONECT   14    7    7                                                 
CONECT   15    3    7   16   16                                       
CONECT   16   15   15   17   45                                       
CONECT   17    2    2   16   46                                       
CONECT   18    1    2   47                                            
CONECT   19    1    1                                                 
CONECT   20   21    3    3    2                                       
CONECT   21   22   22   20    1                                       
CONECT   22    4   26   21   21                                       
CONECT   23   11   11    5   48                                       
CONECT   24   11   25   25   49                                       
CONECT   25   24   24    4   50                                       
CONECT   26    6   22   53                                            
CONECT   27   28    8   51   52                                       
CONECT   28   13   12   27                                            
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   26                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
