COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.135  -1.032  -0.213  1.00  0.00           C  
HETATM    2  O   UNL     1       5.550  -2.022  -0.606  1.00  0.00           O  
HETATM    3  O   UNL     1       7.389  -1.135   0.265  1.00  0.00           O  
HETATM    4  C   UNL     1       7.981  -2.461   0.281  1.00  0.00           C  
HETATM    5  C   UNL     1       9.377  -2.381   0.844  1.00  0.00           C  
HETATM    6  C   UNL     1       9.583  -2.525   2.204  1.00  0.00           C  
HETATM    7  C   UNL     1      10.863  -2.452   2.720  1.00  0.00           C  
HETATM    8  C   UNL     1      11.937  -2.235   1.878  1.00  0.00           C  
HETATM    9  C   UNL     1      11.731  -2.092   0.518  1.00  0.00           C  
HETATM   10  C   UNL     1      10.451  -2.170   0.001  1.00  0.00           C  
HETATM   11  N   UNL     1       5.529   0.171  -0.261  1.00  0.00           N  
HETATM   12  C   UNL     1       4.166   0.285  -0.786  1.00  0.00           C  
HETATM   13  C   UNL     1       3.717   1.746  -0.729  1.00  0.00           C  
HETATM   14  CA  UNL     1       2.294   1.865  -1.278  1.00  0.00           C  
HETATM   15  C   UNL     1       1.898   3.318  -1.337  1.00  0.00           C  
HETATM   16  O   UNL     1       0.942   3.709  -0.709  1.00  0.00           O  
HETATM   17  OXT UNL     1       2.606   4.177  -2.085  1.00  0.00           O  
HETATM   18  N   UNL     1       1.368   1.140  -0.398  1.00  0.00           N  
HETATM   19  C   UNL     1       0.114   0.826  -1.096  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.021   0.804  -0.105  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.807   1.027   1.067  1.00  0.00           O  
HETATM   22  C   UNL     1       0.233  -0.544  -1.767  1.00  0.00           C  
HETATM   23  C   UNL     1       1.287  -0.480  -2.875  1.00  0.00           C  
HETATM   24  C   UNL     1       1.482  -1.874  -3.474  1.00  0.00           C  
HETATM   25  C   UNL     1       0.820   0.484  -3.967  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.274   0.536  -0.522  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.378   0.514   0.441  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.485  -0.364  -0.083  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.364  -0.917  -1.156  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.906   1.935   0.643  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.836   2.783   1.282  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.940   3.477   0.491  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.754   2.871   2.659  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.959   4.254   1.077  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.773   3.648   3.245  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.874   4.338   2.454  1.00  0.00           C  
HETATM   37  O   UNL     1     -11.565  -2.879  -0.084  1.00  0.00           O  
HETATM   38  C   UNL     1     -11.007  -3.446   1.105  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.935  -2.504   1.659  1.00  0.00           C  
HETATM   40  N   UNL     1      -8.917  -2.266   0.625  1.00  0.00           N  
HETATM   41  C   UNL     1      -9.525  -1.684  -0.580  1.00  0.00           C  
HETATM   42  C   UNL     1     -10.601  -2.634  -1.112  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.838  -1.411   1.136  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.686  -1.388   0.130  1.00  0.00           C  
HETATM   45  N   UNL     1      -5.609  -0.535   0.640  1.00  0.00           N  
HETATM   46  H   UNL     1       7.376  -3.122   0.902  1.00  0.00           H  
HETATM   47  H   UNL     1       8.021  -2.853  -0.735  1.00  0.00           H  
HETATM   48  H   UNL     1       8.743  -2.694   2.862  1.00  0.00           H  
HETATM   49  H   UNL     1      11.023  -2.563   3.782  1.00  0.00           H  
HETATM   50  H   UNL     1      12.937  -2.177   2.281  1.00  0.00           H  
HETATM   51  H   UNL     1      12.570  -1.922  -0.140  1.00  0.00           H  
HETATM   52  H   UNL     1      10.291  -2.062  -1.062  1.00  0.00           H  
HETATM   53  H   UNL     1       5.995   0.962   0.053  1.00  0.00           H  
HETATM   54  H   UNL     1       4.145  -0.062  -1.819  1.00  0.00           H  
HETATM   55  H   UNL     1       3.492  -0.326  -0.184  1.00  0.00           H  
HETATM   56  H   UNL     1       3.739   2.093   0.304  1.00  0.00           H  
HETATM   57  H   UNL     1       4.391   2.357  -1.331  1.00  0.00           H  
HETATM   58  HA  UNL     1       2.254   1.436  -2.279  1.00  0.00           H  
HETATM   59  HXT UNL     1       2.314   5.099  -2.092  1.00  0.00           H  
HETATM   60  H   UNL     1       1.190   1.661   0.448  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.079   1.586  -1.853  1.00  0.00           H  
HETATM   62  H   UNL     1       0.529  -1.286  -1.026  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.729  -0.823  -2.196  1.00  0.00           H  
HETATM   64  H   UNL     1       2.230  -0.127  -2.458  1.00  0.00           H  
HETATM   65  H   UNL     1       0.538  -2.226  -3.890  1.00  0.00           H  
HETATM   66  H   UNL     1       2.233  -1.828  -4.263  1.00  0.00           H  
