COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.113   0.078   0.934  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.316   0.191   1.090  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.604   1.587   1.645  1.00  0.00           C  
HETATM    4  C   UNL     1       0.489   1.975   2.643  1.00  0.00           C  
HETATM    5  C   UNL     1       0.271   3.418   3.103  1.00  0.00           C  
HETATM    6  C   UNL     1       0.431   1.040   3.852  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.455  -0.242   0.203  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.827  -0.644  -0.182  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.244  -2.105   0.003  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.122  -3.021  -0.488  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.063  -3.181   0.580  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.451  -5.312  -0.257  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.654  -4.455  -0.713  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.006   0.270   0.160  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.557   1.708   0.110  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.633   3.619  -1.085  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.648   4.317  -2.447  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.317   3.924  -1.803  1.00  0.00           C  
HETATM   19  C   UNL     1       4.495  -0.061   0.954  1.00  0.00           C  
HETATM   20  C   UNL     1       5.674  -0.010  -0.020  1.00  0.00           C  
HETATM   21  C   UNL     1       5.539  -1.138  -1.044  1.00  0.00           C  
HETATM   22  C   UNL     1       5.680   1.338  -0.744  1.00  0.00           C  
HETATM   23  C   UNL     1       8.450  -0.113  -0.365  1.00  0.00           C  
HETATM   24  C   UNL     1       8.069   0.050  -1.692  1.00  0.00           C  
HETATM   25  C   UNL     1       9.031   0.131  -2.679  1.00  0.00           C  
HETATM   26  C   UNL     1      10.372   0.049  -2.349  1.00  0.00           C  
HETATM   27  C   UNL     1      10.754  -0.112  -1.030  1.00  0.00           C  
HETATM   28  C   UNL     1       9.798  -0.194  -0.037  1.00  0.00           C  
HETATM   29  N   UNL     1       0.925   0.220   0.313  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.701  -0.342   0.705  1.00  0.00           N  
HETATM   31  N   UNL     1      -1.710  -4.474   0.692  1.00  0.00           N  
HETATM   32  N   UNL     1      -4.069   2.222  -1.036  1.00  0.00           N  
HETATM   33  O   UNL     1       2.154  -0.076   2.139  1.00  0.00           O  
HETATM   34  O   UNL     1      -1.599  -2.275   1.240  1.00  0.00           O  
HETATM   35  O   UNL     1      -5.480  -0.036   1.473  1.00  0.00           O  
HETATM   36  O   UNL     1      -4.636   2.403   1.101  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.249  -0.500  -0.965  1.00  0.00           O  
HETATM   38  O   UNL     1       3.253   0.099   0.219  1.00  0.00           O  
HETATM   39  S   UNL     1       7.226  -0.209   0.899  1.00  0.00           S  
HETATM   40  H   UNL     1      -0.212  -0.513   1.916  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.621   2.307   0.826  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.571   1.587   2.148  1.00  0.00           H  
HETATM   43  H   UNL     1       1.464   1.890   2.164  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.705   3.503   3.582  1.00  0.00           H  
HETATM   45  H   UNL     1       1.049   3.694   3.814  1.00  0.00           H  
HETATM   46  H   UNL     1       0.312   4.084   2.241  1.00  0.00           H  
HETATM   47  H   UNL     1       0.586   0.012   3.524  1.00  0.00           H  
HETATM   48  H   UNL     1       1.210   1.316   4.563  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.545   1.125   4.331  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.528  -0.479  -1.217  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.435  -2.297   1.059  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.149  -2.299  -0.572  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.684  -2.628  -1.406  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.800  -6.220   0.234  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.822  -5.564  -1.111  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.528  -4.649  -0.092  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.879  -4.628  -1.765  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.880   4.220  -0.209  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.983   3.736  -3.306  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.905   5.376  -2.467  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.698   4.726  -1.400  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.775   3.085  -2.239  1.00  0.00           H  
HETATM   63  H   UNL     1       4.491  -1.021   1.470  1.00  0.00           H  
HETATM   64  H   UNL     1       4.591   0.743   1.684  1.00  0.00           H  
