COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.362   0.233  -0.174  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.859  -1.603   1.443  1.00  0.00           C  
HETATM    3  C   UNL     1       5.211  -0.494  -1.022  1.00  0.00           C  
HETATM    4  C   UNL     1       5.794  -1.682  -0.301  1.00  0.00           C  
HETATM    5  C   UNL     1       5.991  -4.033   0.030  1.00  0.00           C  
HETATM    6  C   UNL     1       2.546   3.675   0.590  1.00  0.00           C  
HETATM    7  C   UNL     1       2.845   5.041  -0.032  1.00  0.00           C  
HETATM    8  C   UNL     1       0.836   0.620  -0.665  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.931   0.006  -0.502  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.274   0.247   0.189  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.866   0.192   0.932  1.00  0.00           O  
HETATM   12  C   UNL     1      -7.865  -1.207  -0.034  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.792  -2.144  -0.810  1.00  0.00           C  
HETATM   14  C   UNL     1       3.285   0.984  -0.818  1.00  0.00           C  
HETATM   15  O   UNL     1       3.673   1.578  -1.801  1.00  0.00           O  
HETATM   16  C   UNL     1       5.429  -2.970  -0.661  1.00  0.00           C  
HETATM   17  C   UNL     1       6.891  -3.775   1.046  1.00  0.00           C  
HETATM   18  C   UNL     1       6.705  -1.502   0.723  1.00  0.00           C  
HETATM   19  C   UNL     1       1.711   3.865   1.859  1.00  0.00           C  
HETATM   20  N   UNL     1       1.798   2.853  -0.370  1.00  0.00           N  
HETATM   21  C   UNL     1       2.021   1.422  -0.123  1.00  0.00           C  
HETATM   22  S   UNL     1      -0.658   1.038   0.274  1.00  0.00           S  
HETATM   23  N   UNL     1      -4.303  -0.587  -0.438  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.573  -0.541   0.009  1.00  0.00           C  
HETATM   25  O   UNL     1      -6.518  -1.308  -0.568  1.00  0.00           O  
HETATM   26  N   UNL     1       3.983  -0.068  -0.346  1.00  0.00           N  
HETATM   27  N   UNL     1       7.220  -2.537   1.357  1.00  0.00           N  
HETATM   28  H   UNL     1      -7.701   0.901   0.378  1.00  0.00           H  
HETATM   29  H   UNL     1      -8.366   0.516  -1.227  1.00  0.00           H  
HETATM   30  H   UNL     1      -9.373   0.309   0.226  1.00  0.00           H  
HETATM   31  H   UNL     1      -8.870  -1.527   1.844  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.505  -2.629   1.543  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.198  -0.935   1.996  1.00  0.00           H  
HETATM   34  H   UNL     1       5.931   0.324  -1.016  1.00  0.00           H  
HETATM   35  H   UNL     1       4.983  -0.770  -2.051  1.00  0.00           H  
HETATM   36  H   UNL     1       5.729  -5.050  -0.224  1.00  0.00           H  
HETATM   37  H   UNL     1       3.482   3.178   0.843  1.00  0.00           H  
HETATM   38  H   UNL     1       3.400   5.651   0.680  1.00  0.00           H  
HETATM   39  H   UNL     1       3.439   4.906  -0.936  1.00  0.00           H  
HETATM   40  H   UNL     1       1.908   5.538  -0.285  1.00  0.00           H  
HETATM   41  H   UNL     1       0.684   0.863  -1.717  1.00  0.00           H  
HETATM   42  H   UNL     1       1.042  -0.446  -0.564  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.656  -1.044  -0.405  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.014   0.264  -1.558  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.192  -0.011   1.245  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.550   1.297   0.092  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.796  -1.862  -1.863  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.438  -3.170  -0.710  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.803  -2.068  -0.410  1.00  0.00           H  
HETATM   50  H   UNL     1       4.723  -3.142  -1.460  1.00  0.00           H  
HETATM   51  H   UNL     1       7.333  -4.598   1.589  1.00  0.00           H  
HETATM   52  H   UNL     1       6.998  -0.502   1.006  1.00  0.00           H  
HETATM   53  H   UNL     1       0.809   4.429   1.619  1.00  0.00           H  
HETATM   54  H   UNL     1       1.434   2.891   2.260  1.00  0.00           H  
HETATM   55  H   UNL     1       2.295   4.411   2.600  1.00  0.00           H  
HETATM   56  H   UNL     1       2.037   3.098  -1.319  1.00  0.00           H  
HETATM   57  H   UNL     1       2.117   1.249   0.949  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.069  -1.173  -1.176  1.00  0.00           H  
HETATM   59  H   UNL     1       3.672  -0.543   0.440  1.00  0.00           H  
CONECT    1   12   28   29   30                                       
CONECT    2   12   31   32   33                                       
CONECT    3    4   26   34   35                                       
CONECT    4   16   16   18    3                                       
CONECT    5   17   17   16   36                                       
CONECT    6   20    7   19   37                                       
CONECT    7    6   38   39   40                                       
CONECT    8   22   21   41   42                                       
CONECT    9   10   22   43   44                                       
CONECT   10   23    9   45   46                                       
CONECT   11   24   24                                                 
CONECT   12    2    1   25   13                                       
CONECT   13   12   47   48   49                                       
CONECT   14   21   26   15   15                                       
CONECT   15   14   14                                                 
CONECT   16    5    4    4   50                                       
CONECT   17    5    5   27   51                                       
CONECT   18   27   27    4   52                                       
CONECT   19    6   53   54   55                                       
CONECT   20   21    6   56                                            
CONECT   21    8   20   14   57                                       
CONECT   22    9    8                                                 
CONECT   23   24   10   58                                            
CONECT   24   11   11   25   23                                       
CONECT   25   12   24                                                 
CONECT   26    3   14   59                                            
CONECT   27   17   18   18                                            
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   23                                                      
CONECT   59   26                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
