COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.142   0.104  -0.144  1.00  0.00           N  
HETATM    2  C   UNL     1       1.099   0.699  -0.109  1.00  0.00           C  
HETATM    3  C   UNL     1       0.871   2.083   0.037  1.00  0.00           C  
HETATM    4  C   UNL     1       1.969   2.942   0.097  1.00  0.00           C  
HETATM    5  C   UNL     1       3.441   1.165  -0.108  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.415  -1.328  -0.285  1.00  0.00           C  
HETATM    7  C   UNL     1       2.831  -3.026  -1.197  1.00  0.00           C  
HETATM    8  C   UNL     1       2.479  -3.275   1.158  1.00  0.00           C  
HETATM    9  C   UNL     1       6.886   0.788  -1.391  1.00  0.00           C  
HETATM   10  C   UNL     1       5.462   1.345  -1.312  1.00  0.00           C  
HETATM   11  C   UNL     1       4.737   0.294   2.232  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.355   1.988   0.009  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.074   1.103  -0.017  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.472   2.263   0.083  1.00  0.00           N  
HETATM   15  N   UNL     1       3.193   2.463   0.024  1.00  0.00           N  
HETATM   16  C   UNL     1       2.408   0.243  -0.183  1.00  0.00           C  
HETATM   17  C   UNL     1       0.874  -2.099  -0.174  1.00  0.00           C  
HETATM   18  C   UNL     1       1.645  -2.324  -1.300  1.00  0.00           C  
HETATM   19  C   UNL     1       3.247  -3.503   0.032  1.00  0.00           C  
HETATM   20  C   UNL     1       1.296  -2.567   1.057  1.00  0.00           C  
HETATM   21  N   UNL     1       4.760   0.724  -0.180  1.00  0.00           N  
HETATM   22  C   UNL     1       5.472   0.982   1.080  1.00  0.00           C  
HETATM   23  C   UNL     1       6.896   0.429   0.978  1.00  0.00           C  
HETATM   24  O   UNL     1       7.552   1.020  -0.147  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.053  -1.594  -1.650  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.325  -0.579   0.023  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.538   0.901   0.001  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.026  -0.354   0.008  1.00  0.00           N  
HETATM   29  N   UNL     1      -4.814  -1.874   0.030  1.00  0.00           N  
HETATM   30  N   UNL     1      -4.712   1.830   0.026  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.240   0.560   0.033  1.00  0.00           C  
HETATM   32  N   UNL     1      -6.551   0.691   0.047  1.00  0.00           N  
HETATM   33  N   UNL     1      -6.854   1.942   0.050  1.00  0.00           N  
HETATM   34  C   UNL     1      -5.766   2.672   0.037  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.703   4.177   0.035  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.885  -3.007   0.060  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.481  -3.298   1.507  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.567  -4.241  -0.537  1.00  0.00           C  
HETATM   39  H   UNL     1       1.814   4.005   0.204  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.098  -1.646   0.503  1.00  0.00           H  
HETATM   41  H   UNL     1       3.431  -3.205  -2.077  1.00  0.00           H  
HETATM   42  H   UNL     1       2.805  -3.648   2.118  1.00  0.00           H  
HETATM   43  H   UNL     1       6.847  -0.283  -1.588  1.00  0.00           H  
HETATM   44  H   UNL     1       7.428   1.287  -2.194  1.00  0.00           H  
HETATM   45  H   UNL     1       5.501   2.425  -1.168  1.00  0.00           H  
HETATM   46  H   UNL     1       4.932   1.120  -2.238  1.00  0.00           H  
HETATM   47  H   UNL     1       4.733  -0.784   2.068  1.00  0.00           H  
HETATM   48  H   UNL     1       5.245   0.516   3.171  1.00  0.00           H  
HETATM   49  H   UNL     1       3.711   0.658   2.279  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.930   2.980   0.008  1.00  0.00           H  
HETATM   51  H   UNL     1       2.618  -0.811  -0.290  1.00  0.00           H  
HETATM   52  H   UNL     1       1.319  -1.951  -2.260  1.00  0.00           H  
HETATM   53  H   UNL     1       4.172  -4.056   0.112  1.00  0.00           H  
HETATM   54  H   UNL     1       0.701  -2.380   1.938  1.00  0.00           H  
HETATM   55  H   UNL     1       5.510   2.056   1.263  1.00  0.00           H  
HETATM   56  H   UNL     1       7.445   0.668   1.888  1.00  0.00           H  
HETATM   57  H   UNL     1       6.857  -0.653   0.849  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.398  -1.218  -2.436  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.198  -2.666  -1.781  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.016  -1.087  -1.707  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.771  -2.032   0.016  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.699   4.540  -0.993  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.571   4.578   0.558  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.793   4.504   0.539  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.997  -2.765  -0.524  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.356  -3.621   2.070  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.728  -4.086   1.522  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.072  -2.394   1.958  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.855  -4.034  -1.567  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.876  -5.084  -0.515  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.455  -4.483   0.047  1.00  0.00           H  
CONECT    1    2   13    6                                            
CONECT    2    3    3   16    1                                       
CONECT    3    4   14    2    2                                       
CONECT    4   15   15    3   39                                       
CONECT    5   15   21   16   16                                       
CONECT    6    1   25   17   40                                       
CONECT    7   18   19   19   41                                       
CONECT    8   20   20   19   42                                       
CONECT    9   24   10   43   44                                       
CONECT   10   21    9   45   46                                       
CONECT   11   22   47   48   49                                       
CONECT   12   27   27   30   50                                       
CONECT   13   14   14    1   27                                       
CONECT   14    3   13   13                                            
CONECT   15    4    4    5                                            
CONECT   16    5    5    2   51                                       
CONECT   17    6   18   18   20                                       
CONECT   18   17   17    7   52                                       
CONECT   19    7    7    8   53                                       
CONECT   20   17    8    8   54                                       
CONECT   21   22    5   10                                            
CONECT   22   23   11   21   55                                       
CONECT   23   22   24   56   57                                       
CONECT   24   23    9                                                 
CONECT   25    6   58   59   60                                       
CONECT   26   28   28   31   29                                       
CONECT   27   13   12   12   28                                       
CONECT   28   27   26   26                                            
CONECT   29   26   36   61                                            
CONECT   30   12   34   31                                            
CONECT   31   30   32   32   26                                       
CONECT   32   33   31   31                                            
CONECT   33   34   34   32                                            
CONECT   34   35   30   33   33                                       
CONECT   35   34   62   63   64                                       
CONECT   36   29   37   38   65                                       
CONECT   37   36   66   67   68                                       
CONECT   38   36   69   70   71                                       
CONECT   39    4                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   16                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   29                                                      
CONECT   62   35                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
CONECT   70   38                                                      
CONECT   71   38                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
