COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.508  -0.966   2.214  1.00  0.00           N  
HETATM    2  C   UNL     1       1.180  -1.399   3.443  1.00  0.00           C  
HETATM    3  C   UNL     1       2.079  -0.884   4.393  1.00  0.00           C  
HETATM    4  C   UNL     1       3.006  -0.104   3.725  1.00  0.00           C  
HETATM    5  C   UNL     1       2.630  -0.154   2.301  1.00  0.00           C  
HETATM    6  C   UNL     1       2.044  -1.140   5.877  1.00  0.00           C  
HETATM    7  C   UNL     1       4.915   0.042   5.218  1.00  0.00           C  
HETATM    8  O   UNL     1       0.239  -2.132   3.697  1.00  0.00           O  
HETATM    9  C   UNL     1       3.264   0.472   1.269  1.00  0.00           C  
HETATM   10  C   UNL     1       4.135   0.632   4.317  1.00  0.00           C  
HETATM   11  N   UNL     1       1.381   0.188  -0.316  1.00  0.00           N  
HETATM   12  C   UNL     1       2.689   0.465  -0.022  1.00  0.00           C  
HETATM   13  C   UNL     1       3.356   0.739  -1.214  1.00  0.00           C  
HETATM   14  C   UNL     1       2.442   0.621  -2.246  1.00  0.00           C  
HETATM   15  C   UNL     1       1.211   0.282  -1.681  1.00  0.00           C  
HETATM   16  C   UNL     1       0.015   0.070  -2.379  1.00  0.00           C  
HETATM   17  C   UNL     1       4.814   1.094  -1.355  1.00  0.00           C  
HETATM   18  C   UNL     1       2.723   0.829  -3.712  1.00  0.00           C  
HETATM   19  C   UNL     1       3.150  -0.497  -4.343  1.00  0.00           C  
HETATM   20  C   UNL     1       3.431  -0.289  -5.809  1.00  0.00           C  
HETATM   21  O   UNL     1       3.302   0.807  -6.298  1.00  0.00           O  
HETATM   22  O   UNL     1       3.824  -1.322  -6.570  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.046  -0.912   1.348  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.284  -0.348  -0.346  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.143  -0.296  -1.686  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.374  -0.678  -2.265  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.218  -0.955  -1.227  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.504  -0.732  -0.046  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.652  -1.406  -1.335  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.692  -0.769  -3.736  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.230   0.577  -4.225  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.547   0.486  -5.695  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.361  -0.547  -6.291  1.00  0.00           O  
HETATM   34  O   UNL     1      -4.036   1.556  -6.343  1.00  0.00           O  
HETATM   35  N   UNL     1      -1.658   0.952   2.148  1.00  0.00           N  
HETATM   36  C   UNL     1      -1.996  -0.459   2.365  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.565  -0.543   3.762  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.535   0.699   4.270  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.973   1.624   3.270  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.065  -1.785   4.454  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.993   1.080   5.623  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.915   2.343   6.018  1.00  0.00           C  
HETATM   43  O   UNL     1      -1.816   2.819   3.435  1.00  0.00           O  
HETATM   44  H   UNL     1       1.037  -1.187   1.395  1.00  0.00           H  
HETATM   45  H   UNL     1       1.205  -1.795   6.113  1.00  0.00           H  
HETATM   46  H   UNL     1       2.974  -1.616   6.186  1.00  0.00           H  
HETATM   47  H   UNL     1       1.926  -0.195   6.407  1.00  0.00           H  
HETATM   48  H   UNL     1       5.690   0.608   5.715  1.00  0.00           H  
HETATM   49  H   UNL     1       4.774  -1.002   5.454  1.00  0.00           H  
HETATM   50  H   UNL     1       4.205   0.974   1.438  1.00  0.00           H  
HETATM   51  H   UNL     1       4.329   1.652   4.019  1.00  0.00           H  
HETATM   52  H   UNL     1       0.691  -0.037   0.326  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.011   0.190  -3.452  1.00  0.00           H  
HETATM   54  H   UNL     1       5.399   0.184  -1.486  1.00  0.00           H  
HETATM   55  H   UNL     1       4.948   1.741  -2.222  1.00  0.00           H  
HETATM   56  H   UNL     1       5.149   1.615  -0.457  1.00  0.00           H  
HETATM   57  H   UNL     1       1.822   1.192  -4.206  1.00  0.00           H  
HETATM   58  H   UNL     1       3.522   1.561  -3.828  1.00  0.00           H  
HETATM   59  H   UNL     1       4.051  -0.860  -3.848  1.00  0.00           H  
HETATM   60  H   UNL     1       2.351  -1.229  -4.226  1.00  0.00           H  
HETATM   61  H   UNL     1       4.004  -1.188  -7.511  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.283  -1.962   1.513  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.948  -0.312   1.467  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.065  -1.546  -0.336  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.232  -0.650  -1.866  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.696  -2.348  -1.882  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.786  -1.020  -4.288  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.443  -1.541  -3.899  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.136   0.828  -3.672  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.479   1.349  -4.062  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.239   1.498  -7.287  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.273   1.331   1.342  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.101  -1.077   2.279  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.410  -1.528   5.456  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.890  -2.212   3.884  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.257  -2.513   4.524  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.392   0.329   6.289  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.250   2.621   7.007  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.516   3.094   5.352  1.00  0.00           H  
CONECT    1    2    5   44                                            
CONECT    2    1    3    8    8                                       
CONECT    3    2    4    4    6                                       
CONECT    4    3    3    5   10                                       
CONECT    5    1    4    9    9                                       
CONECT    6    3   45   46   47                                       
CONECT    7   10   10   48   49                                       
CONECT    8    2    2                                                 
CONECT    9    5    5   12   50                                       
CONECT   10    4    7    7   51                                       
CONECT   11   12   15   52                                            
CONECT   12    9   11   13   13                                       
CONECT   13   12   12   14   17                                       
CONECT   14   13   15   15   18                                       
CONECT   15   11   14   14   16                                       
CONECT   16   15   25   25   53                                       
CONECT   17   13   54   55   56                                       
CONECT   18   14   19   57   58                                       
CONECT   19   18   20   59   60                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   61                                                 
CONECT   23   28   36   62   63                                       
CONECT   24   25   28   28                                            
CONECT   25   16   16   24   26                                       
CONECT   26   25   27   27   30                                       
CONECT   27   26   26   28   29                                       
CONECT   28   23   24   24   27                                       
CONECT   29   27   64   65   66                                       
CONECT   30   26   31   67   68                                       
CONECT   31   30   32   69   70                                       
CONECT   32   31   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   71                                                 
CONECT   35   36   39   72                                            
CONECT   36   23   35   37   73                                       
CONECT   37   36   38   38   40                                       
CONECT   38   37   37   39   41                                       
CONECT   39   35   38   43   43                                       
CONECT   40   37   74   75   76                                       
CONECT   41   38   42   42   77                                       
CONECT   42   41   41   78   79                                       
CONECT   43   39   39                                                 
CONECT   44    1                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   40                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   42                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
