COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.615   3.026  -4.344  1.00  0.00           O  
HETATM    2  C   UNL     1       1.920   2.140  -3.608  1.00  0.00           C  
HETATM    3  O   UNL     1       1.751   2.336  -2.423  1.00  0.00           O  
HETATM    4  C   UNL     1       1.357   0.916  -4.249  1.00  0.00           C  
HETATM    5  O   UNL     1       1.526   0.720  -5.435  1.00  0.00           O  
HETATM    6  N   UNL     1       0.661   0.028  -3.512  1.00  0.00           N  
HETATM    7  C   UNL     1       0.136  -1.113  -4.110  1.00  0.00           C  
HETATM    8  C   UNL     1       0.815  -2.322  -4.024  1.00  0.00           C  
HETATM    9  C   UNL     1       0.292  -3.453  -4.617  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.909  -3.393  -5.303  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.597  -2.203  -5.400  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.084  -1.051  -4.799  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.815   0.225  -4.899  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.314   1.246  -4.472  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.038   0.259  -5.463  1.00  0.00           O  
HETATM   16  C   UNL     1       0.467   0.253  -2.149  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.693   0.847  -1.700  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.896   1.077  -0.343  1.00  0.00           C  
HETATM   19  C   UNL     1       0.041   0.722   0.577  1.00  0.00           C  
HETATM   20  C   UNL     1       1.240   0.119   0.161  1.00  0.00           C  
HETATM   21  C   UNL     1       1.457  -0.124  -1.216  1.00  0.00           C  
HETATM   22  C   UNL     1       2.653  -0.731  -1.629  1.00  0.00           C  
HETATM   23  C   UNL     1       3.586  -1.082  -0.702  1.00  0.00           C  
HETATM   24  C   UNL     1       3.372  -0.848   0.654  1.00  0.00           C  
HETATM   25  C   UNL     1       2.224  -0.261   1.091  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.203   0.982   2.041  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.902  -0.227   2.664  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.181  -0.454   1.987  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.127   0.506   1.994  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.918   1.558   2.560  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.443   0.273   1.298  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.147   0.032   4.128  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.180   0.557   4.486  1.00  0.00           O  
HETATM   34  N   UNL     1      -0.218  -0.318   5.040  1.00  0.00           N  
HETATM   35  C   UNL     1      -0.457  -0.065   6.463  1.00  0.00           C  
HETATM   36  C   UNL     1       0.743  -0.555   7.276  1.00  0.00           C  
HETATM   37  C   UNL     1       0.494  -0.291   8.762  1.00  0.00           C  
HETATM   38  C   UNL     1       1.694  -0.781   9.575  1.00  0.00           C  
HETATM   39  C   UNL     1       1.445  -0.517  11.061  1.00  0.00           C  
HETATM   40  H   UNL     1       2.980   3.819  -3.928  1.00  0.00           H  
HETATM   41  H   UNL     1       1.753  -2.377  -3.491  1.00  0.00           H  
HETATM   42  H   UNL     1       0.824  -4.390  -4.547  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.309  -4.284  -5.764  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.534  -2.162  -5.937  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.517   1.096  -5.528  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.453   1.138  -2.411  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.813   1.544  -0.015  1.00  0.00           H  
HETATM   48  H   UNL     1       2.832  -0.919  -2.678  1.00  0.00           H  
HETATM   49  H   UNL     1       4.505  -1.549  -1.022  1.00  0.00           H  
HETATM   50  H   UNL     1       4.128  -1.136   1.370  1.00  0.00           H  
HETATM   51  H   UNL     1       2.071  -0.086   2.145  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.834   1.864   2.153  1.00  0.00           H  
HETATM   53  H   UNL     1       0.748   1.151   2.545  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.270  -1.108   2.552  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.348  -1.295   1.535  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.074   1.154   1.410  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.265   0.085   0.239  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.941  -0.589   1.742  1.00  0.00           H  
HETATM   59  H   UNL     1       0.607  -0.738   4.753  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.353  -0.598   6.781  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.593   1.003   6.624  1.00  0.00           H  
HETATM   62  H   UNL     1       1.639  -0.022   6.957  1.00  0.00           H  
HETATM   63  H   UNL     1       0.879  -1.624   7.114  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.401  -0.823   9.081  1.00  0.00           H  
HETATM   65  H   UNL     1       0.358   0.778   8.923  1.00  0.00           H  
HETATM   66  H   UNL     1       2.590  -0.248   9.256  1.00  0.00           H  
HETATM   67  H   UNL     1       1.830  -1.850   9.414  1.00  0.00           H  
HETATM   68  H   UNL     1       2.300  -0.865  11.640  1.00  0.00           H  
HETATM   69  H   UNL     1       1.309   0.552  11.223  1.00  0.00           H  
HETATM   70  H   UNL     1       0.549  -1.049  11.380  1.00  0.00           H  
CONECT    1    2   40                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    7   16                                            
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   41                                       
CONECT    9    8   10   10   42                                       
CONECT   10    9    9   11   43                                       
CONECT   11   10   12   12   44                                       
CONECT   12    7   11   11   13                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   45                                                 
CONECT   16    6   17   17   21                                       
CONECT   17   16   16   18   46                                       
CONECT   18   17   19   19   47                                       
CONECT   19   18   18   20   26                                       
CONECT   20   19   21   21   25                                       
CONECT   21   16   20   20   22                                       
CONECT   22   21   23   23   48                                       
CONECT   23   22   22   24   49                                       
CONECT   24   23   25   25   50                                       
CONECT   25   20   24   24   51                                       
CONECT   26   19   27   52   53                                       
CONECT   27   26   28   32   54                                       
CONECT   28   27   29   55                                            
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   56   57   58                                       
CONECT   32   27   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35   59                                            
CONECT   35   34   36   60   61                                       
CONECT   36   35   37   62   63                                       
CONECT   37   36   38   64   65                                       
CONECT   38   37   39   66   67                                       
CONECT   39   38   68   69   70                                       
CONECT   40    1                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   15                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   31                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   34                                                      
CONECT   60   35                                                      
CONECT   61   35                                                      
CONECT   62   36                                                      
CONECT   63   36                                                      
CONECT   64   37                                                      
CONECT   65   37                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
CONECT   68   39                                                      
CONECT   69   39                                                      
CONECT   70   39                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
