COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.817   0.261   0.100  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.713   0.731   1.216  1.00  0.00           O  
HETATM    3  O   UNL     1      -3.872   0.585  -0.671  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.846   1.501  -0.105  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.946   1.745  -1.105  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.063   0.930  -1.117  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.072   1.153  -2.034  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.965   2.191  -2.941  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.848   3.006  -2.929  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.842   2.787  -2.007  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.876  -0.585  -0.365  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.728  -0.937   0.475  1.00  0.00           C  
HETATM   13  C   UNL     1       0.428  -1.347  -0.401  1.00  0.00           C  
HETATM   14  O   UNL     1       0.305  -1.345  -1.608  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.107  -2.099   1.395  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.180  -1.650   2.354  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.513  -1.788   2.014  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.831  -1.096   3.572  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.497  -1.380   2.896  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.815  -0.684   4.451  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.148  -0.827   4.113  1.00  0.00           C  
HETATM   22  N   UNL     1       1.598  -1.716   0.156  1.00  0.00           N  
HETATM   23  C   UNL     1       4.222  -0.407   0.295  1.00  0.00           C  
HETATM   24  O   UNL     1       4.724   3.635   0.951  1.00  0.00           O  
HETATM   25  C   UNL     1       4.555   2.304   0.734  1.00  0.00           C  
HETATM   26  C   UNL     1       4.036  -1.883   0.053  1.00  0.00           C  
HETATM   27  C   UNL     1       6.739   3.930  -0.349  1.00  0.00           C  
HETATM   28  C   UNL     1       5.305   5.880   0.271  1.00  0.00           C  
HETATM   29  C   UNL     1       4.482   4.201  -1.385  1.00  0.00           C  
HETATM   30  C   UNL     1       5.302   4.398  -0.109  1.00  0.00           C  
HETATM   31  C   UNL     1       2.594  -3.575  -1.045  1.00  0.00           C  
HETATM   32  C   UNL     1       2.721  -2.115  -0.695  1.00  0.00           C  
HETATM   33  C   UNL     1       4.881   0.368  -0.642  1.00  0.00           C  
HETATM   34  C   UNL     1       3.730   0.171   1.451  1.00  0.00           C  
HETATM   35  C   UNL     1       5.048   1.722  -0.425  1.00  0.00           C  
HETATM   36  C   UNL     1       3.900   1.524   1.674  1.00  0.00           C  
HETATM   37  O   UNL     1       1.828  -4.285  -0.421  1.00  0.00           O  
HETATM   38  C   UNL     1       3.351  -4.110  -2.081  1.00  0.00           C  
HETATM   39  N   UNL     1       3.244  -5.322  -2.371  1.00  0.00           N1+
HETATM   40  N   UNL     1       3.149  -6.411  -2.632  1.00  0.00           N1-
HETATM   41  H   UNL     1      -5.268   1.067   0.802  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.358   2.445   0.137  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.146   0.118  -0.409  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.944   0.516  -2.044  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.753   2.366  -3.658  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.765   3.817  -3.638  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.970   3.424  -1.998  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.957  -0.957  -1.257  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.440  -0.075   1.077  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.480  -2.930   0.797  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.230  -2.419   1.956  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.785  -2.217   1.061  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.790  -0.984   3.835  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.538  -1.491   2.632  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.542  -0.252   5.402  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.916  -0.505   4.801  1.00  0.00           H  
HETATM   57  H   UNL     1       1.696  -1.718   1.121  1.00  0.00           H  
HETATM   58  H   UNL     1       4.865  -2.261  -0.544  1.00  0.00           H  
HETATM   59  H   UNL     1       4.007  -2.407   1.009  1.00  0.00           H  
HETATM   60  H   UNL     1       6.746   2.855  -0.530  1.00  0.00           H  
HETATM   61  H   UNL     1       7.149   4.447  -1.217  1.00  0.00           H  
HETATM   62  H   UNL     1       7.346   4.155   0.528  1.00  0.00           H  
HETATM   63  H   UNL     1       5.890   6.020   1.181  1.00  0.00           H  
HETATM   64  H   UNL     1       5.747   6.462  -0.538  1.00  0.00           H  
HETATM   65  H   UNL     1       4.282   6.213   0.442  1.00  0.00           H  
HETATM   66  H   UNL     1       3.485   4.618  -1.245  1.00  0.00           H  
HETATM   67  H   UNL     1       4.974   4.708  -2.216  1.00  0.00           H  
HETATM   68  H   UNL     1       4.403   3.136  -1.606  1.00  0.00           H  
HETATM   69  H   UNL     1       2.714  -1.520  -1.609  1.00  0.00           H  
HETATM   70  H   UNL     1       5.265  -0.086  -1.544  1.00  0.00           H  
HETATM   71  H   UNL     1       3.213  -0.436   2.179  1.00  0.00           H  
HETATM   72  H   UNL     1       5.562   2.327  -1.158  1.00  0.00           H  
HETATM   73  H   UNL     1       3.515   1.974   2.578  1.00  0.00           H  
HETATM   74  H   UNL     1       4.030  -3.480  -2.635  1.00  0.00           H  
CONECT    1   11    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4   41   42    3    5                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5   43    7                                       
CONECT    7    6   44    8    8                                       
CONECT    8    7    7   45    9                                       
CONECT    9    8   10   10   46                                       
CONECT   10    9    9    5   47                                       
CONECT   11    1   12   48                                            
CONECT   12   11   49   13   15                                       
CONECT   13   14   14   12   22                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   50   51                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16   19   52                                       
CONECT   18   16   20   20   53                                       
CONECT   19   54   21   21   17                                       
CONECT   20   18   18   21   55                                       
CONECT   21   20   19   19   56                                       
CONECT   22   13   57   32                                            
CONECT   23   34   34   26   33                                       
CONECT   24   30   25                                                 
CONECT   25   24   36   36   35                                       
CONECT   26   23   58   59   32                                       
CONECT   27   60   61   62   30                                       
CONECT   28   63   64   65   30                                       
CONECT   29   30   66   67   68                                       
CONECT   30   24   29   28   27                                       
CONECT   31   37   37   32   38                                       
CONECT   32   22   26   69   31                                       
CONECT   33   23   35   35   70                                       
CONECT   34   23   23   36   71                                       
CONECT   35   33   33   25   72                                       
CONECT   36   25   25   34   73                                       
CONECT   37   31   31                                                 
CONECT   38   31   39   39   74                                       
CONECT   39   38   38   40   40                                       
CONECT   40   39   39                                                 
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   38                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
