COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.464  -1.084   0.029  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.548  -0.875   1.088  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.867  -1.471   0.592  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.283  -0.778  -0.707  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.199  -0.987  -1.766  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.880  -0.392  -1.270  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.282  -2.582  -0.227  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.686  -2.969   0.336  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.018  -2.485  -2.022  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.602  -3.178  -0.723  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.144  -0.488   0.525  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.282   1.031   0.638  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.972   1.620   0.960  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.927   2.089   1.217  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.617   2.677   1.540  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.618   2.337   0.432  1.00  0.00           C  
HETATM   17  C   UNL     1       0.772   2.841   0.825  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.054   3.009  -0.872  1.00  0.00           C  
HETATM   19  O   UNL     1      -6.215   1.349   1.673  1.00  0.00           O  
HETATM   20  C   UNL     1       1.788   2.481  -0.248  1.00  0.00           C  
HETATM   21  C   UNL     1       3.105   2.293   0.558  1.00  0.00           C  
HETATM   22  C   UNL     1       2.617   1.444   1.734  1.00  0.00           C  
HETATM   23  C   UNL     1       1.264   2.119   2.107  1.00  0.00           C  
HETATM   24  C   UNL     1       2.061   3.486  -1.343  1.00  0.00           C  
HETATM   25  C   UNL     1       3.030   2.831  -2.342  1.00  0.00           C  
HETATM   26  C   UNL     1       4.339   2.415  -1.673  1.00  0.00           C  
HETATM   27  C   UNL     1       4.070   1.652  -0.394  1.00  0.00           C  
HETATM   28  C   UNL     1       1.396   1.148  -0.888  1.00  0.00           C  
HETATM   29  C   UNL     1       4.642   0.482  -0.131  1.00  0.00           C  
HETATM   30  C   UNL     1       5.574  -0.116  -1.099  1.00  0.00           C  
HETATM   31  C   UNL     1       6.224  -1.233  -0.792  1.00  0.00           C  
HETATM   32  C   UNL     1       7.269  -1.797  -1.727  1.00  0.00           C  
HETATM   33  C   UNL     1       8.582  -1.963  -0.951  1.00  0.00           C  
HETATM   34  C   UNL     1       8.290  -2.693   0.340  1.00  0.00           C  
HETATM   35  C   UNL     1       7.245  -2.129   1.276  1.00  0.00           C  
HETATM   36  C   UNL     1       5.936  -1.960   0.502  1.00  0.00           C  
HETATM   37  C   UNL     1       8.929  -3.796   0.642  1.00  0.00           C  
HETATM   38  O   UNL     1       7.045  -3.028   2.369  1.00  0.00           O  
HETATM   39  O   UNL     1       9.134  -0.677  -0.661  1.00  0.00           O  
HETATM   40  H   UNL     1      -7.251  -1.369   2.014  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.677   0.191   1.270  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.639  -1.322   1.347  1.00  0.00           H  
HETATM   43  H   UNL     1     -10.223  -1.203  -1.060  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.412   0.288  -0.525  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.495  -0.494  -2.692  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.009   0.675  -1.088  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.107  -0.540  -2.025  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.510  -2.731  -0.982  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.986  -3.075   0.699  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.389  -3.462   1.262  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.625  -3.393  -0.017  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.957  -2.909  -2.375  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.245  -2.634  -2.777  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.473  -4.245  -0.905  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.902  -0.905   1.503  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.349  -0.730  -0.180  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.639   1.435  -0.309  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.714   3.760   1.620  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.260   2.273   2.487  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.586   1.256   0.291  1.00  0.00           H  
HETATM   61  H   UNL     1       0.753   3.919   0.982  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.343   2.766  -1.661  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.044   2.650  -1.152  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.086   4.089  -0.731  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.961   1.020   2.546  1.00  0.00           H  
