COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  N   UNL     1       3.732  -1.327   0.002  1.00  0.00           N  
HETATM    2  C   UNL     1       3.230  -0.194  -0.528  1.00  0.00           C  
HETATM    3  O   UNL     1       3.489   0.107  -1.678  1.00  0.00           O  
HETATM    4  O   UNL     1      -3.616  -0.864   1.399  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.608  -0.751   0.187  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.253  -1.654  -0.578  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.245  -1.517  -2.036  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.964  -2.771   0.049  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.388  -2.366   0.331  1.00  0.00           C  
HETATM   10  N   UNL     1      -6.836  -1.711   1.407  1.00  0.00           N  
HETATM   11  N   UNL     1      -8.106  -1.544   1.294  1.00  0.00           N  
HETATM   12  N   UNL     1      -8.526  -2.059   0.191  1.00  0.00           N  
HETATM   13  C   UNL     1      -9.912  -2.063  -0.282  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.813  -2.688   0.785  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.464  -2.589  -0.459  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.897   0.367  -0.440  1.00  0.00           C  
HETATM   17  S   UNL     1      -2.620   0.549  -2.166  1.00  0.00           S  
HETATM   18  C   UNL     1      -1.789   2.021  -1.934  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.197   2.853  -3.042  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.355   1.424   0.226  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.734   2.342  -0.610  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.074   3.563  -0.109  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.646   4.957  -0.220  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.448   5.899   0.037  1.00  0.00           C  
HETATM   25  C   UNL     1       0.483   5.005   0.886  1.00  0.00           C  
HETATM   26  C   UNL     1       0.111   3.589   0.512  1.00  0.00           C  
HETATM   27  C   UNL     1       0.939   2.400   0.791  1.00  0.00           C  
HETATM   28  C   UNL     1       1.676   1.749  -0.188  1.00  0.00           C  
HETATM   29  C   UNL     1       1.051   1.851   2.034  1.00  0.00           C  
HETATM   30  C   UNL     1       0.357   2.373   3.266  1.00  0.00           C  
HETATM   31  S   UNL     1       2.082   0.493   2.005  1.00  0.00           S  
HETATM   32  C   UNL     1       2.370   0.676   0.281  1.00  0.00           C  
HETATM   33  C   UNL     1       3.421  -1.688   1.387  1.00  0.00           C  
HETATM   34  C   UNL     1       4.584  -2.200  -0.810  1.00  0.00           C  
HETATM   35  C   UNL     1       6.024  -1.786  -0.650  1.00  0.00           C  
HETATM   36  N   UNL     1       6.661  -0.828  -1.333  1.00  0.00           N  
HETATM   37  N   UNL     1       7.878  -0.763  -0.921  1.00  0.00           N  
HETATM   38  N   UNL     1       8.081  -1.634   0.005  1.00  0.00           N  
HETATM   39  C   UNL     1       6.925  -2.305   0.216  1.00  0.00           C  
HETATM   40  C   UNL     1       9.343  -1.854   0.716  1.00  0.00           C  
HETATM   41  C   UNL     1      10.456  -2.134  -0.296  1.00  0.00           C  
HETATM   42  C   UNL     1      11.774  -2.364   0.446  1.00  0.00           C  
HETATM   43  H   UNL     1      -3.329  -1.953  -2.437  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.107  -2.036  -2.455  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.291  -0.461  -2.303  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.956  -3.629  -0.623  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.470  -3.037   0.984  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.233  -1.039  -0.474  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.981  -2.644  -1.201  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.492  -3.711   0.978  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.745  -2.106   1.705  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.845  -2.691   0.434  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.475  -3.095  -1.413  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.383   2.368  -4.000  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.656   3.842  -3.039  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.122   2.952  -2.888  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.402   1.537   1.299  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.051   5.123  -1.218  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.418   5.112   0.534  1.00  0.00           H  
HETATM   60  H   UNL     1       0.032   6.184  -0.900  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.759   6.781   0.598  1.00  0.00           H  
HETATM   62  H   UNL     1       1.527   5.202   0.639  1.00  0.00           H  
HETATM   63  H   UNL     1       0.307   5.174   1.948  1.00  0.00           H  
HETATM   64  H   UNL     1       1.697   2.063  -1.222  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.616   1.891   3.366  1.00  0.00           H  
HETATM   66  H   UNL     1       0.963   2.154   4.145  1.00  0.00           H  
HETATM   67  H   UNL     1       0.220   3.450   3.177  1.00  0.00           H  
HETATM   68  H   UNL     1       4.114  -1.182   2.059  1.00  0.00           H  
HETATM   69  H   UNL     1       2.401  -1.385   1.621  1.00  0.00           H  
HETATM   70  H   UNL     1       3.517  -2.767   1.511  1.00  0.00           H  
HETATM   71  H   UNL     1       4.464  -3.232  -0.481  1.00  0.00           H  
HETATM   72  H   UNL     1       4.295  -2.117  -1.858  1.00  0.00           H  
HETATM   73  H   UNL     1       6.757  -3.101   0.927  1.00  0.00           H  
HETATM   74  H   UNL     1       9.593  -0.965   1.295  1.00  0.00           H  
HETATM   75  H   UNL     1       9.238  -2.707   1.386  1.00  0.00           H  
HETATM   76  H   UNL     1      10.205  -3.023  -0.876  1.00  0.00           H  
HETATM   77  H   UNL     1      10.560  -1.281  -0.967  1.00  0.00           H  
HETATM   78  H   UNL     1      12.024  -1.475   1.025  1.00  0.00           H  
HETATM   79  H   UNL     1      11.670  -3.217   1.116  1.00  0.00           H  
HETATM   80  H   UNL     1      12.567  -2.563  -0.275  1.00  0.00           H  
CONECT    1   33   34    2                                            
CONECT    2    1    3    3   32                                       
CONECT    3    2    2                                                 
CONECT    4    5    5                                                 
CONECT    5    4    4    6   16                                       
CONECT    6    8    5    7                                            
CONECT    7    6   43   44   45                                       
CONECT    8    9    6   46   47                                       
CONECT    9   15   15   10    8                                       
CONECT   10   11   11    9                                            
CONECT   11   12   10   10                                            
CONECT   12   13   11   15                                            
CONECT   13   14   12   48   49                                       
CONECT   14   13   50   51   52                                       
CONECT   15   12    9    9   53                                       
CONECT   16    5   17   20   20                                       
CONECT   17   16   18                                                 
CONECT   18   17   21   21   19                                       
CONECT   19   18   54   55   56                                       
CONECT   20   16   16   21   57                                       
CONECT   21   20   18   18   22                                       
CONECT   22   21   23   26   26                                       
CONECT   23   22   24   58   59                                       
CONECT   24   23   25   60   61                                       
CONECT   25   26   24   62   63                                       
CONECT   26   22   22   27   25                                       
CONECT   27   28   26   29   29                                       
CONECT   28   32   32   27   64                                       
CONECT   29   27   27   31   30                                       
CONECT   30   29   65   66   67                                       
CONECT   31   32   29                                                 
CONECT   32    2   28   28   31                                       
CONECT   33    1   68   69   70                                       
CONECT   34   35    1   71   72                                       
CONECT   35   39   39   36   34                                       
CONECT   36   37   37   35                                            
CONECT   37   38   36   36                                            
CONECT   38   40   39   37                                            
CONECT   39   38   35   35   73                                       
CONECT   40   41   38   74   75                                       
CONECT   41   42   40   76   77                                       
CONECT   42   41   78   79   80                                       
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   28                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
