COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.554   1.770   0.820  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.955   1.754  -0.656  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.861   0.551  -0.926  1.00  0.00           C  
HETATM    4  O   UNL     1      -8.234   0.535  -2.305  1.00  0.00           O  
HETATM    5  C   UNL     1      -7.113  -0.739  -0.585  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.711  -0.722   0.892  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.964  -2.013   1.230  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.713  -2.124   0.356  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.093  -2.139  -1.021  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.800  -0.926   0.621  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.552   0.368   0.274  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.801   0.480   1.157  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.670   1.597   0.462  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.364   1.477  -0.342  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.658   1.393  -1.738  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.668   0.210   0.115  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.576  -0.987  -0.275  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.638  -2.177  -0.045  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.287  -1.668  -0.619  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.342  -0.121  -0.562  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.479   0.243   1.633  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.386   0.500   2.629  1.00  0.00           C  
HETATM   23  O   UNL     1      10.005   0.690  -1.247  1.00  0.00           O  
HETATM   24  C   UNL     1       0.826   0.421   0.265  1.00  0.00           C  
HETATM   25  C   UNL     1       0.733   1.946   0.340  1.00  0.00           C  
HETATM   26  C   UNL     1       2.147   0.021  -0.395  1.00  0.00           C  
HETATM   27  C   UNL     1       3.313   0.454   0.495  1.00  0.00           C  
HETATM   28  C   UNL     1       4.615   0.061  -0.155  1.00  0.00           C  
HETATM   29  N   UNL     1       5.784   0.344   0.452  1.00  0.00           N  
HETATM   30  O   UNL     1       4.609  -0.509  -1.225  1.00  0.00           O  
HETATM   31  C   UNL     1       7.049  -0.038  -0.180  1.00  0.00           C  
HETATM   32  C   UNL     1       8.215   0.395   0.711  1.00  0.00           C  
HETATM   33  S   UNL     1       9.782  -0.079  -0.072  1.00  0.00           S  
HETATM   34  O   UNL     1       9.927  -1.492  -0.083  1.00  0.00           O  
HETATM   35  O   UNL     1      10.852   0.401   0.898  1.00  0.00           O  
HETATM   36  H   UNL     1      -5.909   2.627   1.012  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.448   1.841   1.439  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.490   2.673  -0.897  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.061   1.681  -1.275  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.757   0.625  -0.309  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.714   1.324  -2.592  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.759  -1.595  -0.775  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.218  -0.814  -1.203  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.605  -0.645   1.511  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.673  -2.000   2.281  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.614  -2.868   1.043  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.182  -3.045   0.597  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.674  -2.874  -1.260  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.506  -0.911   1.670  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.863   0.327  -0.770  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.214   2.481   0.129  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.428   1.705   1.519  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.728   2.341  -0.149  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.134   2.160  -2.086  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.870  -0.917  -1.322  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.547  -2.397   1.018  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.986  -3.054  -0.591  1.00  0.00           H  
HETATM   58  H   UNL     1       0.539  -2.036  -0.011  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.170  -2.001  -1.651  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.318   0.295  -1.569  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.450   0.351   2.118  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.011  -0.685   1.961  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.843   1.086   1.902  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.735   1.355   2.812  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.275   0.580   3.256  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.854  -0.420   2.869  1.00  0.00           H  
HETATM   67  H   UNL     1       0.782   0.004   1.272  1.00  0.00           H  
HETATM   68  H   UNL     1       1.565   2.332   0.929  1.00  0.00           H  
HETATM   69  H   UNL     1       0.777   2.362  -0.667  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.208   2.230   0.810  1.00  0.00           H  
HETATM   71  H   UNL     1       2.174  -1.060  -0.529  1.00  0.00           H  
HETATM   72  H   UNL     1       2.230   0.510  -1.366  1.00  0.00           H  
HETATM   73  H   UNL     1       3.286   1.536   0.629  1.00  0.00           H  
HETATM   74  H   UNL     1       3.230  -0.034   1.466  1.00  0.00           H  
HETATM   75  H   UNL     1       5.788   0.800   1.309  1.00  0.00           H  
HETATM   76  H   UNL     1       7.076  -1.120  -0.314  1.00  0.00           H  
HETATM   77  H   UNL     1       7.132   0.450  -1.151  1.00  0.00           H  
HETATM   78  H   UNL     1       8.188   1.476   0.844  1.00  0.00           H  
HETATM   79  H   UNL     1       8.132  -0.094   1.681  1.00  0.00           H  
HETATM   80  H   UNL     1      11.756   0.215   0.610  1.00  0.00           H  
CONECT    1    2   12   36   37                                       
CONECT    2    1    3   38   39                                       
CONECT    3    2    4    5   40                                       
CONECT    4    3   41                                                 
CONECT    5    3    6   42   43                                       
CONECT    6    5    7   12   44                                       
CONECT    7    6    8   45   46                                       
CONECT    8    7    9   10   47                                       
CONECT    9    8   48                                                 
CONECT   10    8   11   17   49                                       
CONECT   11   10   12   13   50                                       
CONECT   12   11    1    6   22                                       
CONECT   13   11   14   51   52                                       
CONECT   14   13   15   16   53                                       
CONECT   15   14   54                                                 
CONECT   16   14   17   20   21                                       
CONECT   17   16   10   18   55                                       
CONECT   18   17   19   56   57                                       
CONECT   19   18   20   58   59                                       
CONECT   20   19   16   24   60                                       
CONECT   21   16   61   62   63                                       
CONECT   22   12   64   65   66                                       
CONECT   23   33   33                                                 
CONECT   24   20   25   26   67                                       
CONECT   25   24   68   69   70                                       
CONECT   26   24   27   71   72                                       
CONECT   27   26   28   73   74                                       
CONECT   28   27   30   30   29                                       
CONECT   29   28   31   75                                            
CONECT   30   28   28                                                 
CONECT   31   29   32   76   77                                       
CONECT   32   31   33   78   79                                       
CONECT   33   23   23   32   35                                       
CONECT   33   34   34                                                 
CONECT   34   33   33                                                 
CONECT   35   33   80                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   29                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   35                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
