COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.740   0.247   0.080  1.00  0.00           C  
HETATM    2  C   UNL     1       5.144   0.386   1.340  1.00  0.00           C  
HETATM    3  C   UNL     1       6.246   0.121   0.516  1.00  0.00           C  
HETATM    4  C   UNL     1       6.072  -0.660  -0.656  1.00  0.00           C  
HETATM    5  C   UNL     1       4.804  -1.157  -0.975  1.00  0.00           C  
HETATM    6  C   UNL     1       3.920  -0.111   1.015  1.00  0.00           C  
HETATM    7  C   UNL     1       7.200  -0.909  -1.465  1.00  0.00           C  
HETATM    8  C   UNL     1       8.402  -0.394  -1.093  1.00  0.00           C  
HETATM    9  C   UNL     1       7.536   0.610   0.814  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.424  -6.372   0.180  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.515   1.636   0.208  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.871  -4.983  -0.281  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.069  -4.538   0.518  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.743  -4.001  -0.088  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.435  -3.543   1.180  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.421  -2.619   1.352  1.00  0.00           C  
HETATM   17  C   UNL     1       0.282  -2.153   0.259  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.004  -2.637  -1.004  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.016  -3.561  -1.178  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.327  -4.089  -2.555  1.00  0.00           C  
HETATM   21  C   UNL     1       1.340  -1.092   0.435  1.00  0.00           C  
HETATM   22  N   UNL     1       2.473  -1.375  -0.449  1.00  0.00           N  
HETATM   23  C   UNL     1       3.739  -0.878  -0.141  1.00  0.00           C  
HETATM   24  N   UNL     1       8.544   0.335   0.007  1.00  0.00           N  
HETATM   25  O   UNL     1       1.211   0.922  -0.812  1.00  0.00           O  
HETATM   26  N   UNL     1      -0.348   0.677   0.782  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.031   1.874   0.245  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.373   2.715   0.339  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.742   2.534   0.262  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.259   1.272   0.057  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.405   0.182  -0.038  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.033   0.365   0.034  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.959  -1.103  -0.247  1.00  0.00           N  
HETATM   34  O   UNL     1      -4.714  -3.401  -0.098  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.178  -2.176   0.073  1.00  0.00           C  
HETATM   36  O   UNL     1      -3.047  -2.033   0.493  1.00  0.00           O  
HETATM   37  C   UNL     1      -0.811  -0.005   1.993  1.00  0.00           C  
HETATM   38  N   UNL     1       7.744   1.376   1.948  1.00  0.00           N  
HETATM   39  C   UNL     1      -2.811   4.095   0.569  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.985   4.656  -0.559  1.00  0.00           C  
HETATM   41  N   UNL     1      -1.814   4.112  -1.778  1.00  0.00           N  
HETATM   42  N   UNL     1      -1.040   4.902  -2.442  1.00  0.00           N  
HETATM   43  N   UNL     1      -0.727   5.902  -1.694  1.00  0.00           N  
HETATM   44  N   UNL     1      -1.297   5.772  -0.545  1.00  0.00           N  
HETATM   45  C   UNL     1      -2.401   4.462   1.996  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.659   5.077   1.380  1.00  0.00           C  
HETATM   47  H   UNL     1       5.267   0.980   2.234  1.00  0.00           H  
HETATM   48  H   UNL     1       4.659  -1.753  -1.864  1.00  0.00           H  
HETATM   49  H   UNL     1       3.074   0.096   1.654  1.00  0.00           H  
HETATM   50  H   UNL     1       7.110  -1.500  -2.365  1.00  0.00           H  
HETATM   51  H   UNL     1       9.267  -0.584  -1.711  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.152  -6.335   1.235  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.240  -7.081   0.040  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.562  -6.690  -0.406  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.146  -5.020  -1.335  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.779  -5.362   0.590  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.747  -4.253   1.519  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.985  -3.907   2.034  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.179  -2.261   2.342  1.00  0.00           H  
HETATM   60  H   UNL     1       0.565  -2.293  -1.855  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.813  -5.038  -2.705  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.402  -4.239  -2.652  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.992  -3.371  -3.303  1.00  0.00           H  
HETATM   64  H   UNL     1       1.676  -1.079   1.472  1.00  0.00           H  
HETATM   65  H   UNL     1       2.342  -1.907  -1.250  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.671   2.076  -0.764  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.817   2.731   0.884  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.406   3.381   0.362  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.327   1.132  -0.030  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.369  -0.483  -0.045  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.855  -1.217  -0.601  1.00  0.00           H  
HETATM   72  H   UNL     1       0.025  -0.527   2.458  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.214   0.729   2.691  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.588  -0.723   1.731  1.00  0.00           H  
HETATM   75  H   UNL     1       7.002   1.578   2.540  1.00  0.00           H  
HETATM   76  H   UNL     1       8.631   1.711   2.151  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.200   3.281  -2.098  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.537   3.706   2.770  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.533   5.109   2.119  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.619   6.129   1.098  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.623   4.725   1.748  1.00  0.00           H  
CONECT    1   25   25   26   21                                       
CONECT    2    6    3    3   47                                       
CONECT    3    2    2    4    9                                       
CONECT    4    5    5    3    7                                       
CONECT    5   23    4    4   48                                       
CONECT    6   23   23    2   49                                       
CONECT    7    4    8    8   50                                       
CONECT    8    7    7   24   51                                       
CONECT    9    3   38   24   24                                       
CONECT   10   12   52   53   54                                       
CONECT   11   28   28   32   27                                       
CONECT   12   13   14   10   55                                       
CONECT   13   34   12   56   57                                       
CONECT   14   19   12   15   15                                       
CONECT   15   14   14   16   58                                       
CONECT   16   17   17   15   59                                       
CONECT   17   18   21   16   16                                       
CONECT   18   19   19   17   60                                       
CONECT   19   20   18   18   14                                       
CONECT   20   19   61   62   63                                       
CONECT   21    1   22   17   64                                       
CONECT   22   21   23   65                                            
CONECT   23   22    6    6    5                                       
CONECT   24    9    9    8                                            
CONECT   25    1    1                                                 
CONECT   26   27    1   37                                            
CONECT   27   11   26   66   67                                       
CONECT   28   29   39   11   11                                       
CONECT   29   30   30   28   68                                       
CONECT   30   29   29   31   69                                       
CONECT   31   30   33   32   32                                       
CONECT   32   31   31   11   70                                       
CONECT   33   31   35   71                                            
CONECT   34   35   13                                                 
CONECT   35   33   34   36   36                                       
CONECT   36   35   35                                                 
CONECT   37   26   72   73   74                                       
CONECT   38    9   75   76                                            
CONECT   39   45   46   40   28                                       
CONECT   40   39   41   44   44                                       
CONECT   41   40   42   77                                            
CONECT   42   41   43   43                                            
CONECT   43   42   42   44                                            
CONECT   44   40   40   43                                            
CONECT   45   46   39   78   79                                       
CONECT   46   45   39   80   81                                       
CONECT   47    2                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   38                                                      
CONECT   77   41                                                      
CONECT   78   45                                                      
CONECT   79   45                                                      
CONECT   80   46                                                      
CONECT   81   46                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
