COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.405  -0.880  -2.181  1.00  0.00           C  
HETATM    2  C   UNL     1       0.390   0.179  -1.791  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.433  -0.016  -0.144  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.289  -2.413   0.099  1.00  0.00           C  
HETATM    5  C   UNL     1       3.875  -0.835   1.377  1.00  0.00           C  
HETATM    6  C   UNL     1       6.148  -0.098   0.999  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.787  -0.078   0.113  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.643  -2.461   0.360  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.738  -0.919  -1.817  1.00  0.00           C  
HETATM   10  C   UNL     1       3.440   0.467   1.274  1.00  0.00           C  
HETATM   11  C   UNL     1       5.708   1.202   0.902  1.00  0.00           C  
HETATM   12  C   UNL     1       1.887   6.560   0.016  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.149   1.210  -1.023  1.00  0.00           C  
HETATM   14  C   UNL     1       5.235  -1.128   1.242  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.674  -1.187  -0.156  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.391  -1.298   0.365  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.491   1.169  -0.651  1.00  0.00           C  
HETATM   18  C   UNL     1       2.258   4.399   0.165  1.00  0.00           C  
HETATM   19  C   UNL     1       4.353   1.491   1.037  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.284   0.105  -1.053  1.00  0.00           C  
HETATM   21  C   UNL     1       1.005   4.630  -0.430  1.00  0.00           C  
HETATM   22  C   UNL     1       2.681   3.080   0.350  1.00  0.00           C  
HETATM   23  C   UNL     1       0.704   2.348  -0.602  1.00  0.00           C  
HETATM   24  C   UNL     1       5.705  -2.522   1.357  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.224  -1.128  -0.437  1.00  0.00           C  
HETATM   26  C   UNL     1       7.324  -2.085  -0.435  1.00  0.00           C  
HETATM   27  C   UNL     1       7.083  -4.390   0.562  1.00  0.00           C  
HETATM   28  C   UNL     1       7.279  -2.744  -1.818  1.00  0.00           C  
HETATM   29  C   UNL     1       7.050  -4.938  -0.871  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.079   2.280   0.179  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.557  -2.237  -0.395  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.095  -1.951   2.044  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.457   0.054   0.598  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.869  -1.358   0.652  1.00  0.00           C  
HETATM   35  N   UNL     1       2.788   5.642   0.434  1.00  0.00           N  
HETATM   36  N   UNL     1       0.265   3.581  -0.796  1.00  0.00           N  
HETATM   37  N   UNL     1       1.882   2.094  -0.043  1.00  0.00           N  
HETATM   38  N   UNL     1       0.843   5.965  -0.490  1.00  0.00           N  
HETATM   39  N   UNL     1       6.665  -2.980   0.529  1.00  0.00           N  
HETATM   40  N   UNL     1       3.909   2.806   0.933  1.00  0.00           N  
HETATM   41  N   UNL     1      -3.632   0.058  -0.682  1.00  0.00           N  
HETATM   42  O   UNL     1       5.227  -3.257   2.200  1.00  0.00           O  
HETATM   43  O   UNL     1      -3.565  -2.149  -0.447  1.00  0.00           O  
HETATM   44  O   UNL     1       7.802  -4.071  -1.724  1.00  0.00           O  
HETATM   45  H   UNL     1       0.014  -1.678  -2.776  1.00  0.00           H  
HETATM   46  H   UNL     1       1.430   0.208  -2.080  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.963   0.937  -0.340  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.707  -3.323   0.091  1.00  0.00           H  
HETATM   49  H   UNL     1       3.166  -1.628   1.565  1.00  0.00           H  
HETATM   50  H   UNL     1       7.200  -0.322   0.895  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.377   0.826   0.119  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.120  -3.410   0.557  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.358  -1.747  -2.129  1.00  0.00           H  
HETATM   54  H   UNL     1       2.389   0.695   1.378  1.00  0.00           H  
HETATM   55  H   UNL     1       6.414   1.999   0.723  1.00  0.00           H  
HETATM   56  H   UNL     1       2.012   7.630   0.094  1.00  0.00           H  
HETATM   57  H   UNL     1       8.361  -1.926  -0.138  1.00  0.00           H  
HETATM   58  H   UNL     1       6.800  -1.129  -0.466  1.00  0.00           H  
HETATM   59  H   UNL     1       6.400  -4.962   1.190  1.00  0.00           H  
HETATM   60  H   UNL     1       8.096  -4.463   0.960  1.00  0.00           H  
HETATM   61  H   UNL     1       6.247  -2.783  -2.168  1.00  0.00           H  
HETATM   62  H   UNL     1       7.880  -2.164  -2.518  1.00  0.00           H  
HETATM   63  H   UNL     1       7.487  -5.936  -0.890  1.00  0.00           H  
HETATM   64  H   UNL     1       6.018  -4.985  -1.219  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.549   3.013  -0.476  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.826   1.869   0.859  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.289   2.761   0.755  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.626  -2.280  -0.187  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.396  -1.814  -1.387  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.138  -3.242  -0.356  1.00  0.00           H  
HETATM   71  H   UNL     1     -11.164  -1.994   2.251  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.676  -2.957   2.083  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.606  -1.325   2.790  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.967   0.680   1.344  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.296   0.477  -0.394  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.526   0.011   0.805  1.00  0.00           H  
HETATM   77  H   UNL     1       3.647   5.825   0.846  1.00  0.00           H  
HETATM   78  H   UNL     1       4.460   3.531   1.267  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.142   0.880  -0.602  1.00  0.00           H  
CONECT    1    2    2    9   45                                       
CONECT    2   13    1    1   46                                       
CONECT    3    7    7   15   47                                       
CONECT    4    8   15   15   48                                       
CONECT    5   10   14   14   49                                       
CONECT    6   11   11   14   50                                       
CONECT    7   16    3    3   51                                       
CONECT    8   16   16    4   52                                       
CONECT    9   20   20    1   53                                       
CONECT   10   19   19    5   54                                       
CONECT   11   19    6    6   55                                       
CONECT   12   38   38   35   56                                       
CONECT   13   23   17   17    2                                       
CONECT   14    5    5    6   24                                       
CONECT   15    4    4    3   25                                       
CONECT   16   34    8    8    7                                       
CONECT   17   30   13   13   20                                       
CONECT   18   35   21   21   22                                       
CONECT   19   40   10   10   11                                       
CONECT   20   17   41    9    9                                       
CONECT   21   38   18   18   36                                       
CONECT   22   18   40   37   37                                       
CONECT   23   36   36   37   13                                       
CONECT   24   14   39   42   42                                       
CONECT   25   15   43   43   41                                       
CONECT   26   39   28   57   58                                       
CONECT   27   29   39   59   60                                       
CONECT   28   44   26   61   62                                       
CONECT   29   27   44   63   64                                       
CONECT   30   17   65   66   67                                       
CONECT   31   34   68   69   70                                       
CONECT   32   34   71   72   73                                       
CONECT   33   34   74   75   76                                       
CONECT   34   33   32   16   31                                       
CONECT   35   12   18   77                                            
CONECT   36   21   23   23                                            
CONECT   37   22   22   23                                            
CONECT   38   12   12   21                                            
CONECT   39   27   24   26                                            
CONECT   40   22   19   78                                            
CONECT   41   25   20   79                                            
CONECT   42   24   24                                                 
CONECT   43   25   25                                                 
CONECT   44   29   28                                                 
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   35                                                      
CONECT   78   40                                                      
CONECT   79   41                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
