COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.762   0.215  -1.634  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.302  -0.029  -2.023  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.493   1.213  -1.749  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.998  -2.150  -1.043  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.579   3.179  -2.527  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.038   3.464  -1.288  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.280   2.079  -2.720  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.245   2.579  -0.241  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.678   2.856   1.128  1.00  0.00           C  
HETATM   10  C   UNL     1       1.837   3.057   0.850  1.00  0.00           C  
HETATM   11  C   UNL     1       0.811   1.005   1.670  1.00  0.00           C  
HETATM   12  N   UNL     1       0.661   2.269   1.229  1.00  0.00           N  
HETATM   13  C   UNL     1       2.166   0.448   1.871  1.00  0.00           C  
HETATM   14  C   UNL     1       2.440  -0.340   2.990  1.00  0.00           C  
HETATM   15  C   UNL     1       3.705  -0.859   3.175  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.167   0.322   1.903  1.00  0.00           O  
HETATM   17  C   UNL     1       3.173   0.704   0.941  1.00  0.00           C  
HETATM   18  C   UNL     1       4.440   0.179   1.136  1.00  0.00           C  
HETATM   19  O   UNL     1       5.424   0.426   0.233  1.00  0.00           O  
HETATM   20  C   UNL     1       5.846  -0.603  -0.549  1.00  0.00           C  
HETATM   21  C   UNL     1       6.927  -0.430  -1.401  1.00  0.00           C  
HETATM   22  C   UNL     1       7.354  -1.477  -2.194  1.00  0.00           C  
HETATM   23  C   UNL     1       6.704  -2.697  -2.140  1.00  0.00           C  
HETATM   24  C   UNL     1       5.626  -2.871  -1.292  1.00  0.00           C  
HETATM   25  C   UNL     1       5.199  -1.829  -0.492  1.00  0.00           C  
HETATM   26  C   UNL     1       4.705  -0.599   2.256  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.988   1.433  -0.482  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.566  -1.068  -1.857  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.749  -1.192  -1.196  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.611  -2.435  -1.431  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.090  -1.836   0.389  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.561  -1.791   0.808  1.00  0.00           C  
HETATM   33  N   UNL     1      -6.653  -1.477   2.240  1.00  0.00           N  
HETATM   34  C   UNL     1      -8.054  -1.426   2.679  1.00  0.00           C  
HETATM   35  H   UNL     1      -4.816   0.500  -0.583  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.175   1.015  -2.250  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.244  -0.276  -3.083  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.426   3.866  -3.347  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.464   4.366  -1.136  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.615   3.933   1.284  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.325   2.416   1.886  1.00  0.00           H  
HETATM   42  H   UNL     1       2.043   2.915  -0.211  1.00  0.00           H  
HETATM   43  H   UNL     1       1.645   4.113   1.045  1.00  0.00           H  
HETATM   44  H   UNL     1       2.697   2.730   1.434  1.00  0.00           H  
HETATM   45  H   UNL     1       1.662  -0.544   3.711  1.00  0.00           H  
HETATM   46  H   UNL     1       3.916  -1.469   4.041  1.00  0.00           H  
HETATM   47  H   UNL     1       2.966   1.309   0.071  1.00  0.00           H  
HETATM   48  H   UNL     1       7.435   0.522  -1.444  1.00  0.00           H  
HETATM   49  H   UNL     1       8.196  -1.344  -2.858  1.00  0.00           H  
HETATM   50  H   UNL     1       7.039  -3.514  -2.762  1.00  0.00           H  
HETATM   51  H   UNL     1       5.120  -3.825  -1.252  1.00  0.00           H  
HETATM   52  H   UNL     1       4.358  -1.966   0.171  1.00  0.00           H  
HETATM   53  H   UNL     1       5.693  -1.007   2.406  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.170   0.723   0.311  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.604  -0.901  -1.567  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.523  -1.344  -2.910  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.722  -1.399  -1.499  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.771  -0.930  -0.138  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.228  -3.261  -0.833  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.578  -2.705  -2.487  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.572  -2.604   0.963  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.629  -0.867   0.579  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.079  -1.024   0.234  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.022  -2.761   0.618  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.176  -0.614   2.452  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.093  -1.192   3.743  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.582  -0.656   2.118  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.526  -2.393   2.502  1.00  0.00           H  
CONECT    1   28    2   35   36                                       
CONECT    2    1    3   29   37                                       
CONECT    3   27    2    7    7                                       
CONECT    4   31   28   30                                            
CONECT    5    6    6    7   38                                       
CONECT    6    8    5    5   39                                       
CONECT    7    3    3    5                                            
CONECT    8    9   27   27    6                                       
CONECT    9   12    8   40   41                                       
CONECT   10   12   42   43   44                                       
CONECT   11   16   16   12   13                                       
CONECT   12   10   11    9                                            
CONECT   13   11   14   14   17                                       
CONECT   14   13   13   15   45                                       
CONECT   15   14   26   26   46                                       
CONECT   16   11   11                                                 
CONECT   17   13   18   18   47                                       
CONECT   18   17   17   26   19                                       
CONECT   19   18   20                                                 
CONECT   20   25   19   21   21                                       
CONECT   21   20   20   22   48                                       
CONECT   22   23   23   21   49                                       
CONECT   23   24   22   22   50                                       
CONECT   24   25   25   23   51                                       
CONECT   25   24   24   20   52                                       
CONECT   26   15   15   18   53                                       
CONECT   27    8    8    3   54                                       
CONECT   28    1    4   55   56                                       
CONECT   29    2   30   57   58                                       
CONECT   30    4   29   59   60                                       
CONECT   31   32    4   61   62                                       
CONECT   32   33   31   63   64                                       
CONECT   33   34   32   65                                            
CONECT   34   33   66   67   68                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   17                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
