COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.418   4.502  -0.196  1.00  0.00           C  
HETATM    2  C   UNL     1       1.285  -4.938  -0.484  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.077  -4.620   0.132  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.174  -4.911  -0.900  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501  -4.327  -0.398  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.648  -2.914  -0.875  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.680  -1.865  -0.083  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.882  -0.524  -0.739  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.268  -0.359  -1.215  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.892   0.763  -1.410  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.126   2.022  -1.099  1.00  0.00           C  
HETATM   12  C   UNL     1       6.288   3.581  -0.580  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.040   3.226  -0.979  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.858   3.252   0.298  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.056   2.946   1.546  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.130   1.744   1.419  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.297   1.800   0.152  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.328   0.639   0.041  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.040   1.068  -0.619  1.00  0.00           C  
HETATM   20  C   UNL     1       0.263   0.832  -0.032  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.895   0.441   1.615  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.094   2.360   0.176  1.00  0.00           C  
HETATM   23  C   UNL     1       6.154   2.400   0.028  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.555  -2.020   1.402  1.00  0.00           C  
HETATM   25  C   UNL     1       7.133   1.987   1.097  1.00  0.00           C  
HETATM   26  C   UNL     1       2.111  -4.080   1.723  1.00  0.00           C  
HETATM   27  C   UNL     1       1.523   0.601  -0.740  1.00  0.00           C  
HETATM   28  C   UNL     1       2.005   0.496   1.478  1.00  0.00           C  
HETATM   29  C   UNL     1       0.530   0.822   1.333  1.00  0.00           C  
HETATM   30  C   UNL     1       5.057   1.507  -0.344  1.00  0.00           C  
HETATM   31  C   UNL     1       4.906   0.174   0.342  1.00  0.00           C  
HETATM   32  C   UNL     1       3.688  -0.559  -0.229  1.00  0.00           C  
HETATM   33  C   UNL     1       3.613  -1.974   0.376  1.00  0.00           C  
HETATM   34  C   UNL     1       2.598  -2.811  -0.397  1.00  0.00           C  
HETATM   35  C   UNL     1       2.411  -4.191   0.231  1.00  0.00           C  
HETATM   36  N   UNL     1       2.467   0.163   0.121  1.00  0.00           N  
HETATM   37  O   UNL     1       4.269   1.839  -1.205  1.00  0.00           O  
HETATM   38  O   UNL     1       1.342  -2.133  -0.452  1.00  0.00           O  
HETATM   39  O   UNL     1      -1.111   1.638  -1.701  1.00  0.00           O  
HETATM   40  O   UNL     1      -0.332   1.067   2.333  1.00  0.00           O  
HETATM   41  O   UNL     1       1.694   0.759  -1.931  1.00  0.00           O  
HETATM   42  H   UNL     1       7.337   4.757   0.860  1.00  0.00           H  
HETATM   43  H   UNL     1       8.370   4.003  -0.377  1.00  0.00           H  
HETATM   44  H   UNL     1       7.365   5.411  -0.795  1.00  0.00           H  
HETATM   45  H   UNL     1       1.471  -6.012  -0.417  1.00  0.00           H  
HETATM   46  H   UNL     1       1.275  -4.653  -1.540  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.242  -5.255   1.005  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.139  -3.573   0.418  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.915  -4.458  -1.854  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.279  -5.990  -1.018  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.321  -4.928  -0.815  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.549  -4.411   0.680  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.737  -2.732  -1.945  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.253  -0.579  -1.674  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.828  -1.260  -1.414  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.898   0.788  -1.789  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.439   2.203  -1.938  1.00  0.00           H  
HETATM   58  H   UNL     1       5.587   3.877  -1.346  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.445   4.147  -1.051  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.726   3.229  -1.838  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.244   4.292   0.412  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.449   3.822   1.807  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.745   2.770   2.384  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.417   1.811   2.275  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.665   2.728   0.262  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.058   0.329   1.064  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.611   0.315   0.803  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.195  -0.395   1.616  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.426   0.471   2.566  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.783   1.333  -0.018  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.662   2.397   1.106  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.717   2.712  -0.645  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.612  -2.515   1.637  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.578  -1.038   1.874  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.384  -2.622   1.776  1.00  0.00           H  
