COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.821   2.758  -0.135  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.085   1.568   0.789  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.792   2.374  -1.167  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.033   1.931  -2.397  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.403   1.729  -2.992  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.766   1.668  -3.088  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.666   1.255  -4.227  1.00  0.00           O  
HETATM    8  N   UNL     1      -2.731   1.953  -2.275  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.291   2.426  -1.002  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.853   1.504   0.138  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.375   1.669   0.378  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.799   2.679   1.086  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.525   3.815   1.760  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.414   0.837  -0.070  1.00  0.00           N  
HETATM   15  C   UNL     1       0.814   1.314   0.348  1.00  0.00           C  
HETATM   16  C   UNL     1       0.577   2.480   1.080  1.00  0.00           C  
HETATM   17  C   UNL     1       1.614   3.352   1.740  1.00  0.00           C  
HETATM   18  C   UNL     1       1.857   2.864   3.169  1.00  0.00           C  
HETATM   19  C   UNL     1       2.894   3.736   3.829  1.00  0.00           C  
HETATM   20  O   UNL     1       3.268   3.493   5.095  1.00  0.00           O  
HETATM   21  O   UNL     1       3.388   4.654   3.218  1.00  0.00           O  
HETATM   22  C   UNL     1       2.060   0.737   0.090  1.00  0.00           C  
HETATM   23  C   UNL     1       2.139  -0.596  -0.347  1.00  0.00           C  
HETATM   24  C   UNL     1       3.281  -1.219  -0.907  1.00  0.00           C  
HETATM   25  C   UNL     1       4.626  -0.584  -1.145  1.00  0.00           C  
HETATM   26  C   UNL     1       4.616   0.144  -2.491  1.00  0.00           C  
HETATM   27  C   UNL     1       5.961   0.779  -2.729  1.00  0.00           C  
HETATM   28  O   UNL     1       6.839   0.663  -1.906  1.00  0.00           O  
HETATM   29  O   UNL     1       6.185   1.475  -3.855  1.00  0.00           O  
HETATM   30  N   UNL     1       1.149  -1.497  -0.299  1.00  0.00           N  
HETATM   31  C   UNL     1       1.578  -2.654  -0.795  1.00  0.00           C  
HETATM   32  C   UNL     1       2.929  -2.501  -1.188  1.00  0.00           C  
HETATM   33  C   UNL     1       3.810  -3.560  -1.799  1.00  0.00           C  
HETATM   34  C   UNL     1       0.788  -3.877  -0.911  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.049  -4.256   0.114  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.981  -3.428   0.780  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.240  -1.970   0.499  1.00  0.00           C  
HETATM   38  N   UNL     1      -0.137  -5.525   0.678  1.00  0.00           N  
HETATM   39  C   UNL     1      -1.069  -5.492   1.650  1.00  0.00           C  
HETATM   40  O   UNL     1      -1.400  -6.434   2.350  1.00  0.00           O  
HETATM   41  C   UNL     1      -1.601  -4.188   1.720  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.673  -3.720   2.671  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.049  -4.015   2.072  1.00  0.00           C  
HETATM   44  H   UNL     1      -5.159   1.283   1.288  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.829   1.846   1.536  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.969   3.448  -0.805  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.109   1.475  -2.201  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.723   2.646  -3.486  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.366   0.918  -3.720  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.790   1.865  -2.492  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.400   1.764   1.045  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.065   0.469  -0.130  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.559   0.036  -0.597  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.778   3.530   2.781  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.885   4.697   1.777  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.439   4.039   1.209  1.00  0.00           H  
HETATM   57  H   UNL     1       2.962   1.315   0.225  1.00  0.00           H  
HETATM   58  H   UNL     1       2.545   3.300   1.175  1.00  0.00           H  
HETATM   59  H   UNL     1       1.260   4.383   1.763  1.00  0.00           H  
HETATM   60  H   UNL     1       0.926   2.915   3.734  1.00  0.00           H  
HETATM   61  H   UNL     1       2.211   1.833   3.146  1.00  0.00           H  
HETATM   62  H   UNL     1       3.936   4.079   5.475  1.00  0.00           H  
HETATM   63  H   UNL     1       4.837   0.130  -0.348  1.00  0.00           H  
HETATM   64  H   UNL     1       5.396  -1.355  -1.155  1.00  0.00           H  
HETATM   65  H   UNL     1       4.405  -0.570  -3.288  1.00  0.00           H  
HETATM   66  H   UNL     1       3.846   0.915  -2.481  1.00  0.00           H  
HETATM   67  H   UNL     1       7.064   1.865  -3.963  1.00  0.00           H  
HETATM   68  H   UNL     1       0.861  -4.485  -1.801  1.00  0.00           H  
HETATM   69  H   UNL     1       3.199  -4.253  -2.377  1.00  0.00           H  
HETATM   70  H   UNL     1       4.544  -3.089  -2.454  1.00  0.00           H  
HETATM   71  H   UNL     1       4.326  -4.104  -1.008  1.00  0.00           H  
HETATM   72  H   UNL     1       0.384  -6.300   0.417  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.619  -1.645  -0.336  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.291  -1.830   0.246  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.997  -1.381   1.383  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.570  -4.244   3.621  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.570  -2.647   2.834  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.187  -5.093   1.990  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.823  -3.598   2.717  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.120  -3.563   1.082  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.747   3.043  -0.634  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.455   0.728   0.203  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.450   3.599   0.451  1.00  0.00           H  
CONECT    1    2    3   81   83                                       
CONECT    2    1   82   44   45                                       
CONECT    3    1    9    4    4                                       
CONECT    4    3    3    5    6                                       
CONECT    5    4   48   49   47                                       
CONECT    6    4    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   50                                            
CONECT    9    3    8   10   46                                       
CONECT   10    9   11   52   51                                       
CONECT   11   10   12   12   14                                       
CONECT   12   11   11   13   16                                       
CONECT   13   12   54   55   56                                       
CONECT   14   11   15   53                                            
CONECT   15   14   16   16   22                                       
CONECT   16   12   15   15   17                                       
CONECT   17   16   18   58   59                                       
CONECT   18   17   19   61   60                                       
CONECT   19   18   20   21   21                                       
CONECT   20   19   62                                                 
CONECT   21   19   19                                                 
CONECT   22   15   23   23   57                                       
CONECT   23   22   22   24   30                                       
CONECT   24   23   25   32   32                                       
CONECT   25   24   63   64   26                                       
CONECT   26   25   65   66   27                                       
CONECT   27   26   29   28   28                                       
CONECT   28   27   27                                                 
CONECT   29   27   67                                                 
CONECT   30   23   31   31                                            
CONECT   31   30   30   32   34                                       
CONECT   32   24   24   31   33                                       
CONECT   33   32   71   69   70                                       
CONECT   34   31   68   35   35                                       
CONECT   35   34   34   36   38                                       
CONECT   36   35   37   41   41                                       
CONECT   37   36   73   74   75                                       
CONECT   38   35   72   39                                            
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   36   36   39   42                                       
CONECT   42   41   76   77   43                                       
CONECT   43   42   78   79   80                                       
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    9                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   14                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   22                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   20                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   29                                                      
CONECT   68   34                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   33                                                      
CONECT   72   38                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
CONECT   76   42                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
CONECT   80   43                                                      
CONECT   81    1                                                      
CONECT   82    2                                                      
CONECT   83    1                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
