COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.810  -1.613   0.449  1.00  0.00           C  
HETATM    2  C   UNL     1       2.051  -2.834  -0.075  1.00  0.00           C  
HETATM    3  C   UNL     1       0.843  -2.356  -0.888  1.00  0.00           C  
HETATM    4  C   UNL     1       0.013  -1.391  -0.033  1.00  0.00           C  
HETATM    5  C   UNL     1       0.927  -0.286   0.505  1.00  0.00           C  
HETATM    6  C   UNL     1       0.098   0.675   1.367  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.109   1.153   0.553  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.869  -0.066   0.026  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.748   2.846   0.521  1.00  0.00           C  
HETATM   10  O   UNL     1       1.962  -0.853   1.307  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.020  -0.827  -0.840  1.00  0.00           O  
HETATM   12  N   UNL     1       2.937  -3.636  -0.929  1.00  0.00           N  
HETATM   13  N   UNL     1      -1.994   1.953   1.410  1.00  0.00           N  
HETATM   14  O   UNL     1      -0.354  -0.001   2.542  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.021   0.368  -0.699  1.00  0.00           O  
HETATM   16  O   UNL     1       3.223  -0.802  -0.652  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.812  -0.795  -0.955  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.928  -0.444  -1.941  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.789   0.675  -1.347  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.261   0.242   0.046  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.045  -0.160   0.883  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.505  -0.563   2.285  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.378  -1.261   0.268  1.00  0.00           O  
HETATM   24  N   UNL     1      -6.961   1.357   0.698  1.00  0.00           N  
HETATM   25  O   UNL     1      -4.356  -0.004  -3.174  1.00  0.00           O  
HETATM   26  O   UNL     1      -6.921   0.911  -2.186  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.363  -0.820   3.106  1.00  0.00           O  
HETATM   28  C   UNL     1       4.205   0.107  -0.151  1.00  0.00           C  
HETATM   29  C   UNL     1       5.598  -0.502  -0.323  1.00  0.00           C  
HETATM   30  C   UNL     1       6.650   0.471   0.214  1.00  0.00           C  
HETATM   31  C   UNL     1       6.569   1.788  -0.561  1.00  0.00           C  
HETATM   32  C   UNL     1       5.176   2.397  -0.390  1.00  0.00           C  
HETATM   33  C   UNL     1       4.125   1.424  -0.927  1.00  0.00           C  
HETATM   34  N   UNL     1       7.579   2.722  -0.046  1.00  0.00           N  
HETATM   35  N   UNL     1       2.787   2.008  -0.762  1.00  0.00           N  
HETATM   36  O   UNL     1       5.673  -1.731   0.401  1.00  0.00           O  
HETATM   37  O   UNL     1       7.951  -0.097   0.054  1.00  0.00           O  
HETATM   38  H   UNL     1       3.688  -1.943   1.006  1.00  0.00           H  
HETATM   39  H   UNL     1       1.709  -3.439   0.765  1.00  0.00           H  
HETATM   40  H   UNL     1       1.188  -1.839  -1.784  1.00  0.00           H  
HETATM   41  H   UNL     1       0.231  -3.213  -1.171  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.431  -1.933   0.802  1.00  0.00           H  
HETATM   43  H   UNL     1       1.368   0.260  -0.329  1.00  0.00           H  
HETATM   44  H   UNL     1       0.710   1.531   1.650  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.767   1.760  -0.285  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.182  -0.688   0.865  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.055   3.486  -0.024  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.327   2.252  -0.187  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.423   3.464   1.113  1.00  0.00           H  
HETATM   50  H   UNL     1       3.716  -3.918  -0.354  1.00  0.00           H  
HETATM   51  H   UNL     1       2.430  -4.476  -1.165  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.399   2.540   1.974  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.877   0.637   3.047  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.181  -1.574  -1.383  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.547  -1.324  -2.120  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.197   1.587  -1.265  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.937  -0.609  -0.047  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.360   0.684   0.955  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.091   0.246   2.722  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.117  -1.463   2.223  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.750   1.585   0.114  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.335   0.997   1.564  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.824  -0.736  -3.513  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.578   1.181  -3.049  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.697  -1.070   3.978  1.00  0.00           H  
HETATM   66  H   UNL     1       4.019   0.296   0.906  1.00  0.00           H  
HETATM   67  H   UNL     1       5.784  -0.691  -1.380  1.00  0.00           H  
HETATM   68  H   UNL     1       6.464   0.661   1.271  1.00  0.00           H  
HETATM   69  H   UNL     1       6.755   1.599  -1.619  1.00  0.00           H  
HETATM   70  H   UNL     1       5.119   3.335  -0.942  1.00  0.00           H  
HETATM   71  H   UNL     1       4.990   2.586   0.667  1.00  0.00           H  
HETATM   72  H   UNL     1       4.311   1.234  -1.984  1.00  0.00           H  
HETATM   73  H   UNL     1       7.490   3.571  -0.584  1.00  0.00           H  
HETATM   74  H   UNL     1       7.309   2.948   0.900  1.00  0.00           H  
HETATM   75  H   UNL     1       2.818   2.925  -1.182  1.00  0.00           H  
HETATM   76  H   UNL     1       2.157   1.453  -1.322  1.00  0.00           H  
HETATM   77  H   UNL     1       6.565  -2.081   0.267  1.00  0.00           H  
HETATM   78  H   UNL     1       7.959  -0.923   0.557  1.00  0.00           H  
CONECT    1    2   10   16   38                                       
CONECT    2    1    3   12   39                                       
CONECT    3    2    4   40   41                                       
CONECT    4    3    5   11   42                                       
CONECT    5    4    6   10   43                                       
CONECT    6    5    7   14   44                                       
CONECT    7    6    8   13   45                                       
CONECT    8    7   11   15   46                                       
CONECT    9   13   47   48   49                                       
CONECT   10    1    5                                                 
CONECT   11    4    8                                                 
CONECT   12    2   50   51                                            
CONECT   13    7    9   52                                            
CONECT   14    6   53                                                 
CONECT   15    8   17                                                 
CONECT   16    1   28                                                 
CONECT   17   15   18   23   54                                       
CONECT   18   17   19   25   55                                       
CONECT   19   18   20   26   56                                       
CONECT   20   19   21   24   57                                       
CONECT   21   20   22   23   58                                       
CONECT   22   21   27   59   60                                       
CONECT   23   17   21                                                 
CONECT   24   20   61   62                                            
CONECT   25   18   63                                                 
CONECT   26   19   64                                                 
CONECT   27   22   65                                                 
CONECT   28   16   29   33   66                                       
CONECT   29   28   30   36   67                                       
CONECT   30   29   31   37   68                                       
CONECT   31   30   32   34   69                                       
CONECT   32   31   33   70   71                                       
CONECT   33   28   32   35   72                                       
CONECT   34   31   73   74                                            
CONECT   35   33   75   76                                            
CONECT   36   29   77                                                 
CONECT   37   30   78                                                 
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
