COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.080   1.420  -1.368  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.591  -0.544  -1.711  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.463   0.351  -1.450  1.00  0.00           N  
HETATM    4  C   UNL     1      -5.652   1.648  -1.166  1.00  0.00           C  
HETATM    5  N   UNL     1      -6.871   2.208  -1.125  1.00  0.00           N  
HETATM    6  C   UNL     1       3.144   3.169   1.052  1.00  0.00           C  
HETATM    7  C   UNL     1       4.081   2.994   0.052  1.00  0.00           C  
HETATM    8  C   UNL     1       5.404   3.326   0.278  1.00  0.00           C  
HETATM    9  C   UNL     1       5.789   3.834   1.504  1.00  0.00           C  
HETATM   10  C   UNL     1       4.851   4.011   2.505  1.00  0.00           C  
HETATM   11  C   UNL     1       3.528   3.682   2.277  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.681   2.346  -0.947  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.099  -0.182  -1.493  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.491  -0.121  -0.116  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.284  -0.673   0.114  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.754  -0.736   1.478  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.256   0.652  -2.460  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.882   0.000  -2.632  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.959   0.724  -3.817  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.089   0.427   0.787  1.00  0.00           O  
HETATM   21  C   UNL     1      -5.547  -3.147   1.273  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.197  -2.802   2.444  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.487  -2.241   3.489  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.127  -2.028   3.365  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.478  -2.368   2.193  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.188  -2.930   1.148  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.996  -2.131   2.056  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.251  -0.447   1.455  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.019   1.014   1.065  1.00  0.00           C  
HETATM   30  C   UNL     1       1.469   1.346   1.197  1.00  0.00           C  
HETATM   31  N   UNL     1       2.244   0.474   0.311  1.00  0.00           N  
HETATM   32  C   UNL     1       3.536   0.208   0.589  1.00  0.00           C  
HETATM   33  C   UNL     1       4.334  -0.689  -0.322  1.00  0.00           C  
HETATM   34  O   UNL     1       5.665  -0.817   0.181  1.00  0.00           O  
HETATM   35  C   UNL     1       6.333  -1.632  -0.677  1.00  0.00           C  
HETATM   36  O   UNL     1      -0.434   1.217  -0.287  1.00  0.00           O  
HETATM   37  C   UNL     1       1.702   2.807   0.806  1.00  0.00           C  
HETATM   38  O   UNL     1       4.056   0.690   1.573  1.00  0.00           O  
HETATM   39  C   UNL     1       7.010  -1.094  -1.761  1.00  0.00           C  
HETATM   40  C   UNL     1       7.688  -1.924  -2.632  1.00  0.00           C  
HETATM   41  C   UNL     1       7.692  -3.291  -2.424  1.00  0.00           C  
HETATM   42  C   UNL     1       7.018  -3.830  -1.344  1.00  0.00           C  
HETATM   43  C   UNL     1       6.343  -3.003  -0.467  1.00  0.00           C  
HETATM   44  C   UNL     1       5.608  -3.591   0.710  1.00  0.00           C  
HETATM   45  C   UNL     1       7.007   0.396  -1.989  1.00  0.00           C  
HETATM   46  C   UNL     1      -7.744   0.263  -2.316  1.00  0.00           C  
HETATM   47  H   UNL     1      -8.843   2.053  -1.821  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.450   1.021  -0.423  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.285  -1.322  -2.411  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.917  -1.002  -0.777  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.952   3.154  -0.927  1.00  0.00           H  
HETATM   52  H   UNL     1       3.780   2.597  -0.906  1.00  0.00           H  
HETATM   53  H   UNL     1       6.136   3.188  -0.504  1.00  0.00           H  
HETATM   54  H   UNL     1       6.822   4.093   1.681  1.00  0.00           H  
HETATM   55  H   UNL     1       5.152   4.407   3.463  1.00  0.00           H  
HETATM   56  H   UNL     1       2.795   3.820   3.059  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.124  -1.218  -1.833  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.765  -1.030  -0.625  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.257   0.007   2.097  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.133   1.658  -2.060  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.315   0.542  -3.388  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.345   0.029  -1.684  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.009  -1.036  -2.946  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.896   1.270  -3.712  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.317   1.239  -4.532  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.164  -0.285  -4.175  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.102  -3.585   0.457  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.259  -2.971   2.541  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.995  -1.971   4.403  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.573  -1.590   4.182  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.680  -3.199   0.234  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.569  -2.880   1.389  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.525  -2.206   3.036  1.00  0.00           H  
