COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.154  -4.406  -0.223  1.00  0.00           C  
HETATM    2  C   UNL     1       3.298  -2.430   1.462  1.00  0.00           C  
HETATM    3  C   UNL     1       4.276  -1.243   1.433  1.00  0.00           C  
HETATM    4  C   UNL     1       3.813  -0.264   2.532  1.00  0.00           C  
HETATM    5  C   UNL     1       3.016  -1.151   3.520  1.00  0.00           C  
HETATM    6  C   UNL     1       2.275  -2.131   2.578  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.990   0.767   0.015  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.102   0.714   0.520  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.617   3.210   0.112  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.011   4.248  -0.721  1.00  0.00           C  
HETATM   11  C   UNL     1       1.326   4.463   0.751  1.00  0.00           C  
HETATM   12  C   UNL     1       0.554   3.322   0.851  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.284   4.134  -1.519  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.450   0.179   0.806  1.00  0.00           C  
HETATM   15  C   UNL     1       1.194   1.170  -1.108  1.00  0.00           C  
HETATM   16  C   UNL     1       0.377   0.335  -0.345  1.00  0.00           C  
HETATM   17  C   UNL     1       0.851  -0.907   0.079  1.00  0.00           C  
HETATM   18  C   UNL     1       2.131  -1.309  -0.259  1.00  0.00           C  
HETATM   19  C   UNL     1       2.942  -0.468  -1.025  1.00  0.00           C  
HETATM   20  C   UNL     1       2.470   0.767  -1.444  1.00  0.00           C  
HETATM   21  N   UNL     1       2.612  -2.549   0.169  1.00  0.00           N  
HETATM   22  C   UNL     1       3.482  -3.174  -0.832  1.00  0.00           C  
HETATM   23  C   UNL     1       4.539  -2.197  -1.278  1.00  0.00           C  
HETATM   24  N   UNL     1       4.236  -0.884  -1.367  1.00  0.00           N  
HETATM   25  C   UNL     1       5.239   0.086  -1.814  1.00  0.00           C  
HETATM   26  O   UNL     1       5.654  -2.587  -1.555  1.00  0.00           O  
HETATM   27  N   UNL     1      -2.025  -0.020   0.208  1.00  0.00           N  
HETATM   28  N   UNL     1      -2.766   1.987   0.533  1.00  0.00           N  
HETATM   29  N   UNL     1      -1.401   2.054   0.212  1.00  0.00           N  
HETATM   30  C   UNL     1      -0.235   5.387  -0.817  1.00  0.00           C  
HETATM   31  C   UNL     1       0.933   5.494  -0.085  1.00  0.00           C  
HETATM   32  C   UNL     1       1.777   6.737  -0.192  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.325   0.920   1.210  1.00  0.00           O  
HETATM   34  N   UNL     1      -4.710  -1.130   0.618  1.00  0.00           N  
HETATM   35  C   UNL     1      -6.066  -1.666   0.813  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.454  -2.473  -0.430  1.00  0.00           C  
HETATM   37  N   UNL     1      -5.419  -3.482  -0.698  1.00  0.00           N  
HETATM   38  C   UNL     1      -4.129  -2.852  -1.006  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.647  -2.060   0.208  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.834  -4.388  -1.777  1.00  0.00           C  
HETATM   41  H   UNL     1       3.393  -5.064   0.197  1.00  0.00           H  
HETATM   42  H   UNL     1       4.708  -4.938  -0.997  1.00  0.00           H  
HETATM   43  H   UNL     1       4.839  -4.094   0.565  1.00  0.00           H  
HETATM   44  H   UNL     1       3.836  -3.352   1.686  1.00  0.00           H  
HETATM   45  H   UNL     1       5.288  -1.588   1.643  1.00  0.00           H  
HETATM   46  H   UNL     1       4.242  -0.755   0.459  1.00  0.00           H  
HETATM   47  H   UNL     1       4.673   0.185   3.030  1.00  0.00           H  
HETATM   48  H   UNL     1       3.173   0.510   2.108  1.00  0.00           H  
HETATM   49  H   UNL     1       3.691  -1.690   4.186  1.00  0.00           H  
HETATM   50  H   UNL     1       2.306  -0.552   4.090  1.00  0.00           H  
HETATM   51  H   UNL     1       1.384  -1.661   2.162  1.00  0.00           H  
HETATM   52  H   UNL     1       2.012  -3.046   3.109  1.00  0.00           H  
HETATM   53  H   UNL     1       2.236   4.551   1.325  1.00  0.00           H  
HETATM   54  H   UNL     1       0.861   2.518   1.503  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.100   4.606  -0.971  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.156   4.630  -2.480  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.517   3.081  -1.682  1.00  0.00           H  
HETATM   58  H   UNL     1       0.827   2.130  -1.439  1.00  0.00           H  
HETATM   59  H   UNL     1       0.219  -1.554   0.670  1.00  0.00           H  
HETATM   60  H   UNL     1       3.101   1.411  -2.039  1.00  0.00           H  
