COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.400   4.688  -0.649  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.902   3.254  -0.835  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.219   2.643   0.531  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.714   1.232   0.347  1.00  0.00           C  
HETATM    5  N   UNL     1      -5.972   0.869   0.312  1.00  0.00           N  
HETATM    6  C   UNL     1      -6.059  -0.451   0.135  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.774  -0.943   0.056  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.934   0.150   0.189  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.561  -0.056   0.141  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.677   1.004   0.271  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.316   0.779   0.220  1.00  0.00           C  
HETATM   12  C   UNL     1       0.177  -0.509   0.038  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.691  -1.576  -0.094  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.071  -1.361  -0.043  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.933  -2.405  -0.171  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.226  -2.230  -0.122  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.144  -3.415  -0.271  1.00  0.00           C  
HETATM   18  O   UNL     1       1.519  -0.718  -0.011  1.00  0.00           O  
HETATM   19  C   UNL     1       2.360   0.428   0.132  1.00  0.00           C  
HETATM   20  C   UNL     1       3.804   0.005   0.052  1.00  0.00           C  
HETATM   21  C   UNL     1       4.106  -1.341  -0.141  1.00  0.00           C  
HETATM   22  C   UNL     1       5.410  -1.742  -0.221  1.00  0.00           C  
HETATM   23  C   UNL     1       6.414  -0.764  -0.104  1.00  0.00           C  
HETATM   24  C   UNL     1       7.776  -1.100  -0.177  1.00  0.00           C  
HETATM   25  C   UNL     1       8.717  -0.125  -0.059  1.00  0.00           C  
HETATM   26  C   UNL     1       8.349   1.206   0.133  1.00  0.00           C  
HETATM   27  C   UNL     1       7.039   1.567   0.208  1.00  0.00           C  
HETATM   28  C   UNL     1       6.037   0.588   0.091  1.00  0.00           C  
HETATM   29  N   UNL     1       4.742   0.914   0.161  1.00  0.00           N  
HETATM   30  C   UNL     1      -7.329  -1.256   0.041  1.00  0.00           C  
HETATM   31  H   UNL     1      -3.174   5.123  -1.622  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.169   5.281  -0.155  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.498   4.680  -0.037  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.804   3.262  -1.447  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.133   2.661  -1.330  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.317   2.635   1.143  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.988   3.236   1.025  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.053   2.006   0.412  1.00  0.00           H  
HETATM   39  H   UNL     1       0.369   1.607   0.322  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.303  -2.574  -0.236  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.736  -3.305  -1.181  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.552  -4.328  -0.332  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.810  -3.471   0.590  1.00  0.00           H  
HETATM   44  H   UNL     1       2.145   1.138  -0.667  1.00  0.00           H  
HETATM   45  H   UNL     1       2.172   0.899   1.097  1.00  0.00           H  
HETATM   46  H   UNL     1       3.311  -2.067  -0.227  1.00  0.00           H  
HETATM   47  H   UNL     1       5.662  -2.782  -0.371  1.00  0.00           H  
HETATM   48  H   UNL     1       8.074  -2.128  -0.325  1.00  0.00           H  
HETATM   49  H   UNL     1       9.764  -0.385  -0.115  1.00  0.00           H  
HETATM   50  H   UNL     1       9.115   1.961   0.224  1.00  0.00           H  
HETATM   51  H   UNL     1       6.771   2.603   0.358  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.588  -1.404  -1.007  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.181  -2.225   0.518  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.136  -0.723   0.543  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    3    1   34   35                                       
CONECT    3    2    4   36   37                                       
CONECT    4    3    8    5    5                                       
CONECT    5    4    4    6                                            
CONECT    6    5    7    7   30                                       
CONECT    7    8   16    6    6                                       
CONECT    8    9    4    7                                            
CONECT    9   10   10   14    8                                       
CONECT   10   11    9    9   38                                       
CONECT   11   12   12   10   39                                       
CONECT   12   18   11   11   13                                       
CONECT   13   12   14   14   40                                       
CONECT   14   13   13    9   15                                       
CONECT   15   14   16   16                                            
CONECT   16   15   15    7   17                                       
CONECT   17   16   41   42   43                                       
CONECT   18   19   12                                                 
CONECT   19   20   18   44   45                                       
CONECT   20   21   21   29   19                                       
CONECT   21   22   20   20   46                                       
CONECT   22   23   23   21   47                                       
CONECT   23   24   22   22   28                                       
CONECT   24   25   25   23   48                                       
CONECT   25   24   24   26   49                                       
CONECT   26   25   27   27   50                                       
CONECT   27   26   26   28   51                                       
CONECT   28   23   27   29   29                                       
CONECT   29   28   28   20                                            
CONECT   30    6   52   53   54                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
