COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.949  -0.019   0.308  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.697   0.997  -1.965  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.379   2.432  -2.325  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.421   2.900  -1.204  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.806   1.954  -0.045  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.570   1.585   0.779  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.361   0.738   0.465  1.00  0.00           C  
HETATM    8  C   UNL     1       0.946  -1.461   0.820  1.00  0.00           C  
HETATM    9  C   UNL     1       2.181  -1.694   1.693  1.00  0.00           C  
HETATM   10  C   UNL     1       2.079  -0.842   2.959  1.00  0.00           C  
HETATM   11  C   UNL     1       2.261  -3.173   2.078  1.00  0.00           C  
HETATM   12  C   UNL     1       2.037   0.146  -0.722  1.00  0.00           C  
HETATM   13  C   UNL     1       4.374   0.495  -1.318  1.00  0.00           C  
HETATM   14  C   UNL     1       5.584   1.107  -0.609  1.00  0.00           C  
HETATM   15  C   UNL     1       5.195   2.464  -0.017  1.00  0.00           C  
HETATM   16  C   UNL     1       4.182   2.287   1.093  1.00  0.00           C  
HETATM   17  C   UNL     1       6.220   2.658   2.143  1.00  0.00           C  
HETATM   18  C   UNL     1       6.410   3.118   0.680  1.00  0.00           C  
HETATM   19  C   UNL     1       4.794  -0.800  -2.015  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.535  -0.535  -0.015  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.916  -0.592   0.642  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.045  -1.888   1.445  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.425  -1.946   2.102  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.507  -1.906   1.021  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.378  -0.609   0.218  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.997  -0.552  -0.439  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.348   0.286  -0.300  1.00  0.00           N  
HETATM   28  N   UNL     1       3.327   0.204  -0.335  1.00  0.00           N  
HETATM   29  N   UNL     1       4.782   2.406   2.290  1.00  0.00           N  
HETATM   30  N   UNL     1      -5.366   0.757  -0.684  1.00  0.00           N  
HETATM   31  O   UNL     1      -6.184   0.183  -2.720  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.523   1.107  -0.106  1.00  0.00           O  
HETATM   33  O   UNL     1       3.000   2.069   0.926  1.00  0.00           O  
HETATM   34  O   UNL     1       3.695  -1.311  -2.773  1.00  0.00           O  
HETATM   35  O   UNL     1       1.753   0.227  -1.898  1.00  0.00           O  
HETATM   36  O   UNL     1      -1.226   0.814   1.670  1.00  0.00           O  
HETATM   37  H   UNL     1       1.130   0.662   1.140  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.884   2.481  -3.295  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.287   3.034  -2.329  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.381   2.758  -1.495  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.611   3.940  -0.939  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.555   2.429   0.589  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.217   2.464   1.318  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.830   0.802   1.491  1.00  0.00           H  
HETATM   45  H   UNL     1       0.046  -1.635   1.410  1.00  0.00           H  
HETATM   46  H   UNL     1       0.964  -2.147  -0.026  1.00  0.00           H  
HETATM   47  H   UNL     1       3.076  -1.414   1.138  1.00  0.00           H  
HETATM   48  H   UNL     1       1.197  -1.138   3.526  1.00  0.00           H  
HETATM   49  H   UNL     1       2.970  -0.991   3.570  1.00  0.00           H  
HETATM   50  H   UNL     1       1.999   0.210   2.684  1.00  0.00           H  
HETATM   51  H   UNL     1       2.334  -3.780   1.176  1.00  0.00           H  
HETATM   52  H   UNL     1       3.141  -3.339   2.700  1.00  0.00           H  
HETATM   53  H   UNL     1       1.366  -3.453   2.633  1.00  0.00           H  
HETATM   54  H   UNL     1       3.992   1.199  -2.058  1.00  0.00           H  
HETATM   55  H   UNL     1       5.911   0.442   0.191  1.00  0.00           H  
HETATM   56  H   UNL     1       6.395   1.242  -1.324  1.00  0.00           H  
HETATM   57  H   UNL     1       4.800   3.118  -0.793  1.00  0.00           H  
HETATM   58  H   UNL     1       6.784   1.744   2.327  1.00  0.00           H  
HETATM   59  H   UNL     1       6.538   3.442   2.830  1.00  0.00           H  
HETATM   60  H   UNL     1       7.346   2.738   0.271  1.00  0.00           H  
HETATM   61  H   UNL     1       6.365   4.205   0.604  1.00  0.00           H  
HETATM   62  H   UNL     1       5.633  -0.599  -2.682  1.00  0.00           H  
HETATM   63  S   UNL     1       5.290  -2.024  -0.771  1.00  0.00           S  
