COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.762   1.196   0.032  1.00  0.00           C  
HETATM    2  C   UNL     1       1.024   2.503  -0.101  1.00  0.00           C  
HETATM    3  C   UNL     1       1.033   4.852  -0.564  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.024   3.758  -0.010  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.393   1.378   0.427  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.148   0.177   0.935  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.323   1.258   0.741  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.100  -1.350  -0.715  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.075  -2.558  -0.299  1.00  0.00           C  
HETATM   10  C   UNL     1       0.301  -2.381  -1.618  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.525  -1.692  -2.486  1.00  0.00           C  
HETATM   12  CA  UNL     1       2.877  -0.650  -1.231  1.00  0.00           C  
HETATM   13  N   UNL     1       4.182  -0.307  -0.650  1.00  0.00           N  
HETATM   14  O   UNL     1      -2.998   2.336  -0.005  1.00  0.00           O  
HETATM   15  C   UNL     1       2.027   0.616  -1.359  1.00  0.00           C  
HETATM   16  C   UNL     1       1.709   3.652  -0.443  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.332   4.905  -0.345  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.347   2.551   0.113  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.045   1.387   0.453  1.00  0.00           N  
HETATM   20  N   UNL     1      -4.424   0.609   1.508  1.00  0.00           N  
HETATM   21  O   UNL     1      -6.496   1.655   1.268  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.074   1.484  -0.427  1.00  0.00           O  
HETATM   23  C   UNL     1      -7.415   2.348   0.383  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.409  -0.788  -0.223  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.276  -2.043   0.152  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.726  -1.177  -2.035  1.00  0.00           C  
HETATM   27  C   UNL     1       4.779  -1.466   0.027  1.00  0.00           C  
HETATM   28  C   UNL     1       6.113  -1.077   0.608  1.00  0.00           C  
HETATM   29  C   UNL     1       7.262  -1.213  -0.150  1.00  0.00           C  
HETATM   30  C   UNL     1       8.487  -0.857   0.380  1.00  0.00           C  
HETATM   31  C   UNL     1       8.564  -0.362   1.676  1.00  0.00           C  
HETATM   32  C   UNL     1       7.408  -0.226   2.434  1.00  0.00           C  
HETATM   33  C   UNL     1       6.186  -0.579   1.896  1.00  0.00           C  
HETATM   34  C   UNL     1       3.082  -1.270  -2.615  1.00  0.00           C  
HETATM   35  O   UNL     1       3.674  -0.304  -3.486  1.00  0.00           O  
HETATM   36  C   UNL     1      -4.293  -1.914   0.250  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.411  -2.269  -0.481  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.221  -3.301  -0.046  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.913  -3.978   1.119  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.795  -3.623   1.850  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.981  -2.595   1.412  1.00  0.00           C  
HETATM   42  N   UNL     1       9.801  -0.001   2.215  1.00  0.00           N  
HETATM   43  H   UNL     1       2.711   1.365   0.542  1.00  0.00           H  
HETATM   44  H   UNL     1       1.159   0.495   0.609  1.00  0.00           H  
HETATM   45  H   UNL     1       1.571   5.750  -0.830  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.089   3.800   0.161  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.557  -0.327   1.700  1.00  0.00           H  
HETATM   48  H   UNL     1       0.569  -3.099   0.378  1.00  0.00           H  
HETATM   49  H   UNL     1       1.239  -2.783  -1.970  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.233  -1.558  -3.517  1.00  0.00           H  
HETATM   51  HA  UNL     1       2.368  -1.365  -0.584  1.00  0.00           H  
HETATM   52  H   UNL     1       4.103   0.478  -0.021  1.00  0.00           H  
HETATM   53  H   UNL     1       1.079   0.370  -1.837  1.00  0.00           H  
HETATM   54  H   UNL     1       2.559   1.351  -1.964  1.00  0.00           H  
HETATM   55  H   UNL     1       2.775   3.615  -0.614  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.857   5.844  -0.437  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.559   0.587   0.707  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.623   0.428   2.440  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.675   1.698  -0.452  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.319   2.612   0.932  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.942   3.254   0.005  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.904  -0.255  -1.036  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.570  -2.181   1.182  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.372  -0.640  -2.713  1.00  0.00           H  
HETATM   65  H   UNL     1       4.117  -1.800   0.826  1.00  0.00           H  
HETATM   66  H   UNL     1       4.917  -2.274  -0.692  1.00  0.00           H  
HETATM   67  H   UNL     1       7.201  -1.598  -1.157  1.00  0.00           H  
HETATM   68  H   UNL     1       9.384  -0.963  -0.212  1.00  0.00           H  
HETATM   69  H   UNL     1       7.464   0.158   3.442  1.00  0.00           H  
HETATM   70  H   UNL     1       5.286  -0.470   2.484  1.00  0.00           H  
HETATM   71  H1  UNL     1       3.738  -2.135  -2.531  1.00  0.00           H  
HETATM   72  H2  UNL     1       2.118  -1.582  -3.019  1.00  0.00           H  
HETATM   73  H   UNL     1       3.833  -0.629  -4.383  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.652  -1.740  -1.391  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.095  -3.579  -0.617  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.547  -4.784   1.459  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.554  -4.151   2.760  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.107  -2.317   1.983  1.00  0.00           H  
HETATM   79  H   UNL     1      10.607  -0.096   1.685  1.00  0.00           H  
HETATM   80  H   UNL     1       9.853   0.345   3.120  1.00  0.00           H  
CONECT    1   15    2   43   44                                       
CONECT    2    1   18   18   16                                       
CONECT    3   16   16   17   45                                       
CONECT    4   18   17   17   46                                       
CONECT    5    6   19   14   14                                       
CONECT    6   24   20    5   47                                       
CONECT    7   21   22   22   20                                       
CONECT    8   26   24   25   25                                       
CONECT    9   10   10   25   48                                       
CONECT   10   11    9    9   49                                       
CONECT   11   26   26   10   50                                       
CONECT   12   13   34   15   51                                       
CONECT   13   27   12   52                                            
CONECT   14    5    5                                                 
CONECT   15   12    1   53   54                                       
CONECT   16    2    3    3   55                                       
CONECT   17    4    4    3   56                                       
CONECT   18   19    2    2    4                                       
CONECT   19    5   18   57                                            
CONECT   20    7    6   58                                            
CONECT   21   23    7                                                 
CONECT   22    7    7                                                 
CONECT   23   21   59   60   61                                       
CONECT   24   36    8    6   62                                       
CONECT   25    8    8    9   63                                       
CONECT   26   11   11    8   64                                       
CONECT   27   28   13   65   66                                       
CONECT   28   29   27   33   33                                       
CONECT   29   30   30   28   67                                       
CONECT   30   29   29   31   68                                       
CONECT   31   30   42   32   32                                       
CONECT   32   31   31   33   69                                       
CONECT   33   28   28   32   70                                       
CONECT   34   12   35   71   72                                       
CONECT   35   34   73                                                 
CONECT   36   37   37   41   24                                       
CONECT   37   38   36   36   74                                       
CONECT   38   39   39   37   75                                       
CONECT   39   38   38   40   76                                       
CONECT   40   39   41   41   77                                       
CONECT   41   40   40   36   78                                       
CONECT   42   31   79   80                                            
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    6                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
CONECT   78   41                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
