COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.327   3.020   1.906  1.00  0.00           C  
HETATM    2  O   UNL     1       8.276   2.097   1.610  1.00  0.00           O  
HETATM    3  C   UNL     1       8.507   1.196   0.621  1.00  0.00           C  
HETATM    4  N   UNL     1       9.606   1.089  -0.092  1.00  0.00           N  
HETATM    5  N   UNL     1       9.492   0.131  -0.944  1.00  0.00           N  
HETATM    6  N   UNL     1       7.648   0.238   0.192  1.00  0.00           N  
HETATM    7  C   UNL     1       8.303  -0.431  -0.819  1.00  0.00           C  
HETATM    8  C   UNL     1       7.653  -1.495  -1.474  1.00  0.00           C  
HETATM    9  C   UNL     1       6.393  -1.834  -1.096  1.00  0.00           C  
HETATM   10  N   UNL     1       6.356  -0.142   0.560  1.00  0.00           N  
HETATM   11  C   UNL     1       5.749  -1.125  -0.062  1.00  0.00           C  
HETATM   12  N   UNL     1       4.458  -1.482   0.315  1.00  0.00           N  
HETATM   13  C   UNL     1       3.710  -2.494  -0.442  1.00  0.00           C  
HETATM   14  C   UNL     1       2.358  -1.903  -0.853  1.00  0.00           C  
HETATM   15  C   UNL     1       3.820  -0.858   1.482  1.00  0.00           C  
HETATM   16  C   UNL     1       2.467  -0.281   1.054  1.00  0.00           C  
HETATM   17  C   UNL     1       1.633  -1.386   0.391  1.00  0.00           C  
HETATM   18  C   UNL     1       0.287  -0.835  -0.005  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.866  -1.381   0.527  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.101  -0.877   0.166  1.00  0.00           C  
HETATM   21  C   UNL     1       0.208   0.221  -0.895  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.023   0.729  -1.258  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.183   0.178  -0.731  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.396   0.676  -1.088  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.404   1.762  -2.016  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.848   2.184  -2.295  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.447   2.717  -1.069  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.347   4.147  -0.767  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.111   1.865  -0.192  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.684   2.387   0.985  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.335   1.566   1.850  1.00  0.00           C  
HETATM   32  N   UNL     1      -6.200   0.587  -0.474  1.00  0.00           N  
HETATM   33  N   UNL     1      -6.862  -0.285   0.392  1.00  0.00           N  
HETATM   34  C   UNL     1      -7.428   0.193   1.553  1.00  0.00           C  
HETATM   35  N   UNL     1      -7.976  -0.841   2.167  1.00  0.00           N  
HETATM   36  N   UNL     1      -7.782  -1.906   1.471  1.00  0.00           N  
HETATM   37  C   UNL     1      -7.114  -1.618   0.376  1.00  0.00           C  
HETATM   38  O   UNL     1      -6.737  -2.495  -0.589  1.00  0.00           O  
HETATM   39  C   UNL     1      -7.110  -3.862  -0.405  1.00  0.00           C  
HETATM   40  H   UNL     1      10.217   2.470   2.212  1.00  0.00           H  
HETATM   41  H   UNL     1       9.552   3.611   1.018  1.00  0.00           H  
HETATM   42  H   UNL     1       9.012   3.682   2.713  1.00  0.00           H  
HETATM   43  H   UNL     1       8.150  -2.035  -2.267  1.00  0.00           H  
HETATM   44  H   UNL     1       5.882  -2.647  -1.590  1.00  0.00           H  
HETATM   45  H   UNL     1       4.273  -2.773  -1.333  1.00  0.00           H  
HETATM   46  H   UNL     1       3.550  -3.373   0.182  1.00  0.00           H  
HETATM   47  H   UNL     1       3.668  -1.607   2.260  1.00  0.00           H  
HETATM   48  H   UNL     1       4.455  -0.057   1.862  1.00  0.00           H  
HETATM   49  H   UNL     1       2.517  -1.080  -1.550  1.00  0.00           H  
HETATM   50  H   UNL     1       1.754  -2.674  -1.332  1.00  0.00           H  
HETATM   51  H   UNL     1       1.495  -2.205   1.098  1.00  0.00           H  
HETATM   52  H   UNL     1       1.940   0.099   1.929  1.00  0.00           H  
HETATM   53  H   UNL     1       2.625   0.530   0.343  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.802  -2.202   1.225  1.00  0.00           H  
HETATM   55  H   UNL     1       1.111   0.648  -1.306  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.002  -1.304   0.581  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.084   1.553  -1.954  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.855   2.604  -1.594  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.931   1.449  -2.947  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.859   2.952  -3.069  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.420   1.319  -2.633  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.202   4.669  -1.195  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.337   4.289   0.314  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.427   4.545  -1.194  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.605   3.443   1.200  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.775   1.962   2.754  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.670  -4.237   0.520  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.196  -3.939  -0.347  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.748  -4.455  -1.245  1.00  0.00           H  
CONECT    1    2   40   41   42                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    6                                       
CONECT    4    3    3    5                                            
CONECT    5    4    7    7                                            
CONECT    6    3    7   10                                            
CONECT    7    5    5    6    8                                       
CONECT    8    7    9    9   43                                       
CONECT    9    8    8   11   44                                       
CONECT   10    6   11   11                                            
CONECT   11    9   10   10   12                                       
CONECT   12   11   13   15                                            
CONECT   13   12   14   45   46                                       
CONECT   14   13   17   49   50                                       
CONECT   15   12   16   47   48                                       
CONECT   16   15   17   52   53                                       
CONECT   17   14   16   18   51                                       
CONECT   18   17   19   21   21                                       
CONECT   19   18   20   20   54                                       
CONECT   20   19   19   23   56                                       
CONECT   21   18   18   22   55                                       
CONECT   22   21   23   23   57                                       
CONECT   23   20   22   22   24                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   58   59                                       
CONECT   26   25   27   60   61                                       
CONECT   27   26   28   29                                            
CONECT   28   27   62   63   64                                       
CONECT   29   27   30   32   32                                       
CONECT   30   29   31   31   65                                       
CONECT   31   30   30   34   66                                       
CONECT   32   29   29   33                                            
CONECT   33   32   34   37                                            
CONECT   34   31   33   35   35                                       
CONECT   35   34   34   36                                            
CONECT   36   35   37   37                                            
CONECT   37   33   36   36   38                                       
CONECT   38   37   39                                                 
CONECT   39   38   67   68   69                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   17                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   19                                                      
CONECT   55   21                                                      
CONECT   56   20                                                      
CONECT   57   22                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   39                                                      
CONECT   68   39                                                      
CONECT   69   39                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
