COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  B   UNL     1       3.789   4.983  -0.536  1.00  0.00           B  
HETATM    2  C   UNL     1       3.235  -1.913   2.151  1.00  0.00           C  
HETATM    3  C   UNL     1       1.887  -1.900   0.002  1.00  0.00           C  
HETATM    4  C   UNL     1       0.862  -0.830   0.382  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.477  -1.145  -0.288  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.793  -0.526   0.146  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.109  -0.079   0.512  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.521  -0.731   1.844  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.202   0.796   1.358  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.048   1.138   0.365  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.386   2.361   1.037  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.454   2.893   2.011  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.325  -1.038  -1.806  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.608  -1.466  -2.471  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.594  -0.534  -2.736  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.770  -0.927  -3.345  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.961  -2.252  -3.690  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.975  -3.184  -3.425  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.796  -2.790  -2.821  1.00  0.00           C  
HETATM   20  C   UNL     1       4.264   0.680  -0.231  1.00  0.00           C  
HETATM   21  C   UNL     1       4.727   1.498   0.784  1.00  0.00           C  
HETATM   22  C   UNL     1       4.580   2.866   0.694  1.00  0.00           C  
HETATM   23  C   UNL     1       3.961   3.426  -0.426  1.00  0.00           C  
HETATM   24  C   UNL     1       3.496   2.595  -1.447  1.00  0.00           C  
HETATM   25  C   UNL     1       3.655   1.228  -1.346  1.00  0.00           C  
HETATM   26  C   UNL     1       3.572  -3.388   2.379  1.00  0.00           C  
HETATM   27  C   UNL     1       4.966  -3.684   1.823  1.00  0.00           C  
HETATM   28  C   UNL     1       3.545  -3.691   3.878  1.00  0.00           C  
HETATM   29  N   UNL     1       3.143  -1.649   0.713  1.00  0.00           N  
HETATM   30  N   UNL     1      -1.489  -0.189   0.170  1.00  0.00           N  
HETATM   31  O   UNL     1      -3.131  -1.622  -0.256  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.723   0.352   0.567  1.00  0.00           O  
HETATM   33  O   UNL     1      -6.543   0.093   2.427  1.00  0.00           O  
HETATM   34  O   UNL     1      -7.628   2.083   1.844  1.00  0.00           O  
HETATM   35  O   UNL     1       1.324   0.450  -0.055  1.00  0.00           O  
HETATM   36  O   UNL     1       4.362  -1.576  -1.431  1.00  0.00           O  
HETATM   37  O   UNL     1       5.584  -1.288   0.730  1.00  0.00           O  
HETATM   38  O   UNL     1       3.159   5.548  -1.676  1.00  0.00           O  
HETATM   39  O   UNL     1       4.208   5.735   0.397  1.00  0.00           O  
HETATM   40  S   UNL     1       4.458  -1.067  -0.108  1.00  0.00           S  
HETATM   41  H   UNL     1       2.281  -1.680   2.625  1.00  0.00           H  
HETATM   42  H   UNL     1       4.017  -1.290   2.586  1.00  0.00           H  
HETATM   43  H   UNL     1       1.504  -2.883   0.276  1.00  0.00           H  
HETATM   44  H   UNL     1       2.065  -1.866  -1.073  1.00  0.00           H  
HETATM   45  H   UNL     1       0.733  -0.819   1.465  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.786  -2.156  -0.024  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.258  -0.775  -0.314  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.912  -1.732   1.661  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.661  -0.785   2.512  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.004   0.217   0.899  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.381   1.313  -0.658  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.492   2.058   1.582  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.141   3.118   0.292  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.093   2.814   3.036  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.685   3.932   1.776  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.102  -0.005  -2.077  1.00  0.00           H  
HETATM   57  H   UNL     1       0.489  -1.683  -2.136  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.445   0.501  -2.467  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.541  -0.199  -3.552  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.881  -2.560  -4.165  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.125  -4.220  -3.694  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.026  -3.518  -2.614  1.00  0.00           H  
HETATM   63  H   UNL     1       5.205   1.063   1.650  1.00  0.00           H  
HETATM   64  H   UNL     1       4.941   3.503   1.488  1.00  0.00           H  
HETATM   65  H   UNL     1       3.020   3.022  -2.318  1.00  0.00           H  
HETATM   66  H   UNL     1       3.296   0.584  -2.135  1.00  0.00           H  
HETATM   67  H   UNL     1       2.837  -4.011   1.869  1.00  0.00           H  
HETATM   68  H   UNL     1       5.206  -4.735   1.985  1.00  0.00           H  
HETATM   69  H   UNL     1       4.984  -3.468   0.755  1.00  0.00           H  
HETATM   70  H   UNL     1       5.700  -3.061   2.333  1.00  0.00           H  
HETATM   71  H   UNL     1       2.552  -3.480   4.275  1.00  0.00           H  
HETATM   72  H   UNL     1       3.785  -4.742   4.040  1.00  0.00           H  
HETATM   73  H   UNL     1       4.280  -3.068   4.388  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.220   0.686   0.492  1.00  0.00           H  
HETATM   75  H   UNL     1       1.396   0.535  -1.016  1.00  0.00           H  
HETATM   76  H   UNL     1       3.076   6.511  -1.699  1.00  0.00           H  
CONECT    1   39   39   23   38                                       
CONECT    2   29   26   41   42                                       
CONECT    3   29    4   43   44                                       
CONECT    4    5    3   35   45                                       
CONECT    5   13   30    4   46                                       
CONECT    6   30   31   31   32                                       
CONECT    7   10   32    8   47                                       
CONECT    8    7   33   48   49                                       
CONECT    9   10   34   33   50                                       
CONECT   10   11    9    7   51                                       
CONECT   11   12   10   52   53                                       
CONECT   12   11   34   54   55                                       
CONECT   13   14    5   56   57                                       
CONECT   14   15   15   19   13                                       
CONECT   15   16   14   14   58                                       
CONECT   16   17   17   15   59                                       
CONECT   17   16   16   18   60                                       
CONECT   18   17   19   19   61                                       
CONECT   19   18   18   14   62                                       
CONECT   20   25   21   21   40                                       
CONECT   21   20   20   22   63                                       
CONECT   22   23   23   21   64                                       
CONECT   23   24    1   22   22                                       
CONECT   24   25   25   23   65                                       
CONECT   25   24   24   20   66                                       
CONECT   26    2   27   28   67                                       
CONECT   27   26   68   69   70                                       
CONECT   28   26   71   72   73                                       
CONECT   29   40    3    2                                            
CONECT   30    5    6   74                                            
CONECT   31    6    6                                                 
CONECT   32    6    7                                                 
CONECT   33    9    8                                                 
CONECT   34   12    9                                                 
CONECT   35    4   75                                                 
CONECT   36   40   40                                                 
CONECT   37   40   40                                                 
CONECT   38    1   76                                                 
CONECT   39    1    1                                                 
CONECT   40   36   36   20   37                                       
CONECT   40   37   29                                                 
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   30                                                      
CONECT   75   35                                                      
CONECT   76   38                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
