COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.810  -1.060  -3.115  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.491  -1.764  -1.939  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.755  -0.752  -0.822  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.478  -0.262  -0.295  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.848   0.764  -0.900  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.339   1.284  -1.883  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.562   1.257  -0.368  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.997   0.658   0.766  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.810   1.102   1.268  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.142   2.161   0.658  1.00  0.00           C  
HETATM   11  N   UNL     1       1.038   2.811   0.929  1.00  0.00           N  
HETATM   12  C   UNL     1       1.939   2.489   2.038  1.00  0.00           C  
HETATM   13  C   UNL     1       2.945   1.462   1.586  1.00  0.00           C  
HETATM   14  C   UNL     1       4.145   1.870   1.032  1.00  0.00           C  
HETATM   15  C   UNL     1       5.070   0.933   0.616  1.00  0.00           C  
HETATM   16  C   UNL     1       4.792  -0.426   0.756  1.00  0.00           C  
HETATM   17  C   UNL     1       3.581  -0.831   1.315  1.00  0.00           C  
HETATM   18  C   UNL     1       2.667   0.115   1.732  1.00  0.00           C  
HETATM   19  C   UNL     1       5.781  -1.436   0.310  1.00  0.00           C  
HETATM   20  C   UNL     1       7.066  -1.442   0.845  1.00  0.00           C  
HETATM   21  C   UNL     1       7.984  -2.385   0.428  1.00  0.00           C  
HETATM   22  C   UNL     1       7.635  -3.330  -0.523  1.00  0.00           C  
HETATM   23  C   UNL     1       6.367  -3.342  -1.064  1.00  0.00           C  
HETATM   24  C   UNL     1       5.424  -2.400  -0.651  1.00  0.00           C  
HETATM   25  C   UNL     1       4.064  -2.410  -1.222  1.00  0.00           C  
HETATM   26  O   UNL     1       3.284  -1.520  -0.950  1.00  0.00           O  
HETATM   27  O   UNL     1       3.687  -3.408  -2.045  1.00  0.00           O  
HETATM   28  C   UNL     1       1.247   3.803   0.010  1.00  0.00           C  
HETATM   29  C   UNL     1       2.439   4.726  -0.011  1.00  0.00           C  
HETATM   30  C   UNL     1       0.235   3.833  -0.871  1.00  0.00           C  
HETATM   31  C   UNL     1       0.086   4.777  -2.036  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.699   2.772  -0.482  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.909   2.313  -0.997  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.534  -1.415   0.284  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.900  -1.228   0.375  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.615  -1.837   1.389  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.964  -2.633   2.313  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.597  -2.820   2.221  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.883  -2.216   1.203  1.00  0.00           C  
HETATM   40  H   UNL     1      -3.865  -0.630  -2.783  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.622  -1.781  -3.910  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.458  -0.268  -3.489  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.436  -2.194  -2.271  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.842  -2.556  -1.565  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.329   0.086  -1.219  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.087  -0.677   0.490  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.507  -0.164   1.246  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.386   0.630   2.143  1.00  0.00           H  
HETATM   49  H   UNL     1       2.461   3.392   2.356  1.00  0.00           H  
HETATM   50  H   UNL     1       1.362   2.090   2.872  1.00  0.00           H  
HETATM   51  H   UNL     1       4.359   2.923   0.925  1.00  0.00           H  
HETATM   52  H   UNL     1       6.006   1.253   0.183  1.00  0.00           H  
HETATM   53  H   UNL     1       3.360  -1.882   1.425  1.00  0.00           H  
HETATM   54  H   UNL     1       1.730  -0.198   2.170  1.00  0.00           H  
HETATM   55  H   UNL     1       7.345  -0.708   1.586  1.00  0.00           H  
HETATM   56  H   UNL     1       8.980  -2.385   0.845  1.00  0.00           H  
HETATM   57  H   UNL     1       8.362  -4.063  -0.842  1.00  0.00           H  
HETATM   58  H   UNL     1       6.102  -4.082  -1.804  1.00  0.00           H  
HETATM   59  H   UNL     1       2.786  -3.372  -2.395  1.00  0.00           H  
HETATM   60  H   UNL     1       3.229   4.285  -0.618  1.00  0.00           H  
HETATM   61  H   UNL     1       2.147   5.686  -0.436  1.00  0.00           H  
HETATM   62  H   UNL     1       2.801   4.874   1.006  1.00  0.00           H  
HETATM   63  H   UNL     1       0.555   4.341  -2.918  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.972   4.948  -2.233  1.00  0.00           H  
HETATM   65  H   UNL     1       0.569   5.725  -1.799  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.341   2.778  -1.871  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.410  -0.606  -0.346  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.683  -1.690   1.461  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.522  -3.109   3.105  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.088  -3.442   2.943  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.816  -2.366   1.129  1.00  0.00           H  
CONECT    1    2   40   41   42                                       
CONECT    2    1    3   43   44                                       
CONECT    3    2    4   34   45                                       
CONECT    4    3    5   46                                            
CONECT    5    4    7    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    8   33                                       
CONECT    8    7    7    9   47                                       
CONECT    9    8   10   10   48                                       
CONECT   10    9    9   11   32                                       
CONECT   11   10   12   28                                            
CONECT   12   11   13   49   50                                       
CONECT   13   12   18   18   14                                       
CONECT   14   13   15   15   51                                       
CONECT   15   14   14   16   52                                       
CONECT   16   15   17   17   19                                       
CONECT   17   16   16   18   53                                       
CONECT   18   13   13   17   54                                       
CONECT   19   16   24   24   20                                       
CONECT   20   19   21   21   55                                       
CONECT   21   20   20   22   56                                       
CONECT   22   21   23   23   57                                       
CONECT   23   22   22   24   58                                       
CONECT   24   19   19   23   25                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   59                                                 
CONECT   28   11   29   30   30                                       
CONECT   29   28   60   61   62                                       
CONECT   30   28   28   31   32                                       
CONECT   31   30   63   64   65                                       
CONECT   32   10   30   33   33                                       
CONECT   33    7   32   32   66                                       
CONECT   34    3   39   39   35                                       
CONECT   35   34   36   36   67                                       
CONECT   36   35   35   37   68                                       
CONECT   37   36   38   38   69                                       
CONECT   38   37   37   39   70                                       
CONECT   39   34   34   38   71                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   27                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   33                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   38                                                      
CONECT   71   39                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