HETATM   66  H   UNL     1       3.487   3.253   0.906  1.00  0.00           H  
HETATM   67  H   UNL     1       2.462   0.410   1.426  1.00  0.00           H  
HETATM   68  H   UNL     1       3.318   1.500   2.567  1.00  0.00           H  
HETATM   69  H   UNL     1       1.414   2.839   2.911  1.00  0.00           H  
HETATM   70  H   UNL     1       0.540   1.363   2.411  1.00  0.00           H  
HETATM   71  H   UNL     1       1.130   3.746  -1.847  1.00  0.00           H  
HETATM   72  H   UNL     1       2.515   4.381  -0.918  1.00  0.00           H  
HETATM   73  H   UNL     1       2.552   1.948  -2.766  1.00  0.00           H  
HETATM   74  H   UNL     1       3.249   3.535  -3.144  1.00  0.00           H  
HETATM   75  H   UNL     1       4.908   1.787  -2.357  1.00  0.00           H  
HETATM   76  H   UNL     1       4.919   3.307  -1.436  1.00  0.00           H  
HETATM   77  H   UNL     1       1.147   0.429  -0.107  1.00  0.00           H  
HETATM   78  H   UNL     1       0.530   1.295  -1.534  1.00  0.00           H  
HETATM   79  H   UNL     1       2.230   0.769  -1.478  1.00  0.00           H  
HETATM   80  H   UNL     1       4.422  -0.029   0.795  1.00  0.00           H  
HETATM   81  H   UNL     1       5.730   0.354  -2.059  1.00  0.00           H  
HETATM   82  H   UNL     1       6.941  -2.766  -2.102  1.00  0.00           H  
HETATM   83  H   UNL     1       7.419  -1.113  -2.563  1.00  0.00           H  
HETATM   84  H   UNL     1       9.290  -2.539  -1.548  1.00  0.00           H  
HETATM   85  H   UNL     1       7.573  -1.160   1.650  1.00  0.00           H  
HETATM   86  H   UNL     1       5.231  -1.382   1.099  1.00  0.00           H  
HETATM   87  H   UNL     1       5.513  -2.940   0.279  1.00  0.00           H  
HETATM   88  H   UNL     1       8.712  -4.311   1.566  1.00  0.00           H  
HETATM   89  H   UNL     1       9.674  -4.190  -0.034  1.00  0.00           H  
HETATM   90  H   UNL     1       7.840  -3.189   2.895  1.00  0.00           H  
HETATM   91  H   UNL     1       9.967  -0.708  -0.170  1.00  0.00           H  
CONECT    1    7    6   11    2                                       
CONECT    2    1    3   40   41                                       
CONECT    3    8    4    2   42                                       
CONECT    4    5    3   43   44                                       
CONECT    5    9    6    4   45                                       
CONECT    6    5    1   46   47                                       
CONECT    7   10    1   48   49                                       
CONECT    8   10    3   50   51                                       
CONECT    9   10    5   52   53                                       
CONECT   10    9    7    8   54                                       
CONECT   11    1   12   55   56                                       
CONECT   12   11   19   13   57                                       
CONECT   13   12   14   14   14                                       
CONECT   14   13   13   13   15                                       
CONECT   15   16   14   58   59                                       
CONECT   16   17   18   15   60                                       
CONECT   17   20   23   16   61                                       
CONECT   18   16   62   63   64                                       
CONECT   19   12   65                                                 
CONECT   20   28   21   24   17                                       
CONECT   21   27   20   22   66                                       
CONECT   22   21   23   67   68                                       
CONECT   23   22   17   69   70                                       
CONECT   24   25   20   71   72                                       
CONECT   25   26   24   73   74                                       
CONECT   26   27   25   75   76                                       
CONECT   27   29   29   26   21                                       
CONECT   28   20   77   78   79                                       
CONECT   29   30   27   27   80                                       
CONECT   30   31   31   29   81                                       
CONECT   31   36   32   30   30                                       
CONECT   32   33   31   82   83                                       
CONECT   33   34   32   39   84                                       
CONECT   34   37   37   35   33                                       
CONECT   35   38   34   36   85                                       
CONECT   36   35   31   86   87                                       
CONECT   37   34   34   88   89                                       
CONECT   38   35   90                                                 
CONECT   39   33   91                                                 
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   32                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   37                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
