COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.531   2.857  -0.283  1.00  0.00           C  
HETATM    2  C   UNL     1       2.472   4.213  -0.194  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.129   1.991  -0.099  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.108   2.053  -1.038  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.204  -0.124  -0.475  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.706  -1.340   1.261  1.00  0.00           C  
HETATM    7  C   UNL     1       5.494   0.691   0.421  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.623  -3.320   2.138  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.184  -1.423  -0.249  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.410   0.786  -1.143  1.00  0.00           C  
HETATM   11  C   UNL     1       0.134   2.755  -0.133  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.938   4.766   0.064  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.740   0.581   0.609  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.170   1.146  -0.607  1.00  0.00           C  
HETATM   15  N   UNL     1      -9.524  -2.209   1.183  1.00  0.00           N  
HETATM   16  C   UNL     1      -9.326  -2.707  -0.185  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.499  -1.695  -0.981  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.285  -0.390  -1.120  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.201  -2.262  -2.371  1.00  0.00           C  
HETATM   20  O   UNL     1      -6.411  -0.478  -0.992  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.775  -0.680   0.728  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.555  -0.333   1.266  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.497   1.112   0.893  1.00  0.00           N  
HETATM   24  C   UNL     1       1.351   2.099  -0.254  1.00  0.00           C  
HETATM   25  C   UNL     1       0.121   4.170  -0.044  1.00  0.00           C  
HETATM   26  N   UNL     1       1.280   4.856  -0.077  1.00  0.00           N  
HETATM   27  N   UNL     1       3.774   2.216  -0.410  1.00  0.00           N  
HETATM   28  C   UNL     1       4.146   1.284   0.490  1.00  0.00           C  
HETATM   29  O   UNL     1       3.371   0.933   1.358  1.00  0.00           O  
HETATM   30  C   UNL     1       6.011  -0.268   1.270  1.00  0.00           C  
HETATM   31  C   UNL     1       6.496   0.992  -0.528  1.00  0.00           C  
HETATM   32  N   UNL     1       7.543   0.262  -0.256  1.00  0.00           N  
HETATM   33  N   UNL     1       7.263  -0.531   0.862  1.00  0.00           N  
HETATM   34  C   UNL     1       8.182  -1.489   1.483  1.00  0.00           C  
HETATM   35  C   UNL     1       8.660  -2.472   0.445  1.00  0.00           C  
HETATM   36  C   UNL     1       9.802  -2.203  -0.286  1.00  0.00           C  
HETATM   37  C   UNL     1      10.241  -3.104  -1.238  1.00  0.00           C  
HETATM   38  C   UNL     1       9.538  -4.274  -1.459  1.00  0.00           C  
HETATM   39  C   UNL     1       8.396  -4.542  -0.727  1.00  0.00           C  
HETATM   40  C   UNL     1       7.960  -3.644   0.229  1.00  0.00           C  
HETATM   41  H   UNL     1       3.386   4.788  -0.218  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.102   2.657  -1.933  1.00  0.00           H  
HETATM   43  H   UNL     1     -10.774  -0.908   2.260  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.618  -0.541   0.525  1.00  0.00           H  
HETATM   45  H   UNL     1     -11.602  -1.926   1.056  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.458  -3.964   1.861  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.698  -3.897   2.123  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.788  -2.924   3.141  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.396  -1.019   0.742  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.623  -2.353  -0.149  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.744   1.217  -2.076  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.800  -3.661  -0.152  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.295  -2.843  -0.666  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.790   0.257  -1.845  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.297  -0.610  -1.461  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.328   0.113  -0.154  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.641  -3.192  -2.272  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.138  -2.456  -2.893  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.611  -1.541  -2.938  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.404  -1.391   1.243  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.232  -0.771   2.198  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.964   0.897   1.675  1.00  0.00           H  
HETATM   63  H   UNL     1       1.389   1.022  -0.324  1.00  0.00           H  
HETATM   64  H   UNL     1       1.263   5.824  -0.015  1.00  0.00           H  
HETATM   65  H   UNL     1       4.364   2.443  -1.145  1.00  0.00           H  
HETATM   66  H   UNL     1       5.503  -0.722   2.108  1.00  0.00           H  
HETATM   67  H   UNL     1       6.410   1.701  -1.338  1.00  0.00           H  
HETATM   68  H   UNL     1       9.036  -0.956   1.899  1.00  0.00           H  
HETATM   69  H   UNL     1       7.665  -2.025   2.279  1.00  0.00           H  
HETATM   70  H   UNL     1      10.351  -1.289  -0.114  1.00  0.00           H  
HETATM   71  H   UNL     1      11.133  -2.894  -1.810  1.00  0.00           H  
HETATM   72  H   UNL     1       9.880  -4.978  -2.203  1.00  0.00           H  
HETATM   73  H   UNL     1       7.846  -5.456  -0.900  1.00  0.00           H  
HETATM   74  H   UNL     1       7.071  -3.856   0.803  1.00  0.00           H  
CONECT    1   27   24    2    2                                       
CONECT    2    1    1   26   41                                       
CONECT    3    4    4   11   23                                       
CONECT    4    3    3   14   42                                       
CONECT    5   10   20   21   21                                       
CONECT    6   15   43   44   45                                       
CONECT    7   30   30   31   28                                       
CONECT    8   15   46   47   48                                       
CONECT    9   20   17   49   50                                       
CONECT   10   14   14    5   51                                       
CONECT   11   24   24    3   25                                       
CONECT   12   25   25                                                 
CONECT   13   14   23   22   22                                       
CONECT   14    4   10   10   13                                       
CONECT   15    8    6   16                                            
CONECT   16   15   17   52   53                                       
CONECT   17    9   16   19   18                                       
CONECT   18   17   54   55   56                                       
CONECT   19   17   57   58   59                                       
CONECT   20    9    5                                                 
CONECT   21    5    5   22   60                                       
CONECT   22   13   13   21   61                                       
CONECT   23    3   13   62                                            
CONECT   24    1   11   11   63                                       
CONECT   25   11   26   12   12                                       
CONECT   26    2   25   64                                            
CONECT   27   28    1   65                                            
CONECT   28    7   29   29   27                                       
CONECT   29   28   28                                                 
CONECT   30   33    7    7   66                                       
CONECT   31   32   32    7   67                                       
CONECT   32   33   31   31                                            
CONECT   33   34   32   30                                            
CONECT   34   33   35   68   69                                       
CONECT   35   34   40   40   36                                       
CONECT   36   35   37   37   70                                       
CONECT   37   36   36   38   71                                       
CONECT   38   39   39   37   72                                       
CONECT   39   40   38   38   73                                       
CONECT   40   35   35   39   74                                       
CONECT   41    2                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