HETATM   67  H   UNL     1       1.815  -2.560  -2.695  1.00  0.00           H  
HETATM   68  H   UNL     1       0.680   1.477  -3.541  1.00  0.00           H  
HETATM   69  H   UNL     1       1.570   0.530  -4.756  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.124   0.132  -4.384  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.445   0.357  -1.460  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.021   0.120   1.393  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.180   2.362  -0.321  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.783   1.908   1.291  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.007   3.411  -0.585  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.458   2.333   3.277  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.258   4.796   0.458  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.709   3.717   4.321  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.106   4.945   2.911  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.793  -3.580   1.847  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.558  -4.411   0.871  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.394  -1.558   1.943  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.467  -2.959   2.532  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.978  -0.724  -0.332  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.759  -1.540  -1.341  1.00  0.00           H  
HETATM   86  H   UNL     1     -10.141  -3.576  -1.410  1.00  0.00           H  
HETATM   87  H   UNL     1     -11.094  -2.181  -1.972  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.215  -0.398   1.281  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.482  -1.805   2.088  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.309  -2.400  -0.014  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.042  -0.994  -0.822  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.706  -0.092   1.498  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   46   47                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   48                                       
CONECT    7    6    8    8   49                                       
CONECT    8    7    7    9   50                                       
CONECT    9    8   10   10   51                                       
CONECT   10    5    9    9   52                                       
CONECT   11   12   53    1                                            
CONECT   12   11   13   54   55                                       
CONECT   13   12   14   56   57                                       
CONECT   14   13   15   58   18                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   59                                                 
CONECT   18   19   60   14                                            
CONECT   19   18   20   22   61                                       
CONECT   20   19   21   21   26                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   62   63                                       
CONECT   23   22   24   25   64                                       
CONECT   24   23   65   66   67                                       
CONECT   25   23   68   69   70                                       
CONECT   26   27   71   20                                            
CONECT   27   26   28   30   72                                       
CONECT   28   27   29   29   45                                       
CONECT   29   28   28                                                 
CONECT   30   27   31   73   74                                       
CONECT   31   30   32   32   33                                       
CONECT   32   31   31   34   75                                       
CONECT   33   31   35   35   76                                       
CONECT   34   32   36   36   77                                       
CONECT   35   33   33   36   78                                       
CONECT   36   34   34   35   79                                       
CONECT   37   38   42                                                 
CONECT   38   37   39   80   81                                       
CONECT   39   38   40   82   83                                       
CONECT   40   39   41   43                                            
CONECT   41   40   42   84   85                                       
CONECT   42   37   41   86   87                                       
CONECT   43   40   44   88   89                                       
CONECT   44   43   45   90   91                                       
CONECT   45   44   92   28                                            
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   39                                                      
CONECT   84   41                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   42                                                      
CONECT   88   43                                                      
CONECT   89   43                                                      
CONECT   90   44                                                      
CONECT   91   44                                                      
CONECT   92   45                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
