COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.271   0.590   0.132  1.00  0.00           C  
HETATM    2  O   UNL     1       9.853   0.698   0.277  1.00  0.00           O  
HETATM    3  C   UNL     1       9.089  -0.061  -0.549  1.00  0.00           C  
HETATM    4  C   UNL     1       9.684  -0.891  -1.478  1.00  0.00           C  
HETATM    5  C   UNL     1       8.908  -1.670  -2.324  1.00  0.00           C  
HETATM    6  C   UNL     1       7.533  -1.628  -2.254  1.00  0.00           C  
HETATM    7  C   UNL     1       6.906  -0.800  -1.327  1.00  0.00           C  
HETATM    8  N   UNL     1       5.586  -0.553  -1.030  1.00  0.00           N  
HETATM    9  C   UNL     1       5.527   0.373  -0.005  1.00  0.00           C  
HETATM   10  C   UNL     1       6.791   0.719   0.355  1.00  0.00           C  
HETATM   11  C   UNL     1       7.687  -0.012  -0.460  1.00  0.00           C  
HETATM   12  C   UNL     1       4.295   0.899   0.599  1.00  0.00           C  
HETATM   13  O   UNL     1       4.359   1.714   1.499  1.00  0.00           O  
HETATM   14  N   UNL     1       3.094   0.477   0.155  1.00  0.00           N  
HETATM   15  C   UNL     1       1.866   1.002   0.757  1.00  0.00           C  
HETATM   16  C   UNL     1       1.489   2.321   0.080  1.00  0.00           C  
HETATM   17  C   UNL     1       2.563   3.370   0.374  1.00  0.00           C  
HETATM   18  C   UNL     1       2.252   4.651  -0.404  1.00  0.00           C  
HETATM   19  C   UNL     1       2.582   3.675   1.873  1.00  0.00           C  
HETATM   20  C   UNL     1       0.750   0.006   0.571  1.00  0.00           C  
HETATM   21  O   UNL     1       0.961  -1.039  -0.007  1.00  0.00           O  
HETATM   22  N   UNL     1      -0.481   0.276   1.047  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.592  -0.638   0.768  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.649  -1.717   1.851  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.676  -2.781   1.457  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.815  -3.839   2.576  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.020  -5.134   1.761  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.390  -4.882   0.460  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.190  -3.568   0.261  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.692  -3.084  -0.734  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.886   0.133   0.758  1.00  0.00           C  
HETATM   32  O   UNL     1      -3.026   1.088   1.484  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.006  -0.287  -0.159  1.00  0.00           C  
HETATM   34  H   UNL     1      11.577  -0.440   0.315  1.00  0.00           H  
HETATM   35  H   UNL     1      11.556   0.880  -0.879  1.00  0.00           H  
HETATM   36  H   UNL     1      11.760   1.247   0.851  1.00  0.00           H  
HETATM   37  H   UNL     1      10.761  -0.935  -1.546  1.00  0.00           H  
HETATM   38  H   UNL     1       9.386  -2.315  -3.046  1.00  0.00           H  
HETATM   39  H   UNL     1       6.940  -2.239  -2.919  1.00  0.00           H  
HETATM   40  H   UNL     1       4.823  -0.961  -1.468  1.00  0.00           H  
HETATM   41  H   UNL     1       7.063   1.422   1.128  1.00  0.00           H  
HETATM   42  H   UNL     1       3.043  -0.173  -0.563  1.00  0.00           H  
HETATM   43  H   UNL     1       2.027   1.173   1.821  1.00  0.00           H  
HETATM   44  H   UNL     1       1.415   2.169  -0.997  1.00  0.00           H  
HETATM   45  H   UNL     1       0.530   2.666   0.465  1.00  0.00           H  
HETATM   46  H   UNL     1       3.538   2.988   0.069  1.00  0.00           H  
HETATM   47  H   UNL     1       1.278   5.033  -0.099  1.00  0.00           H  
HETATM   48  H   UNL     1       3.018   5.398  -0.194  1.00  0.00           H  
HETATM   49  H   UNL     1       2.239   4.433  -1.472  1.00  0.00           H  
HETATM   50  H   UNL     1       2.804   2.763   2.427  1.00  0.00           H  
HETATM   51  H   UNL     1       3.347   4.422   2.082  1.00  0.00           H  
HETATM   52  H   UNL     1       1.608   4.058   2.178  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.632   1.076   1.575  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.440  -1.107  -0.204  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.668  -2.180   1.955  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.940  -1.265   2.799  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.640  -2.319   1.247  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.906  -3.895   3.176  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.681  -3.631   3.204  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.536  -5.974   2.259  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.084  -5.335   1.633  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.149  -5.575  -0.175  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.680  -0.199  -1.195  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.279  -1.321   0.050  1.00  0.00           H  