HETATM   64  H   UNL     1      -4.765  -0.653   0.747  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.448  -1.337  -0.747  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.036   0.262   1.309  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.924  -2.742   0.778  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.274  -1.917   2.215  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.517  -2.869   2.674  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.546  -1.092   2.769  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.386  -2.759   0.354  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.490  -1.946   1.489  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.148  -0.581  -0.552  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.498   0.244   0.885  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.905   0.371  -1.011  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.876  -1.406  -1.106  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.478   0.162  -1.254  1.00  0.00           H  
HETATM   78  H   UNL     1       3.563   0.052   0.594  1.00  0.00           H  
HETATM   79  H   UNL     1       4.323   2.334   3.141  1.00  0.00           H  
HETATM   80  H   UNL     1       2.912  -1.513  -2.243  1.00  0.00           H  
HETATM   81  O   UNL     1       6.497  -1.626  -0.134  1.00  0.00           O  
HETATM   82  O   UNL     1       4.166  -2.447  -0.012  1.00  0.00           O  
HETATM   83  O   UNL     1       5.680  -3.252  -1.580  1.00  0.00           O  
HETATM   84  H   UNL     1       5.972  -4.001  -1.043  1.00  0.00           H  
CONECT    1    8   12   27   37                                       
CONECT    2   30    3   31   31                                       
CONECT    3    4    2   38   39                                       
CONECT    4    5    3   40   41                                       
CONECT    5    6   30    4   42                                       
CONECT    6   32    5   43   44                                       
CONECT    7   27   32   36   36                                       
CONECT    8    9    1   45   46                                       
CONECT    9   11    8   10   47                                       
CONECT   10    9   48   49   50                                       
CONECT   11    9   51   52   53                                       
CONECT   12   35   35    1   28                                       
CONECT   13   19   28   14   54                                       
CONECT   14   13   15   55   56                                       
CONECT   15   18   14   16   57                                       
CONECT   16   15   29   33   33                                       
CONECT   17   18   29   58   59                                       
CONECT   18   17   15   60   61                                       
CONECT   19   34   13   62   63                                       
CONECT   20   21   30   64   65                                       
CONECT   21   26   22   20   66                                       
CONECT   22   23   21   67   68                                       
CONECT   23   24   22   69   70                                       
CONECT   24   25   23   71   72                                       
CONECT   25   24   26   73   74                                       
CONECT   26   25   21   75   76                                       
CONECT   27    1    7   77                                            
CONECT   28   12   13   78                                            
CONECT   29   17   16   79                                            
CONECT   30   20    5    2                                            
CONECT   31    2    2                                                 
CONECT   32    6    7                                                 
CONECT   33   16   16                                                 
CONECT   34   19   80                                                 
CONECT   35   12   12                                                 
CONECT   36    7    7                                                 
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19   81   81   82                                       
CONECT   63   82   83                                                 
CONECT   64   20                                                      
CONECT   65   20                                                      
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   27                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   34                                                      
CONECT   81   63   63                                                 
CONECT   82   63   63                                                 
CONECT   83   63   84                                                 
CONECT   84   83                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