HETATM   76  H   UNL     1       6.772   2.323   2.069  1.00  0.00           H  
HETATM   77  H   UNL     1       7.230   0.902   1.100  1.00  0.00           H  
HETATM   78  H   UNL     1       8.104   2.439   0.894  1.00  0.00           H  
HETATM   79  H   UNL     1       2.020  -5.079   2.150  1.00  0.00           H  
HETATM   80  H   UNL     1       2.921  -3.546   2.218  1.00  0.00           H  
HETATM   81  H   UNL     1       1.176  -3.537   1.866  1.00  0.00           H  
HETATM   82  H   UNL     1       2.543   1.368   1.848  1.00  0.00           H  
HETATM   83  H   UNL     1       5.802  -0.425   0.174  1.00  0.00           H  
HETATM   84  H   UNL     1       4.768   0.329   1.412  1.00  0.00           H  
HETATM   85  H   UNL     1       3.779  -0.639  -1.309  1.00  0.00           H  
HETATM   86  H   UNL     1       4.597  -2.436   0.319  1.00  0.00           H  
HETATM   87  H   UNL     1       3.321  -1.872   1.418  1.00  0.00           H  
HETATM   88  H   UNL     1       2.965  -2.940  -1.425  1.00  0.00           H  
HETATM   89  H   UNL     1       3.338  -4.764   0.100  1.00  0.00           H  
HETATM   90  H   UNL     1       0.967  -1.929   0.416  1.00  0.00           H  
HETATM   91  H   UNL     1       0.019   1.515   3.115  1.00  0.00           H  
HETATM   92  H   UNL     1       2.137  -0.356   2.140  1.00  0.00           H  
CONECT    1   12   42   43   44                                       
CONECT    2    3   35   45   46                                       
CONECT    3    2    4   47   48                                       
CONECT    4    3    5   49   50                                       
CONECT    5    4    6   51   52                                       
CONECT    6    5    7    7   53                                       
CONECT    7    6    6    8   24                                       
CONECT    8    9    7   18   54                                       
CONECT    9    8   10   10   55                                       
CONECT   10    9    9   11   56                                       
CONECT   11   10   17   13   57                                       
CONECT   12   23   23    1   58                                       
CONECT   13   11   14   59   60                                       
CONECT   14   13   15   22   61                                       
CONECT   15   16   14   62   63                                       
CONECT   16   17   21   15   64                                       
CONECT   17   18   11   16   65                                       
CONECT   18    8   19   17   66                                       
CONECT   19   39   39   18   20                                       
CONECT   20   19   29   29   27                                       
CONECT   21   16   67   68   69                                       
CONECT   22   14   70   71   72                                       
CONECT   23   30   12   12   25                                       
CONECT   24    7   73   74   75                                       
CONECT   25   23   76   77   78                                       
CONECT   26   35   79   80   81                                       
CONECT   27   20   41   41   36                                       
CONECT   28   29   36   82   92                                       
CONECT   29   40   20   20   28                                       
CONECT   30   31   37   37   23                                       
CONECT   31   32   30   83   84                                       
CONECT   32   33   36   31   85                                       
CONECT   33   34   32   86   87                                       
CONECT   34   35   38   33   88                                       
CONECT   35    2   26   34   89                                       
CONECT   36   28   27   32                                            
CONECT   37   30   30                                                 
CONECT   38   34   90                                                 
CONECT   39   19   19                                                 
CONECT   40   29   91                                                 
CONECT   41   27   27                                                 
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   26                                                      
CONECT   82   28                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   32                                                      
CONECT   86   33                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   38                                                      
CONECT   91   40                                                      
CONECT   92   28                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