HETATM   65  O   UNL     1      -5.158   0.571   0.059  1.00  0.00           O  
HETATM   66  C   UNL     1      -6.252   0.326  -0.687  1.00  0.00           C  
HETATM   67  C   UNL     1      -7.461   1.158  -0.519  1.00  0.00           C  
HETATM   68  C   UNL     1      -7.474   2.197   0.410  1.00  0.00           C  
HETATM   69  C   UNL     1      -8.607   2.972   0.563  1.00  0.00           C  
HETATM   70  C   UNL     1      -9.734   2.725  -0.202  1.00  0.00           C  
HETATM   71  C   UNL     1      -9.741   1.700  -1.128  1.00  0.00           C  
HETATM   72  C   UNL     1      -8.606   0.911  -1.301  1.00  0.00           C  
HETATM   73  O   UNL     1      -6.245  -0.578  -1.498  1.00  0.00           O  
HETATM   74  C   UNL     1      -8.608  -0.153  -2.260  1.00  0.00           C  
HETATM   75  N   UNL     1      -8.609  -0.997  -3.021  1.00  0.00           N  
HETATM   76  H   UNL     1      -6.599   2.395   1.011  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.614   3.776   1.284  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.615   3.337  -0.073  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.624   1.514  -1.721  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    3    1                                                 
CONECT    3    4    4   11    2                                       
CONECT    4    5    3    3   37                                       
CONECT    5    6    6    4   38                                       
CONECT    6    5    5    7   39                                       
CONECT    7    6    8   11   11                                       
CONECT    8    7    9   40                                            
CONECT    9    8   12   10   10                                       
CONECT   10    9    9   11   41                                       
CONECT   11    7    7    3   10                                       
CONECT   12   13   13    9   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   42                                            
CONECT   15   14   20   16   43                                       
CONECT   16   15   17   44   45                                       
CONECT   17   18   16   19   46                                       
CONECT   18   17   47   48   49                                       
CONECT   19   17   50   51   52                                       
CONECT   20   15   22   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   53                                            
CONECT   23   24   22   31   54                                       
CONECT   24   25   23   55   56                                       
CONECT   25   29   24   26   57                                       
CONECT   26   25   27   58   59                                       
CONECT   27   28   26   60   61                                       
CONECT   28   29   27   62                                            
CONECT   29   30   30   28   25                                       
CONECT   30   29   29                                                 
CONECT   31   23   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   63   64   65                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   33                                                      
CONECT   64   33                                                      
CONECT   65   33   66                                                 
CONECT   66   65   67   73   73                                       
CONECT   67   66   68   72   72                                       
CONECT   68   67   69   69   76                                       
CONECT   69   68   68   70   77                                       
CONECT   70   69   71   71   78                                       
CONECT   71   70   70   72   79                                       
CONECT   72   71   67   67   74                                       
CONECT   73   66   66                                                 
CONECT   74   72   75   75   75                                       
CONECT   75   74   74   74                                            
CONECT   76   68                                                      
CONECT   77   69                                                      
CONECT   78   70                                                      
CONECT   79   71                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
