COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.441   0.124  -3.484  1.00  0.00           C  
HETATM    2  C   UNL     1       2.394   1.383  -2.895  1.00  0.00           C  
HETATM    3  C   UNL     1       2.963   1.603  -1.657  1.00  0.00           C  
HETATM    4  C   UNL     1       3.589   0.564  -0.983  1.00  0.00           C  
HETATM    5  C   UNL     1       3.632  -0.710  -1.572  1.00  0.00           C  
HETATM    6  C   UNL     1       3.059  -0.925  -2.827  1.00  0.00           C  
HETATM    7  O   UNL     1       4.152   0.786   0.229  1.00  0.00           O  
HETATM    8  C   UNL     1       4.346  -0.322   1.106  1.00  0.00           C  
HETATM    9  C   UNL     1       5.113  -1.429   0.369  1.00  0.00           C  
HETATM   10  C   UNL     1       4.287  -1.813  -0.846  1.00  0.00           C  
HETATM   11  C   UNL     1       2.990  -0.863   1.561  1.00  0.00           C  
HETATM   12  N   UNL     1       2.265   0.183   2.294  1.00  0.00           N  
HETATM   13  C   UNL     1       2.997   0.591   3.500  1.00  0.00           C  
HETATM   14  C   UNL     1       4.353   1.177   3.101  1.00  0.00           C  
HETATM   15  C   UNL     1       5.152   0.123   2.329  1.00  0.00           C  
HETATM   16  O   UNL     1       1.875  -0.077  -4.703  1.00  0.00           O  
HETATM   17  O   UNL     1       4.172  -2.967  -1.201  1.00  0.00           O  
HETATM   18  C   UNL     1       0.903  -0.255   2.628  1.00  0.00           C  
HETATM   19  C   UNL     1       0.027  -0.197   1.375  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.062   1.154   0.918  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.373  -0.716   1.707  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.189  -0.734   0.490  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.820  -1.607  -0.627  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.156  -3.057  -0.274  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.983   1.821  -0.152  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.850   2.092  -1.502  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.421   3.339  -1.917  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.125   4.314  -0.984  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.258   4.044   0.365  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.693   2.799   0.780  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.838   2.504   2.251  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.172   1.028  -2.519  1.00  0.00           C  
HETATM   33  S   UNL     1      -3.529   0.232   0.378  1.00  0.00           S  
HETATM   34  O   UNL     1      -4.317  -0.295  -0.681  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.017   0.397   1.702  1.00  0.00           O  
HETATM   36  O   UNL     1      -3.571  -3.198  -0.136  1.00  0.00           O  
HETATM   37  C   UNL     1      -5.519  -4.555   0.316  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.994  -4.522   0.195  1.00  0.00           C  
HETATM   39  H   UNL     1       1.908   2.197  -3.413  1.00  0.00           H  
HETATM   40  H   UNL     1       2.920   2.586  -1.211  1.00  0.00           H  
HETATM   41  H   UNL     1       3.098  -1.903  -3.282  1.00  0.00           H  
HETATM   42  H   UNL     1       6.088  -1.058   0.053  1.00  0.00           H  
HETATM   43  H   UNL     1       5.238  -2.293   1.022  1.00  0.00           H  
HETATM   44  H   UNL     1       2.408  -1.166   0.690  1.00  0.00           H  
HETATM   45  H   UNL     1       3.142  -1.724   2.213  1.00  0.00           H  
HETATM   46  H   UNL     1       2.420   1.343   4.038  1.00  0.00           H  
HETATM   47  H   UNL     1       3.151  -0.276   4.142  1.00  0.00           H  
HETATM   48  H   UNL     1       4.200   2.052   2.470  1.00  0.00           H  
HETATM   49  H   UNL     1       4.903   1.466   3.997  1.00  0.00           H  
HETATM   50  H   UNL     1       5.341  -0.735   2.973  1.00  0.00           H  
HETATM   51  H   UNL     1       6.100   0.551   2.004  1.00  0.00           H  
HETATM   52  H   UNL     1       2.476   0.076  -5.446  1.00  0.00           H  
HETATM   53  H   UNL     1       0.932  -1.278   3.003  1.00  0.00           H  
HETATM   54  H   UNL     1       0.488   0.401   3.392  1.00  0.00           H  
HETATM   55  H   UNL     1       0.468  -0.816   0.594  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.413   1.770   1.577  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.300  -1.727   2.110  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.837  -0.063   2.446  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.374  -1.312  -1.517  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.750  -1.518  -0.818  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.801  -3.716  -1.066  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.671  -3.325   0.665  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.317   3.550  -2.971  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.789   5.288  -1.309  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.026   4.806   1.094  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.862   2.707   2.563  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.602   1.456   2.437  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.153   3.136   2.818  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.243   1.033  -2.723  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.625   1.229  -3.440  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.882   0.052  -2.129  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.966  -4.258  -0.633  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.842  -5.565   0.568  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.837  -3.866   1.099  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.677  -5.211  -0.588  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.548  -4.820   1.143  1.00  0.00           H  
CONECT    1   16    2    2    6                                       
CONECT    2    1    1    3   39                                       
CONECT    3    2    4    4   40                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   10                                       
CONECT    6    1    5    5   41                                       
CONECT    7    4    8                                                 
CONECT    8    7    9   11   15                                       
CONECT    9    8   10   42   43                                       
CONECT   10    5    9   17   17                                       
CONECT   11    8   12   44   45                                       
CONECT   12   11   18   13                                            
CONECT   13   12   14   46   47                                       
CONECT   14   13   15   48   49                                       
CONECT   15    8   14   50   51                                       
CONECT   16    1   52                                                 
CONECT   17   10   10                                                 
CONECT   18   12   19   53   54                                       
CONECT   19   18   20   21   55                                       
CONECT   20   19   56                                                 
CONECT   21   19   22   57   58                                       
CONECT   22   21   23   33                                            
CONECT   23   22   24   59   60                                       
CONECT   24   23   36   61   62                                       
CONECT   25   30   30   26   33                                       
CONECT   26   25   27   27   32                                       
CONECT   27   26   26   28   63                                       
CONECT   28   27   29   29   64                                       
CONECT   29   28   28   30   65                                       
CONECT   30   25   25   29   31                                       
CONECT   31   30   66   67   68                                       
CONECT   32   26   69   70   71                                       
CONECT   33   22   25   35   35                                       
CONECT   33   34   34                                                 
CONECT   34   33   33                                                 
CONECT   35   33   33                                                 
CONECT   36   24   38                                                 
CONECT   37   38   72   73   74                                       
CONECT   38   36   37   75   76                                       
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    6                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   38                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
