COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.409   2.706   0.422  1.00  0.00           C  
HETATM    2  N   UNL     1       4.248   2.712  -0.100  1.00  0.00           N  
HETATM    3  O   UNL     1       2.841   1.526  -1.380  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.586   3.267  -0.695  1.00  0.00           C  
HETATM    5  O   UNL     1      -1.148   4.058  -1.461  1.00  0.00           O  
HETATM    6  O   UNL     1      -1.451  -1.434   1.110  1.00  0.00           O  
HETATM    7  C   UNL     1       1.490   2.589   1.389  1.00  0.00           C  
HETATM    8  C   UNL     1       1.650   1.067   1.379  1.00  0.00           C  
HETATM    9  C   UNL     1       2.452   3.196   2.412  1.00  0.00           C  
HETATM   10  C   UNL     1       3.000   2.398  -0.551  1.00  0.00           C  
HETATM   11  C   UNL     1       3.960  -3.831   0.387  1.00  0.00           C  
HETATM   12  C   UNL     1       2.774  -4.350  -0.430  1.00  0.00           C  
HETATM   13  C   UNL     1       1.567  -4.549   0.489  1.00  0.00           C  
HETATM   14  C   UNL     1       0.297  -4.663  -0.357  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.837  -3.888   0.315  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.489  -2.945  -0.697  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.706   0.633  -0.110  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.805  -1.627  -0.033  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.711   0.514   1.035  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.050   0.094   0.486  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.363  -1.248   0.379  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.591  -1.634  -0.125  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.507  -0.677  -0.521  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.194   0.665  -0.414  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.968   1.051   0.095  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.374   1.178   0.409  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.320   0.722  -0.443  1.00  0.00           O  
HETATM   28  N   UNL     1      -2.482  -0.682  -0.737  1.00  0.00           N  
HETATM   29  N   UNL     1       0.700   2.991  -0.941  1.00  0.00           N  
HETATM   30  C   UNL     1       1.806   3.143   0.003  1.00  0.00           C  
HETATM   31  C   UNL     1       5.324   1.801  -0.560  1.00  0.00           C  
HETATM   32  C   UNL     1       5.260   0.515   0.266  1.00  0.00           C  
HETATM   33  C   UNL     1       5.585  -0.686  -0.626  1.00  0.00           C  
HETATM   34  C   UNL     1       5.605  -1.957   0.225  1.00  0.00           C  
HETATM   35  C   UNL     1       4.934  -3.099  -0.539  1.00  0.00           C  
HETATM   36  H   UNL     1      -1.074   3.082   1.385  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.451   3.032   0.289  1.00  0.00           H  
HETATM   38  H   UNL     1       4.422   3.466   0.484  1.00  0.00           H  
HETATM   39  H   UNL     1       0.465   2.845   1.658  1.00  0.00           H  
HETATM   40  H   UNL     1       2.411   0.787   0.651  1.00  0.00           H  
HETATM   41  H   UNL     1       1.951   0.727   2.370  1.00  0.00           H  
HETATM   42  H   UNL     1       0.700   0.604   1.110  1.00  0.00           H  
HETATM   43  H   UNL     1       3.466   2.856   2.204  1.00  0.00           H  
HETATM   44  H   UNL     1       2.413   4.284   2.346  1.00  0.00           H  
HETATM   45  H   UNL     1       2.162   2.882   3.415  1.00  0.00           H  
HETATM   46  H   UNL     1       3.600  -3.145   1.153  1.00  0.00           H  
HETATM   47  H   UNL     1       4.470  -4.670   0.861  1.00  0.00           H  
HETATM   48  H   UNL     1       2.525  -3.628  -1.207  1.00  0.00           H  
HETATM   49  H   UNL     1       3.040  -5.302  -0.891  1.00  0.00           H  
HETATM   50  H   UNL     1       1.699  -5.460   1.071  1.00  0.00           H  
HETATM   51  H   UNL     1       1.481  -3.697   1.163  1.00  0.00           H  
HETATM   52  H   UNL     1       0.483  -4.255  -1.350  1.00  0.00           H  
HETATM   53  H   UNL     1       0.015  -5.713  -0.445  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.584  -4.591   0.688  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.437  -3.314   1.150  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.806  -2.772  -1.529  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.411  -3.391  -1.071  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.102   1.324  -0.862  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.361  -0.232   1.749  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.809   1.478   1.534  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.648  -1.996   0.688  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.836  -2.682  -0.209  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.466  -0.978  -0.915  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.909   1.413  -0.724  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.723   2.099   0.178  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.203   0.812   1.423  1.00  0.00           H  
HETATM   67  H   UNL     1       0.523   1.174  -0.302  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.812  -0.872  -1.636  1.00  0.00           H  
HETATM   69  H   UNL     1       0.923   2.656  -1.858  1.00  0.00           H  
HETATM   70  H   UNL     1       2.073   4.202   0.094  1.00  0.00           H  
HETATM   71  H   UNL     1       5.179   1.566  -1.615  1.00  0.00           H  
HETATM   72  H   UNL     1       6.293   2.279  -0.422  1.00  0.00           H  
HETATM   73  H   UNL     1       5.984   0.570   1.079  1.00  0.00           H  
HETATM   74  H   UNL     1       4.259   0.398   0.681  1.00  0.00           H  
HETATM   75  H   UNL     1       4.826  -0.777  -1.402  1.00  0.00           H  
HETATM   76  H   UNL     1       6.562  -0.541  -1.087  1.00  0.00           H  
HETATM   77  H   UNL     1       6.638  -2.227   0.448  1.00  0.00           H  
HETATM   78  H   UNL     1       5.070  -1.778   1.157  1.00  0.00           H  
HETATM   79  H   UNL     1       5.696  -3.798  -0.888  1.00  0.00           H  
HETATM   80  H   UNL     1       4.392  -2.699  -1.395  1.00  0.00           H  
CONECT    1   26    4   36   37                                       
CONECT    2   31   10   38                                            
CONECT    3   10   10                                                 
CONECT    4    1    5    5   29                                       
CONECT    5    4    4                                                 
CONECT    6   18   18                                                 
CONECT    7   30    9    8   39                                       
CONECT    8    7   40   41   42                                       
CONECT    9    7   43   44   45                                       
CONECT   10    3    3    2   30                                       
CONECT   11   12   35   46   47                                       
CONECT   12   13   11   48   49                                       
CONECT   13   12   14   50   51                                       
CONECT   14   13   15   52   53                                       
CONECT   15   14   16   54   55                                       
CONECT   16   15   18   56   57                                       
CONECT   17   28   26   19   58                                       
CONECT   18   16   28    6    6                                       
CONECT   19   17   20   59   60                                       
CONECT   20   25   19   21   21                                       
CONECT   21   20   20   22   61                                       
CONECT   22   23   23   21   62                                       
CONECT   23   24   22   22   63                                       
CONECT   24   25   25   23   64                                       
CONECT   25   24   24   20   65                                       
CONECT   26   27    1   17   66                                       
CONECT   27   26   67                                                 
CONECT   28   18   17   68                                            
CONECT   29    4   30   69                                            
CONECT   30   29   10    7   70                                       
CONECT   31   32    2   71   72                                       
CONECT   32   33   31   73   74                                       
CONECT   33   34   32   75   76                                       
CONECT   34   35   33   77   78                                       
CONECT   35   11   34   79   80                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
