COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.494  -0.127  -1.488  1.00  0.00           C  
HETATM    2  C   UNL     1       5.769   1.011   0.138  1.00  0.00           C  
HETATM    3  C   UNL     1       7.225   0.636  -0.142  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.342   3.792   0.762  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.257   3.967   1.976  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.885   0.882  -1.633  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.080  -1.608   2.363  1.00  0.00           N  
HETATM    8  C   UNL     1      -5.028   1.850  -0.847  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.787   1.055  -0.438  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.944   2.026   0.366  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.185   2.821  -0.042  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.101   2.996   1.171  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.911   0.084  -2.703  1.00  0.00           C  
HETATM   14  C   UNL     1       0.357  -0.706  -2.370  1.00  0.00           C  
HETATM   15  C   UNL     1      10.514   1.785   1.498  1.00  0.00           C  
HETATM   16  C   UNL     1       9.598   1.023   0.538  1.00  0.00           C  
HETATM   17  C   UNL     1      11.971   1.410   1.218  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.251  -3.233   2.261  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.028  -2.049  -1.748  1.00  0.00           C  
HETATM   20  C   UNL     1       8.141   1.398   0.818  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.729   0.211  -1.511  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.098  -2.341   3.172  1.00  0.00           C  
HETATM   23  C   UNL     1       3.396   0.623  -0.542  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.203   1.347  -2.702  1.00  0.00           O  
HETATM   25  C   UNL     1       4.853   0.249  -0.822  1.00  0.00           C  
HETATM   26  C   UNL     1      12.887   2.172   2.178  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.874  -1.827  -0.618  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.265  -3.788   1.023  1.00  0.00           O  
HETATM   29  O   UNL     1      -2.200  -3.974  -0.587  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.479  -2.416   1.379  1.00  0.00           O  
HETATM   31  O   UNL     1       1.164   0.050  -1.429  1.00  0.00           O  
HETATM   32  O   UNL     1       2.967  -0.884  -2.302  1.00  0.00           O  
HETATM   33  P   UNL     1      -1.471  -3.022   0.280  1.00  0.00           P  
HETATM   34  H   UNL     1       5.517   0.748   1.165  1.00  0.00           H  
HETATM   35  H   UNL     1       5.635   2.083  -0.007  1.00  0.00           H  
HETATM   36  H   UNL     1       7.359  -0.436   0.002  1.00  0.00           H  
HETATM   37  H   UNL     1       7.477   0.898  -1.170  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.876   3.255  -0.021  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.040   4.771   0.391  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.723   4.504   2.760  1.00  0.00           H  
HETATM   41  H   UNL     1     -11.142   4.534   1.685  1.00  0.00           H  
HETATM   42  H   UNL     1     -10.559   2.988   2.348  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.650  -2.242   1.823  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.652  -1.011   2.941  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.726   2.829  -1.219  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.562   1.313  -1.631  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.089   0.075  -0.067  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.253   1.592   0.345  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.246   1.046   0.738  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.410   2.563   1.150  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.883   3.800  -0.414  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.719   2.284  -0.826  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.566   3.534   1.955  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.403   2.017   1.543  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.637   1.075  -3.064  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.473  -0.441  -3.476  1.00  0.00           H  
HETATM   57  H   UNL     1       0.928  -0.878  -3.283  1.00  0.00           H  
HETATM   58  H   UNL     1      10.381   2.857   1.353  1.00  0.00           H  
HETATM   59  H   UNL     1      10.262   1.523   2.525  1.00  0.00           H  
HETATM   60  H   UNL     1       9.850   1.286  -0.490  1.00  0.00           H  
HETATM   61  H   UNL     1       9.732  -0.049   0.682  1.00  0.00           H  
HETATM   62  H   UNL     1      12.104   0.338   1.362  1.00  0.00           H  
HETATM   63  H   UNL     1      12.223   1.673   0.190  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.583  -3.843   2.870  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.904  -3.881   1.678  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.558  -2.653  -2.485  1.00  0.00           H  
HETATM   67  H   UNL     1       0.873  -2.574  -1.430  1.00  0.00           H  
HETATM   68  H   UNL     1       8.008   2.470   0.673  1.00  0.00           H  
HETATM   69  H   UNL     1       7.890   1.135   1.845  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.451  -1.632   3.690  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.619  -2.959   3.903  1.00  0.00           H  
HETATM   72  H   UNL     1       3.262   1.696  -0.687  1.00  0.00           H  
HETATM   73  H   UNL     1       3.144   0.361   0.485  1.00  0.00           H  
HETATM   74  H   UNL     1       5.104   0.511  -1.850  1.00  0.00           H  
HETATM   75  H   UNL     1       4.986  -0.823  -0.678  1.00  0.00           H  
HETATM   76  H   UNL     1      13.925   1.905   1.978  1.00  0.00           H  
HETATM   77  H   UNL     1      12.753   3.244   2.033  1.00  0.00           H  
HETATM   78  H   UNL     1      12.635   1.910   3.205  1.00  0.00           H  
HETATM   79  H   UNL     1       0.257  -3.224   1.609  1.00  0.00           H  
CONECT    1   31   23   32   32                                       
CONECT    2    3   25   34   35                                       
CONECT    3   20    2   36   37                                       
CONECT    4   12    5   38   39                                       
CONECT    5    4   40   41   42                                       
CONECT    6   21   24   24    9                                       
CONECT    7   22   43   44                                            
CONECT    8    9   10   45   46                                       
CONECT    9    6    8   47   48                                       
CONECT   10    8   11   49   50                                       
CONECT   11   10   12   51   52                                       
CONECT   12   11    4   53   54                                       
CONECT   13   14   21   55   56                                       
CONECT   14   19   13   31   57                                       
CONECT   15   16   17   58   59                                       
CONECT   16   20   15   60   61                                       
CONECT   17   15   26   62   63                                       
CONECT   18   22   30   64   65                                       
CONECT   19   27   14   66   67                                       
CONECT   20    3   16   68   69                                       
CONECT   21   13    6                                                 
CONECT   22    7   18   70   71                                       
CONECT   23    1   25   72   73                                       
CONECT   24    6    6                                                 
CONECT   25   23    2   74   75                                       
CONECT   26   17   76   77   78                                       
CONECT   27   33   19                                                 
CONECT   28   33   79                                                 
CONECT   29   33   33                                                 
CONECT   30   18   33                                                 
CONECT   31   14    1                                                 
CONECT   32    1    1                                                 
CONECT   33   29   29   30   28                                       
CONECT   33   27                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   28                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
