COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.411   3.082  -0.129  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.314   4.120  -0.026  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.661   3.855   0.144  1.00  0.00           C  
HETATM    4  C   UNL     1     -11.111   2.549   0.212  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.217   1.502   0.110  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.859   1.763  -0.067  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.894   0.643  -0.177  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.347  -0.675  -0.115  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.452  -1.716  -0.217  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.535   0.909  -0.349  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.638  -0.130  -0.452  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.089  -1.452  -0.384  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.128  -2.567  -0.493  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.520  -3.681  -0.781  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.692  -2.329  -0.252  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.284  -1.272   0.567  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.943  -1.054   0.789  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.502   0.085   1.671  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.184   1.307   0.807  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.737   2.463   1.703  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.736  -3.164  -0.838  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.397  -2.939  -0.611  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.995  -1.883   0.200  1.00  0.00           C  
HETATM   24  O   UNL     1       0.326  -1.664   0.421  1.00  0.00           O  
HETATM   25  C   UNL     1       1.246  -2.554  -0.215  1.00  0.00           C  
HETATM   26  C   UNL     1       2.677  -2.153   0.149  1.00  0.00           C  
HETATM   27  C   UNL     1       3.662  -3.105  -0.531  1.00  0.00           C  
HETATM   28  N   UNL     1       5.029  -2.788  -0.098  1.00  0.00           N  
HETATM   29  C   UNL     1       5.215  -3.099   1.321  1.00  0.00           C  
HETATM   30  C   UNL     1       6.647  -2.722   1.722  1.00  0.00           C  
HETATM   31  C   UNL     1       6.766  -1.197   1.668  1.00  0.00           C  
HETATM   32  C   UNL     1       6.178  -0.688   0.376  1.00  0.00           C  
HETATM   33  C   UNL     1       5.362  -1.473  -0.419  1.00  0.00           C  
HETATM   34  C   UNL     1       4.842  -0.943  -1.601  1.00  0.00           C  
HETATM   35  C   UNL     1       5.140   0.348  -1.981  1.00  0.00           C  
HETATM   36  C   UNL     1       5.959   1.130  -1.189  1.00  0.00           C  
HETATM   37  C   UNL     1       6.477   0.613  -0.012  1.00  0.00           C  
HETATM   38  O   UNL     1       7.282   1.383   0.767  1.00  0.00           O  
HETATM   39  C   UNL     1       7.444   2.749   0.382  1.00  0.00           C  
HETATM   40  C   UNL     1       6.078   3.438   0.359  1.00  0.00           C  
HETATM   41  C   UNL     1       8.355   3.458   1.387  1.00  0.00           C  
HETATM   42  C   UNL     1       8.063   2.815  -0.990  1.00  0.00           C  
HETATM   43  O   UNL     1       8.338   1.796  -1.579  1.00  0.00           O  
HETATM   44  O   UNL     1       8.309   4.005  -1.559  1.00  0.00           O  
HETATM   45  H   UNL     1      -7.360   3.290  -0.261  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.969   5.142  -0.079  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.364   4.671   0.224  1.00  0.00           H  
HETATM   48  H   UNL     1     -12.164   2.347   0.345  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.570   0.482   0.164  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.399  -0.879   0.014  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.802  -2.736  -0.168  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.187   1.930  -0.401  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.586   0.076  -0.586  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.020  -0.627   1.024  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.300   0.333   2.371  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.611  -0.209   2.226  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.386   1.059   0.107  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.076   1.601   0.252  1.00  0.00           H  
HETATM   59  H   UNL     1       0.155   2.169   2.258  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.510   3.334   1.087  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.535   2.711   2.403  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.047  -3.985  -1.467  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.657  -3.584  -1.062  1.00  0.00           H  
HETATM   64  H   UNL     1       1.057  -3.573   0.122  1.00  0.00           H  
HETATM   65  H   UNL     1       1.117  -2.498  -1.296  1.00  0.00           H  
HETATM   66  H   UNL     1       2.865  -1.134  -0.187  1.00  0.00           H  
HETATM   67  H   UNL     1       2.806  -2.209   1.230  1.00  0.00           H  
HETATM   68  H   UNL     1       3.423  -4.133  -0.257  1.00  0.00           H  
HETATM   69  H   UNL     1       3.589  -2.992  -1.613  1.00  0.00           H  
HETATM   70  H   UNL     1       4.505  -2.525   1.917  1.00  0.00           H  
HETATM   71  H   UNL     1       5.057  -4.164   1.486  1.00  0.00           H  
HETATM   72  H   UNL     1       6.851  -3.072   2.734  1.00  0.00           H  
HETATM   73  H   UNL     1       7.355  -3.173   1.027  1.00  0.00           H  
HETATM   74  H   UNL     1       6.226  -0.762   2.509  1.00  0.00           H  
HETATM   75  H   UNL     1       7.816  -0.913   1.726  1.00  0.00           H  
HETATM   76  H   UNL     1       4.202  -1.551  -2.224  1.00  0.00           H  
HETATM   77  H   UNL     1       4.733   0.749  -2.898  1.00  0.00           H  
HETATM   78  H   UNL     1       6.195   2.141  -1.487  1.00  0.00           H  
HETATM   79  H   UNL     1       5.688   3.505   1.374  1.00  0.00           H  
HETATM   80  H   UNL     1       6.183   4.439  -0.058  1.00  0.00           H  
HETATM   81  H   UNL     1       5.390   2.858  -0.257  1.00  0.00           H  
HETATM   82  H   UNL     1       9.354   3.024   1.340  1.00  0.00           H  
HETATM   83  H   UNL     1       8.408   4.519   1.144  1.00  0.00           H  
HETATM   84  H   UNL     1       7.952   3.335   2.392  1.00  0.00           H  
HETATM   85  H   UNL     1       8.708   3.997  -2.441  1.00  0.00           H  
CONECT    1    6    6    2   45                                       
CONECT    2    1    3    3   46                                       
CONECT    3    2    2    4   47                                       
CONECT    4    3    5    5   48                                       
CONECT    5    4    4    6   49                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6    8    8   10                                       
CONECT    8    7    7    9   50                                       
CONECT    9    8   12   12   51                                       
CONECT   10    7   11   11   52                                       
CONECT   11   10   10   12   53                                       
CONECT   12    9    9   11   13                                       
CONECT   13   12   15   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   16   21                                       
CONECT   16   15   15   17   54                                       
CONECT   17   16   18   23   23                                       
CONECT   18   17   19   55   56                                       
CONECT   19   18   20   57   58                                       
CONECT   20   19   59   60   61                                       
CONECT   21   15   22   22   62                                       
CONECT   22   21   21   23   63                                       
CONECT   23   17   17   22   24                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   64   65                                       
CONECT   26   25   27   66   67                                       
CONECT   27   26   28   68   69                                       
CONECT   28   27   33   29                                            
CONECT   29   28   30   70   71                                       
CONECT   30   29   31   72   73                                       
CONECT   31   30   32   74   75                                       
CONECT   32   31   37   37   33                                       
CONECT   33   28   32   34   34                                       
CONECT   34   33   33   35   76                                       
CONECT   35   34   36   36   77                                       
CONECT   36   35   35   37   78                                       
CONECT   37   32   32   36   38                                       
CONECT   38   37   39                                                 
CONECT   39   38   42   40   41                                       
CONECT   40   39   79   80   81                                       
CONECT   41   39   82   83   84                                       
CONECT   42   39   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   85                                                 
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   16                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   31                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   41                                                      
CONECT   84   41                                                      
CONECT   85   44                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