HETATM   61  H   UNL     1       2.885  -3.478  -1.692  1.00  0.00           H  
HETATM   62  H   UNL     1       5.789   0.463  -0.952  1.00  0.00           H  
HETATM   63  H   UNL     1       5.931  -0.398  -2.503  1.00  0.00           H  
HETATM   64  H   UNL     1       4.743   0.915  -2.319  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.541   6.195  -1.464  1.00  0.00           H  
HETATM   66  H   UNL     1       1.456   7.460   0.558  1.00  0.00           H  
HETATM   67  H   UNL     1       2.824   6.482  -0.026  1.00  0.00           H  
HETATM   68  H   UNL     1       1.662   7.170  -1.186  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.081  -2.314   1.690  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.768  -0.845   0.954  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.409  -2.969  -0.259  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.539  -1.804  -1.286  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.398  -3.622  -1.253  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.246  -2.177  -1.854  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.751  -1.497  -0.056  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.425  -2.746   1.025  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.007  -3.814  -2.687  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.051  -5.124  -1.955  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.754  -4.898  -1.490  1.00  0.00           H  
CONECT    1   22   41   42   43                                       
CONECT    2    6    3   21   44                                       
CONECT    3    4    2   45   46                                       
CONECT    4    5    3   47   48                                       
CONECT    5    6    4   49   50                                       
CONECT    6    5    2   51   52                                       
CONECT    7   29   16   27   27                                       
CONECT    8   28   28   27   14                                       
CONECT    9   10   10   12   29                                       
CONECT   10   30   13    9    9                                       
CONECT   11   31   12   12   53                                       
CONECT   12   11   11    9   54                                       
CONECT   13   10   55   56   57                                       
CONECT   14    8   33   33   34                                       
CONECT   15   16   16   20   58                                       
CONECT   16   17    7   15   15                                       
CONECT   17   18   18   16   59                                       
CONECT   18   21   17   17   19                                       
CONECT   19   18   24   20   20                                       
CONECT   20   19   19   15   60                                       
CONECT   21    2   18   22                                            
CONECT   22   21   23    1   61                                       
CONECT   23   22   26   26   24                                       
CONECT   24   23   19   25                                            
CONECT   25   24   62   63   64                                       
CONECT   26   23   23                                                 
CONECT   27    7    7    8                                            
CONECT   28   29    8    8                                            
CONECT   29    9   28    7                                            
CONECT   30   31   31   10   65                                       
CONECT   31   32   30   30   11                                       
CONECT   32   31   66   67   68                                       
CONECT   33   14   14                                                 
CONECT   34   14   35   39                                            
CONECT   35   36   34   69   70                                       
CONECT   36   35   37   71   72                                       
CONECT   37   36   40   38                                            
CONECT   38   37   39   73   74                                       
CONECT   39   34   38   75   76                                       
CONECT   40   37   77   78   79                                       
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   20                                                      
CONECT   61   22                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   30                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
CONECT   78   40                                                      
CONECT   79   40                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
