COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.304   2.682   0.599  1.00  0.00           C  
HETATM    2  N   UNL     1       0.715   2.392  -1.710  1.00  0.00           N  
HETATM    3  C   UNL     1      -6.857   2.339   0.229  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.786   1.328  -0.186  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.410   1.995  -0.141  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.339   0.984  -0.556  1.00  0.00           C  
HETATM    7  C   UNL     1       0.447   1.329  -1.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.558   1.835  -0.682  1.00  0.00           C  
HETATM    9  C   UNL     1       3.958   1.820  -0.208  1.00  0.00           C  
HETATM   10  C   UNL     1       4.994   2.118  -1.080  1.00  0.00           C  
HETATM   11  C   UNL     1       6.309   2.091  -0.579  1.00  0.00           C  
HETATM   12  C   UNL     1       6.524   1.762   0.782  1.00  0.00           C  
HETATM   13  C   UNL     1       4.251   1.506   1.137  1.00  0.00           C  
HETATM   14  C   UNL     1       3.587   0.909   3.337  1.00  0.00           C  
HETATM   15  C   UNL     1       1.998   2.731  -1.541  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.625  -3.739   0.844  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.158  -3.975   0.493  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.790  -4.123  -0.987  1.00  0.00           C  
HETATM   19  C   UNL     1       2.873  -4.855  -0.537  1.00  0.00           C  
HETATM   20  C   UNL     1       3.127  -5.385  -1.949  1.00  0.00           C  
HETATM   21  N   UNL     1       5.486   1.481   1.580  1.00  0.00           N  
HETATM   22  C   UNL     1      -8.233   1.672   0.184  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.963   1.652  -0.511  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.892   0.641  -0.926  1.00  0.00           C  
HETATM   25  C   UNL     1       7.407   2.382  -1.405  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.831  -0.440   0.060  1.00  0.00           N  
HETATM   27  O   UNL     1      -8.253   0.560   1.081  1.00  0.00           O  
HETATM   28  C   UNL     1       8.667   2.345  -0.889  1.00  0.00           C  
HETATM   29  O   UNL     1       3.235   1.219   1.988  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.482  -1.536  -0.939  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.674  -1.488  -0.035  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.612  -2.600   0.980  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.322  -4.831   1.450  1.00  0.00           C  
HETATM   34  C   UNL     1       1.162  -4.589   1.155  1.00  0.00           C  
HETATM   35  N   UNL     1       1.430  -4.864  -0.262  1.00  0.00           N  
HETATM   36  C   UNL     1       0.722  -3.923  -1.138  1.00  0.00           C  
HETATM   37  O   UNL     1      -8.498   1.217  -1.145  1.00  0.00           O  
HETATM   38  C   UNL     1     -10.680   2.015   0.553  1.00  0.00           C  
HETATM   39  N   UNL     1       1.563   0.946  -0.343  1.00  0.00           N  
HETATM   40  C   UNL     1       7.839   1.735   1.278  1.00  0.00           C  
HETATM   41  C   UNL     1       8.881   2.021   0.449  1.00  0.00           C  
HETATM   42  H   UNL     1      -9.101   3.030   1.612  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.288   3.530  -0.085  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.655   2.686   1.242  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.841   3.187  -0.455  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.801   0.480   0.498  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.988   0.981  -1.200  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.394   2.843  -0.825  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.208   2.342   0.873  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.354   0.137   0.128  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.541   0.637  -1.570  1.00  0.00           H  
HETATM   52  H   UNL     1       4.798   2.365  -2.113  1.00  0.00           H  
HETATM   53  H   UNL     1       4.237   0.034   3.352  1.00  0.00           H  
HETATM   54  H   UNL     1       4.110   1.757   3.780  1.00  0.00           H  
HETATM   55  H   UNL     1       2.684   0.700   3.910  1.00  0.00           H  
HETATM   56  H   UNL     1       2.501   3.568  -2.003  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.337  -3.684   0.020  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.002  -4.189   1.762  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.063  -5.120  -1.334  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.319  -3.372  -1.572  1.00  0.00           H  
HETATM   61  H   UNL     1       3.385  -5.489   0.187  1.00  0.00           H  
HETATM   62  H   UNL     1       3.251  -3.836  -0.458  1.00  0.00           H  
HETATM   63  H   UNL     1       2.615  -4.751  -2.673  1.00  0.00           H  
HETATM   64  H   UNL     1       4.198  -5.379  -2.153  1.00  0.00           H  
HETATM   65  H   UNL     1       2.749  -6.405  -2.027  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.947   2.500  -1.195  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.761   1.999   0.503  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.142   0.227  -1.903  1.00  0.00           H  
HETATM   69  H   UNL     1       7.253   2.633  -2.444  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.185  -0.402   0.783  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.081   0.795   2.003  1.00  0.00           H  
HETATM   72  H   UNL     1       9.510   2.569  -1.525  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.322  -2.301   1.987  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.541  -4.549   2.480  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.558  -5.885   1.299  1.00  0.00           H  
HETATM   76  H   UNL     1       1.412  -3.551   1.377  1.00  0.00           H  
HETATM   77  H   UNL     1       1.769  -5.249   1.774  1.00  0.00           H  
HETATM   78  H   UNL     1       1.010  -4.103  -2.174  1.00  0.00           H  
HETATM   79  H   UNL     1       0.982  -2.901  -0.860  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.499   1.920  -1.809  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.443   2.736   0.850  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.882   1.668  -0.460  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.695   1.167   1.238  1.00  0.00           H  
HETATM   84  H   UNL     1       1.648   0.186   0.255  1.00  0.00           H  
HETATM   85  H   UNL     1       8.023   1.487   2.313  1.00  0.00           H  
HETATM   86  H   UNL     1       9.889   1.999   0.835  1.00  0.00           H  
CONECT    1   22   38   42   43                                       
CONECT    2    7    7   15                                            
CONECT    3    4   22   44   45                                       
CONECT    4    5    3   46   47                                       
CONECT    5    6    4   48   49                                       
CONECT    6   23    5   50   51                                       
CONECT    7    2    2   24   39                                       
CONECT    8   15   15   39    9                                       
CONECT    9    8   13   13   10                                       
CONECT   10    9   11   11   52                                       
CONECT   11   10   10   12   25                                       
CONECT   12   21   21   11   40                                       
CONECT   13   29    9    9   21                                       
CONECT   14   29   53   54   55                                       
CONECT   15    2    8    8   56                                       
CONECT   16   32   17   57   58                                       
CONECT   17   16   32   18   33                                       
CONECT   18   17   36   59   60                                       
CONECT   19   35   20   61   62                                       
CONECT   20   19   63   64   65                                       
CONECT   21   13   12   12                                            
CONECT   22   37   27    3    1                                       
CONECT   23   24    6   66   67                                       
CONECT   24   26    7   23   68                                       
CONECT   25   11   28   28   69                                       
CONECT   26   31   24   70                                            
CONECT   27   22   71                                                 
CONECT   28   25   25   41   72                                       
CONECT   29   14   13                                                 
CONECT   30   31   31                                                 
CONECT   31   30   30   32   26                                       
CONECT   32   16   31   17   73                                       
CONECT   33   17   34   74   75                                       
CONECT   34   33   35   76   77                                       
CONECT   35   36   34   19                                            
CONECT   36   18   35   78   79                                       
CONECT   37   22   80                                                 
CONECT   38    1   81   82   83                                       
CONECT   39    7    8   84                                            
CONECT   40   12   41   41   85                                       
CONECT   41   40   40   28   86                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52   10                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