HETATM   65  H   UNL     1       4.735  -0.902  -1.741  1.00  0.00           H  
HETATM   66  H   UNL     1       6.475  -1.247  -1.591  1.00  0.00           H  
HETATM   67  H   UNL     1       5.309  -2.071  -0.528  1.00  0.00           H  
HETATM   68  H   UNL     1       5.743   2.143  -0.012  1.00  0.00           H  
HETATM   69  H   UNL     1       6.539   1.387  -1.413  1.00  0.00           H  
HETATM   70  H   UNL     1       4.762   1.444  -1.322  1.00  0.00           H  
HETATM   71  H   UNL     1       7.023   0.112  -1.951  1.00  0.00           H  
HETATM   72  H   UNL     1       8.737   0.257  -3.711  1.00  0.00           H  
HETATM   73  H   UNL     1      11.122   0.112  -3.123  1.00  0.00           H  
HETATM   74  H   UNL     1      11.802  -0.176  -0.776  1.00  0.00           H  
HETATM   75  H   UNL     1      10.097  -0.320   0.993  1.00  0.00           H  
HETATM   76  H   UNL     1       0.892   0.343  -0.649  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.853  -0.213   1.655  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.051  -4.809   1.320  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.006   1.666  -1.829  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.817   0.081   2.168  1.00  0.00           H  
HETATM   81  S   UNL     1      -6.340   0.010  -1.041  1.00  0.00           S  
HETATM   82  O   UNL     1      -5.704   0.318  -2.388  1.00  0.00           O  
HETATM   83  O   UNL     1      -6.679  -1.368  -1.120  1.00  0.00           O  
HETATM   84  O   UNL     1      -7.345   1.004  -0.892  1.00  0.00           O  
HETATM   85  H   UNL     1      -6.306   0.221  -3.139  1.00  0.00           H  
CONECT    1   33   33   38   29                                       
CONECT    2   29    7    3   40                                       
CONECT    3    2    4   41   42                                       
CONECT    4    6    3    5   43                                       
CONECT    5    4   44   45   46                                       
CONECT    6    4   47   48   49                                       
CONECT    7    2   30   37   37                                       
CONECT    8    9   30   14   50                                       
CONECT    9   10    8   51   52                                       
CONECT   10   11    9   13   53                                       
CONECT   11   34   34   31   10                                       
CONECT   12   31   13   54   55                                       
CONECT   13   10   12   56   57                                       
CONECT   14    8   35   15   81                                       
CONECT   15   14   36   36   32                                       
CONECT   16   32   17   18   58                                       
CONECT   17   16   18   59   60                                       
CONECT   18   16   17   61   62                                       
CONECT   19   20   38   63   64                                       
CONECT   20   39   22   19   21                                       
CONECT   21   20   65   66   67                                       
CONECT   22   20   68   69   70                                       
CONECT   23   39   24   24   28                                       
CONECT   24   23   23   25   71                                       
CONECT   25   24   26   26   72                                       
CONECT   26   25   25   27   73                                       
CONECT   27   28   28   26   74                                       
CONECT   28   23   27   27   75                                       
CONECT   29    1    2   76                                            
CONECT   30    7    8   77                                            
CONECT   31   11   12   78                                            
CONECT   32   15   16   79                                            
CONECT   33    1    1                                                 
CONECT   34   11   11                                                 
CONECT   35   14   80                                                 
CONECT   36   15   15                                                 
CONECT   37    7    7                                                 
CONECT   38   19    1                                                 
CONECT   39   23   20                                                 
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   35                                                      
CONECT   81   14   82   83   83                                       
CONECT   81   84   84                                                 
CONECT   82   81   85                                                 
CONECT   83   81   81                                                 
CONECT   84   81   81                                                 
CONECT   85   82                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