HETATM   74  H   UNL     1       0.169  -0.630   2.444  1.00  0.00           H  
HETATM   75  H   UNL     1       0.233  -1.099   0.728  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.596   1.663   1.724  1.00  0.00           H  
HETATM   77  H   UNL     1       1.786   1.191   2.228  1.00  0.00           H  
HETATM   78  H   UNL     1       1.828   0.089  -0.476  1.00  0.00           H  
HETATM   79  H   UNL     1       3.866  -1.672  -0.365  1.00  0.00           H  
HETATM   80  H   UNL     1       4.364  -0.256  -1.322  1.00  0.00           H  
HETATM   81  H   UNL     1       0.096   0.623  -0.835  1.00  0.00           H  
HETATM   82  H   UNL     1       1.468   2.942  -0.250  1.00  0.00           H  
HETATM   83  H   UNL     1       1.058   3.451   1.406  1.00  0.00           H  
HETATM   84  H   UNL     1       8.216  -1.506  -3.477  1.00  0.00           H  
HETATM   85  H   UNL     1       8.223  -3.939  -3.106  1.00  0.00           H  
HETATM   86  H   UNL     1       7.022  -4.898  -1.183  1.00  0.00           H  
HETATM   87  H   UNL     1       6.280  -3.648   1.567  1.00  0.00           H  
HETATM   88  H   UNL     1       4.755  -2.959   0.958  1.00  0.00           H  
HETATM   89  H   UNL     1       5.257  -4.591   0.456  1.00  0.00           H  
HETATM   90  H   UNL     1       7.854   0.845  -1.470  1.00  0.00           H  
HETATM   91  H   UNL     1       7.085   0.601  -3.057  1.00  0.00           H  
HETATM   92  H   UNL     1       6.079   0.820  -1.605  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.444   0.661  -3.285  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.618  -0.378  -2.435  1.00  0.00           H  
CONECT    1    5   46   47   48                                       
CONECT    2    3   46   49   50                                       
CONECT    3    2    4   13                                            
CONECT    4    3    5   12   12                                       
CONECT    5    1    4   51                                            
CONECT    6    7    7   11   37                                       
CONECT    7    6    6    8   52                                       
CONECT    8    7    9    9   53                                       
CONECT    9    8    8   10   54                                       
CONECT   10    9   11   11   55                                       
CONECT   11    6   10   10   56                                       
CONECT   12    4    4                                                 
CONECT   13    3   14   17   57                                       
CONECT   14   13   15   20   20                                       
CONECT   15   14   16   58                                            
CONECT   16   15   27   28   59                                       
CONECT   17   13   18   19   60                                       
CONECT   18   17   61   62   63                                       
CONECT   19   17   64   65   66                                       
CONECT   20   14   14                                                 
CONECT   21   22   22   26   67                                       
CONECT   22   21   21   23   68                                       
CONECT   23   22   24   24   69                                       
CONECT   24   23   23   25   70                                       
CONECT   25   24   26   26   27                                       
CONECT   26   21   25   25   71                                       
CONECT   27   16   25   72   73                                       
CONECT   28   16   29   74   75                                       
CONECT   29   28   30   36   76                                       
CONECT   30   29   31   37   77                                       
CONECT   31   30   32   78                                            
CONECT   32   31   33   38   38                                       
CONECT   33   32   34   79   80                                       
CONECT   34   33   35                                                 
CONECT   35   34   39   39   43                                       
CONECT   36   29   81                                                 
CONECT   37    6   30   82   83                                       
CONECT   38   32   32                                                 
CONECT   39   35   35   40   45                                       
CONECT   40   39   41   41   84                                       
CONECT   41   40   40   42   85                                       
CONECT   42   41   43   43   86                                       
CONECT   43   35   42   42   44                                       
CONECT   44   43   87   88   89                                       
CONECT   45   39   90   91   92                                       
CONECT   46    1    2   93   94                                       
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    5                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   44                                                      
CONECT   88   44                                                      
CONECT   89   44                                                      
CONECT   90   45                                                      
CONECT   91   45                                                      
CONECT   92   45                                                      
CONECT   93   46                                                      
CONECT   94   46                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
