COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       5.230   1.833   0.777  1.00  0.00           S  
HETATM    2  C   UNL     1      -2.968   0.312   0.104  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.649   0.365  -0.643  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.659   1.273  -1.874  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.963   1.068  -2.648  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.030   2.063  -3.808  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.011  -0.359  -3.197  1.00  0.00           C  
HETATM    8  C   UNL     1       0.684   0.476   0.052  1.00  0.00           C  
HETATM    9  C   UNL     1       3.111   0.255   0.071  1.00  0.00           C  
HETATM   10  C   UNL     1       4.056  -0.820  -0.467  1.00  0.00           C  
HETATM   11  C   UNL     1       3.477  -2.205  -0.168  1.00  0.00           C  
HETATM   12  C   UNL     1       4.385  -3.287  -0.710  1.00  0.00           C  
HETATM   13  C   UNL     1       3.787  -3.967   1.429  1.00  0.00           C  
HETATM   14  C   UNL     1       3.450  -2.461   1.357  1.00  0.00           C  
HETATM   15  C   UNL     1       3.709   1.639  -0.192  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.272   0.151   0.703  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.243   0.688   1.757  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.888  -0.325   2.705  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.723   0.329   1.602  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.117  -0.540   0.406  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.640  -0.682   0.359  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.035  -1.550  -0.837  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.714   0.776   0.276  1.00  0.00           N  
HETATM   24  N   UNL     1       1.815   0.148  -0.604  1.00  0.00           N  
HETATM   25  N   UNL     1       4.545  -4.257   0.206  1.00  0.00           N  
HETATM   26  O   UNL     1      -3.215  -0.447  -0.812  1.00  0.00           O  
HETATM   27  O   UNL     1       4.894  -3.280  -1.811  1.00  0.00           O  
HETATM   28  O   UNL     1       2.769   2.645   0.190  1.00  0.00           O  
HETATM   29  O   UNL     1       0.739   0.860   1.201  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.946   0.689   0.948  1.00  0.00           O  
HETATM   31  H   UNL     1      -0.813  -0.667  -0.951  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.584   2.314  -1.559  1.00  0.00           H  
HETATM   33  H   UNL     1       0.187   1.026  -2.515  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.810   1.229  -1.982  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.182   1.902  -4.475  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.958   1.917  -4.360  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.995   3.080  -3.417  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.964  -1.068  -2.371  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.940  -0.506  -3.749  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.163  -0.521  -3.864  1.00  0.00           H  
HETATM   41  H   UNL     1       2.974   0.116   1.143  1.00  0.00           H  
HETATM   42  H   UNL     1       4.170  -0.699  -1.544  1.00  0.00           H  
HETATM   43  H   UNL     1       5.030  -0.722   0.014  1.00  0.00           H  
HETATM   44  H   UNL     1       2.476  -2.297  -0.588  1.00  0.00           H  
HETATM   45  H   UNL     1       4.396  -4.176   2.309  1.00  0.00           H  
HETATM   46  H   UNL     1       2.872  -4.559   1.455  1.00  0.00           H  
HETATM   47  H   UNL     1       4.208  -1.867   1.867  1.00  0.00           H  
HETATM   48  H   UNL     1       2.460  -2.263   1.768  1.00  0.00           H  
HETATM   49  H   UNL     1       3.939   1.740  -1.252  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.239  -0.937   0.761  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.609   0.452  -0.289  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.003   1.672   2.159  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.620  -1.374   2.579  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.072  -0.007   3.731  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.456   1.077   1.902  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.767  -0.072  -0.514  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.664  -1.526   0.508  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.990  -1.149   1.279  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.094   0.304   0.257  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.581  -2.536  -0.735  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.120  -1.651  -0.871  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.685  -1.083  -1.757  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.516   1.381   1.007  1.00  0.00           H  
HETATM   64  H   UNL     1       1.771  -0.159  -1.523  1.00  0.00           H  
HETATM   65  H   UNL     1       5.092  -5.048   0.076  1.00  0.00           H  
HETATM   66  H   UNL     1       1.930   2.601  -0.289  1.00  0.00           H  
HETATM   67  O   UNL     1       5.818   3.103   0.533  1.00  0.00           O  
HETATM   68  O   UNL     1       5.042   1.356   2.102  1.00  0.00           O  
HETATM   69  O   UNL     1       6.205   0.842   0.157  1.00  0.00           O  
HETATM   70  H   UNL     1       7.076   0.832   0.577  1.00  0.00           H  
CONECT    1   15   67   67   68                                       
CONECT    1   68   69                                                 
CONECT    2   23   30   26   26                                       
CONECT    3    4   23    8   31                                       
CONECT    4    5    3   32   33                                       
CONECT    5    7    6    4   34                                       
CONECT    6    5   35   36   37                                       
CONECT    7    5   38   39   40                                       
CONECT    8    3   29   29   24                                       
CONECT    9   24   15   10   41                                       
CONECT   10    9   11   42   43                                       
CONECT   11   10   14   12   44                                       
CONECT   12   11   27   27   25                                       
CONECT   13   14   25   45   46                                       
CONECT   14   11   13   47   48                                       
CONECT   15    1    9   28   49                                       
CONECT   16   30   17   50   51                                       
CONECT   17   19   16   18   52                                       
CONECT   18   19   17   53   54                                       
CONECT   19   20   17   18   55                                       
CONECT   20   21   19   56   57                                       
CONECT   21   22   20   58   59                                       
CONECT   22   21   60   61   62                                       
CONECT   23    3    2   63                                            
CONECT   24    8    9   64                                            
CONECT   25   13   12   65                                            
CONECT   26    2    2                                                 
CONECT   27   12   12                                                 
CONECT   28   15   66                                                 
CONECT   29    8    8                                                 
CONECT   30    2   16                                                 
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   28                                                      
CONECT   67    1    1                                                 
CONECT   68    1    1                                                 
CONECT   69    1   70                                                 
CONECT   70   69                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
