COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.078  -0.223   5.096  1.00  0.00           C  
HETATM    2  O   UNL     1       1.667  -0.007   5.030  1.00  0.00           O  
HETATM    3  C   UNL     1       1.028  -0.439   3.911  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.342  -0.262   3.781  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.989  -0.702   2.643  1.00  0.00           C  
HETATM    6  C   UNL     1       1.745  -1.054   2.895  1.00  0.00           C  
HETATM    7  C   UNL     1       1.094  -1.492   1.759  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.273  -1.319   1.634  1.00  0.00           C  
HETATM    9  S   UNL     1      -1.101  -1.881   0.184  1.00  0.00           S  
HETATM   10  O   UNL     1      -0.289  -2.907  -0.371  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.460  -2.077   0.549  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.085  -0.632  -0.904  1.00  0.00           N  
HETATM   13  C   UNL     1       0.009  -0.472  -1.866  1.00  0.00           C  
HETATM   14  C   UNL     1       1.080   0.406  -1.282  1.00  0.00           C  
HETATM   15  C   UNL     1       2.391  -0.016  -1.367  1.00  0.00           C  
HETATM   16  C   UNL     1       3.425   0.783  -0.874  1.00  0.00           C  
HETATM   17  C   UNL     1       4.825   0.328  -0.960  1.00  0.00           C  
HETATM   18  O   UNL     1       5.242  -0.832  -1.494  1.00  0.00           O  
HETATM   19  C   UNL     1       5.927   1.025  -0.511  1.00  0.00           C  
HETATM   20  C   UNL     1       7.047   0.240  -0.786  1.00  0.00           C  
HETATM   21  C   UNL     1       6.588  -0.910  -1.404  1.00  0.00           C  
HETATM   22  C   UNL     1       7.385  -1.981  -1.854  1.00  0.00           C  
HETATM   23  O   UNL     1       8.591  -1.942  -1.710  1.00  0.00           O  
HETATM   24  C   UNL     1       3.116   2.019  -0.300  1.00  0.00           C  
HETATM   25  C   UNL     1       1.809   2.424  -0.207  1.00  0.00           C  
HETATM   26  C   UNL     1       0.764   1.614  -0.678  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.523   2.097  -0.422  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.512   3.556  -0.248  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.903   4.032   0.085  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.418   4.206   1.317  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.680   4.640   1.182  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.966   4.742  -0.087  1.00  0.00           C  
HETATM   33  N   UNL     1      -2.882   4.377  -0.806  1.00  0.00           N  
HETATM   34  C   UNL     1      -2.778   4.348  -2.267  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.542   1.692  -1.393  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.157   0.346  -0.949  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.226  -0.092  -1.953  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.905  -1.339  -1.452  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.402  -2.582  -1.789  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.023  -3.728  -1.330  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.153  -3.630  -0.531  1.00  0.00           C  
HETATM   42  O   UNL     1      -5.766  -4.756  -0.079  1.00  0.00           O  
HETATM   43  C   UNL     1      -5.656  -2.382  -0.194  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.028  -1.240  -0.651  1.00  0.00           C  
HETATM   45  H   UNL     1       3.462   0.169   6.038  1.00  0.00           H  
HETATM   46  H   UNL     1       3.285  -1.291   5.035  1.00  0.00           H  
HETATM   47  H   UNL     1       3.563   0.289   4.265  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.901   0.220   4.569  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.055  -0.564   2.541  1.00  0.00           H  
HETATM   50  H   UNL     1       2.813  -1.189   2.992  1.00  0.00           H  
HETATM   51  H   UNL     1       1.651  -1.971   0.967  1.00  0.00           H  
HETATM   52  H   UNL     1       0.430  -1.449  -2.101  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.375  -0.014  -2.777  1.00  0.00           H  
HETATM   54  H   UNL     1       2.619  -0.972  -1.816  1.00  0.00           H  
HETATM   55  H   UNL     1       5.923   1.995  -0.037  1.00  0.00           H  
HETATM   56  H   UNL     1       8.075   0.486  -0.565  1.00  0.00           H  
HETATM   57  H   UNL     1       6.925  -2.836  -2.326  1.00  0.00           H  
HETATM   58  H   UNL     1       3.907   2.655   0.071  1.00  0.00           H  
HETATM   59  H   UNL     1       1.580   3.382   0.236  1.00  0.00           H  
HETATM   60  H   UNL     1       0.167   3.820   0.563  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.177   4.030  -1.171  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.905   4.027   2.250  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.911   5.068  -0.495  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.529   5.344  -2.634  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.997   3.647  -2.562  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.730   4.031  -2.693  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.322   2.451  -1.440  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.084   1.576  -2.375  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.600   0.450   0.041  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.963   0.703  -2.068  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.757  -0.295  -2.917  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.523  -2.658  -2.411  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.630  -4.699  -1.594  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.433  -5.070   0.773  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.536  -2.303   0.428  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.417  -0.267  -0.386  1.00  0.00           H  
CONECT    1    2   45   46   47                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    6                                       
CONECT    4    3    3    5   48                                       
CONECT    5    4    8    8   49                                       
CONECT    6    3    7    7   50                                       
CONECT    7    6    6    8   51                                       
CONECT    8    5    5    7    9                                       
CONECT    9   12    8   11   11                                       
CONECT    9   10   10                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12   13   36    9                                            
CONECT   13   14   12   52   53                                       
CONECT   14   15   15   26   13                                       
CONECT   15   16   14   14   54                                       
CONECT   16   17   24   24   15                                       
CONECT   17   18   19   19   16                                       
CONECT   18   21   17                                                 
CONECT   19   20   17   17   55                                       
CONECT   20   21   21   19   56                                       
CONECT   21   22   20   20   18                                       
CONECT   22   23   23   21   57                                       
CONECT   23   22   22                                                 
CONECT   24   16   16   25   58                                       
CONECT   25   24   26   26   59                                       
CONECT   26   25   25   14   27                                       
CONECT   27   26   28   35                                            
CONECT   28   29   27   60   61                                       
CONECT   29   30   30   33   28                                       
CONECT   30   31   29   29   62                                       
CONECT   31   32   32   30                                            
CONECT   32   31   31   33   63                                       
CONECT   33   32   29   34                                            
CONECT   34   33   64   65   66                                       
CONECT   35   27   36   67   68                                       
CONECT   36   35   37   12   69                                       
CONECT   37   36   38   70   71                                       
CONECT   38   37   44   44   39                                       
CONECT   39   38   40   40   72                                       
CONECT   40   39   39   41   73                                       
CONECT   41   43   43   40   42                                       
CONECT   42   41   74                                                 
CONECT   43   44   41   41   75                                       
CONECT   44   38   38   43   76                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   22                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   30                                                      
CONECT   63   32                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
CONECT   72   39                                                      
CONECT   73   40                                                      
CONECT   74   42                                                      
CONECT   75   43                                                      
CONECT   76   44                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
