COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.639   3.977  -0.827  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.842   0.414  -0.440  1.00  0.00           C  
HETATM    3  C   UNL     1       0.607  -4.425   0.440  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.884   1.567   0.566  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.194   2.300   0.435  1.00  0.00           C  
HETATM    6  C   UNL     1       4.740   2.774  -0.709  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.598   3.645   0.194  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.509   4.034  -0.564  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.486   2.580   1.069  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.308   3.361  -0.444  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.284   1.908   1.189  1.00  0.00           C  
HETATM   12  C   UNL     1       0.632   1.878  -0.643  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.665   1.418  -0.575  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.474  -1.635  -0.089  1.00  0.00           C  
HETATM   15  C   UNL     1       1.457  -0.354  -0.273  1.00  0.00           C  
HETATM   16  C   UNL     1       1.066  -2.988   0.188  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.375   0.297  -0.405  1.00  0.00           N  
HETATM   18  C   UNL     1      -4.531  -0.319  -0.309  1.00  0.00           C  
HETATM   19  C   UNL     1       1.696   0.996  -0.493  1.00  0.00           C  
HETATM   20  C   UNL     1       0.159  -0.824  -0.192  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.914   0.064  -0.348  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.303  -0.432  -0.274  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.076  -2.142   0.039  1.00  0.00           O  
HETATM   24  S   UNL     1      -2.778  -2.105   0.007  1.00  0.00           S  
HETATM   25  N   UNL     1       3.012   1.470  -0.563  1.00  0.00           N  
HETATM   26  N   UNL     1       5.122   1.496  -0.610  1.00  0.00           N  
HETATM   27  C   UNL     1       6.635   3.985   0.334  1.00  0.00           C  
HETATM   28  N   UNL     1       9.420   6.389   1.261  1.00  0.00           N  
HETATM   29  C   UNL     1       7.548   5.207   0.214  1.00  0.00           C  
HETATM   30  C   UNL     1       8.544   5.215   1.376  1.00  0.00           C  
HETATM   31  C   UNL     1       1.829  -5.331   0.600  1.00  0.00           C  
HETATM   32  C   UNL     1       1.374  -6.744   0.975  1.00  0.00           C  
HETATM   33  C   UNL     1       2.597  -7.659   1.073  1.00  0.00           C  
HETATM   34  C   UNL     1       2.601  -5.386  -0.721  1.00  0.00           C  
HETATM   35  C   UNL     1       3.788  -6.340  -0.574  1.00  0.00           C  
HETATM   36  C   UNL     1       3.386   2.774  -0.677  1.00  0.00           C  
HETATM   37  N   UNL     1       4.078   0.750  -0.527  1.00  0.00           N  
HETATM   38  N   UNL     1       3.300  -7.678  -0.215  1.00  0.00           N  
HETATM   39  H   UNL     1       6.182   3.934  -1.771  1.00  0.00           H  
HETATM   40  H   UNL     1       5.037   4.885  -0.796  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.664  -0.273  -0.240  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.937   0.811  -1.451  1.00  0.00           H  
HETATM   43  H   UNL     1       0.007  -4.461   1.349  1.00  0.00           H  
HETATM   44  H   UNL     1       0.008  -4.768  -0.404  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.788   1.171   1.577  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.062   2.254   0.366  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.537   4.170   0.101  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.598   4.863  -1.250  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.336   2.276   1.662  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.457   3.665  -1.036  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.196   1.076   1.872  1.00  0.00           H  
HETATM   52  H   UNL     1       0.823   2.927  -0.818  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.489   2.106  -0.696  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.321  -2.297   0.017  1.00  0.00           H  
HETATM   55  H   UNL     1       2.287  -1.036  -0.153  1.00  0.00           H  
HETATM   56  H   UNL     1       1.665  -2.644   1.032  1.00  0.00           H  
HETATM   57  H   UNL     1       1.666  -2.952  -0.721  1.00  0.00           H  
HETATM   58  H   UNL     1       6.092   4.029   1.278  1.00  0.00           H  
HETATM   59  H   UNL     1       7.237   3.077   0.303  1.00  0.00           H  
HETATM   60  H   UNL     1       8.881   7.240   1.223  1.00  0.00           H  
HETATM   61  H   UNL     1      10.088   6.417   2.017  1.00  0.00           H  
HETATM   62  H   UNL     1       8.091   5.164  -0.730  1.00  0.00           H  
HETATM   63  H   UNL     1       6.946   6.115   0.246  1.00  0.00           H  
HETATM   64  H   UNL     1       9.146   4.307   1.344  1.00  0.00           H  
HETATM   65  H   UNL     1       8.001   5.259   2.320  1.00  0.00           H  
HETATM   66  H   UNL     1       2.475  -4.936   1.384  1.00  0.00           H  
HETATM   67  H   UNL     1       0.861  -6.718   1.936  1.00  0.00           H  
HETATM   68  H   UNL     1       0.696  -7.123   0.210  1.00  0.00           H  
HETATM   69  H   UNL     1       3.267  -7.287   1.848  1.00  0.00           H  
HETATM   70  H   UNL     1       2.275  -8.669   1.326  1.00  0.00           H  
HETATM   71  H   UNL     1       1.943  -5.743  -1.513  1.00  0.00           H  
HETATM   72  H   UNL     1       2.965  -4.389  -0.972  1.00  0.00           H  
HETATM   73  H   UNL     1       4.332  -6.393  -1.517  1.00  0.00           H  
HETATM   74  H   UNL     1       4.453  -5.975   0.209  1.00  0.00           H  
HETATM   75  H   UNL     1       2.736   3.635  -0.731  1.00  0.00           H  
HETATM   76  H   UNL     1       2.712  -8.056  -0.943  1.00  0.00           H  
CONECT    1   27    6   39   40                                       
CONECT    2   18    4   41   42                                       
CONECT    3   16   31   43   44                                       
CONECT    4    5    2   45   46                                       
CONECT    5   10    4   11   11                                       
CONECT    6    1   26   36   36                                       
CONECT    7    8    9    9   47                                       
CONECT    8   10   10    7   48                                       
CONECT    9    7    7   11   49                                       
CONECT   10    8    8    5   50                                       
CONECT   11    5    5    9   51                                       
CONECT   12   19   19   13   52                                       
CONECT   13   12   21   21   53                                       
CONECT   14   24   18   18   54                                       
CONECT   15   19   20   20   55                                       
CONECT   16   23    3   56   57                                       
CONECT   17   22   22   18                                            
CONECT   18   17    2   14   14                                       
CONECT   19   25   12   12   15                                       
CONECT   20   15   15   21   23                                       
CONECT   21   13   13   20   22                                       
CONECT   22   21   17   17   24                                       
CONECT   23   20   16                                                 
CONECT   24   22   14                                                 
CONECT   25   37   36   19                                            
CONECT   26    6   37   37                                            
CONECT   27   29    1   58   59                                       
CONECT   28   30   60   61                                            
CONECT   29   30   27   62   63                                       
CONECT   30   28   29   64   65                                       
CONECT   31    3   34   32   66                                       
CONECT   32   31   33   67   68                                       
CONECT   33   32   38   69   70                                       
CONECT   34   31   35   71   72                                       
CONECT   35   34   38   73   74                                       
CONECT   36    6    6   25   75                                       
CONECT   37   26   26   25                                            
CONECT   38   35   33   76                                            
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   38                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
