COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.124   1.176  -0.135  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.857   1.100  -0.683  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.663   0.469  -1.898  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.737  -0.085  -2.568  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.490  -0.546   2.552  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.061  -0.642   3.968  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.443   0.299   1.039  1.00  0.00           C  
HETATM    8  C   UNL     1       2.999  -0.215  -0.145  1.00  0.00           C  
HETATM    9  C   UNL     1       5.272   0.024  -0.831  1.00  0.00           C  
HETATM   10  C   UNL     1       0.653  -0.566   0.415  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.361   0.487   2.526  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.942  -1.911   2.130  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.814  -0.262   0.659  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.199   0.618  -0.798  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.009  -0.010  -2.020  1.00  0.00           C  
HETATM   16  O   UNL     1      -8.066  -0.555  -2.678  1.00  0.00           O  
HETATM   17  C   UNL     1      -9.347  -0.440  -2.054  1.00  0.00           C  
HETATM   18  S   UNL     1      -3.486   1.807   0.169  1.00  0.00           S  
HETATM   19  O   UNL     1      -2.495   2.071  -0.815  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.018   2.809   1.024  1.00  0.00           O  
HETATM   21  N   UNL     1      -2.863   0.632   1.156  1.00  0.00           N  
HETATM   22  O   UNL     1      -0.303   0.293   2.461  1.00  0.00           O  
HETATM   23  N   UNL     1       1.962   0.038   0.678  1.00  0.00           N  
HETATM   24  O   UNL     1       2.848  -0.944  -1.105  1.00  0.00           O  
HETATM   25  O   UNL     1       4.201   0.340   0.097  1.00  0.00           O  
HETATM   26  C   UNL     1       0.607  -1.968   1.026  1.00  0.00           C  
HETATM   27  C   UNL     1       2.900  -2.944   0.797  1.00  0.00           C  
HETATM   28  C   UNL     1       3.813  -3.762   0.157  1.00  0.00           C  
HETATM   29  C   UNL     1       3.429  -4.491  -0.953  1.00  0.00           C  
HETATM   30  C   UNL     1       2.133  -4.401  -1.424  1.00  0.00           C  
HETATM   31  C   UNL     1       1.220  -3.584  -0.785  1.00  0.00           C  
HETATM   32  C   UNL     1       1.604  -2.855   0.326  1.00  0.00           C  
HETATM   33  C   UNL     1       5.318   1.077  -1.962  1.00  0.00           C  
HETATM   34  C   UNL     1       6.834   1.272  -2.233  1.00  0.00           C  
HETATM   35  C   UNL     1       7.408   1.234  -0.807  1.00  0.00           C  
HETATM   36  C   UNL     1       6.894   2.444   0.016  1.00  0.00           C  
HETATM   37  O   UNL     1       7.052   1.918   1.375  1.00  0.00           O  
HETATM   38  C   UNL     1       6.432   0.615   1.328  1.00  0.00           C  
HETATM   39  C   UNL     1       6.628   0.080  -0.105  1.00  0.00           C  
HETATM   40  C   UNL     1       4.862   2.425  -1.369  1.00  0.00           C  
HETATM   41  O   UNL     1       5.475   2.586  -0.101  1.00  0.00           O  
HETATM   42  H   UNL     1      -6.272   1.670   0.814  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.673   0.411  -2.324  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.586  -0.574  -3.520  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.277  -0.241   1.862  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.274  -0.946   4.658  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.451   0.331   4.269  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.865  -1.377   3.987  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.354   1.321   0.670  1.00  0.00           H  
HETATM   50  H   UNL     1       5.115  -0.969  -1.254  1.00  0.00           H  
HETATM   51  H   UNL     1       0.494  -0.634  -0.662  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.739   1.446   2.879  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.550   0.155   3.174  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.072  -2.157   2.739  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.711  -2.670   2.271  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.652  -1.877   1.080  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.887  -0.341  -0.426  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.939  -1.250   1.104  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.188   0.674  -0.368  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.594   0.614  -1.924  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.101  -0.915  -2.682  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.323  -0.930  -1.081  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.372  -0.586   2.859  1.00  0.00           H  
HETATM   64  H   UNL     1       2.082   0.620   1.444  1.00  0.00           H  
HETATM   65  H   UNL     1       0.853  -1.911   2.086  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.394  -2.383   0.908  1.00  0.00           H  
HETATM   67  H   UNL     1       3.198  -2.378   1.667  1.00  0.00           H  
HETATM   68  H   UNL     1       4.826  -3.832   0.526  1.00  0.00           H  
HETATM   69  H   UNL     1       4.143  -5.129  -1.453  1.00  0.00           H  
HETATM   70  H   UNL     1       1.833  -4.970  -2.292  1.00  0.00           H  
HETATM   71  H   UNL     1       0.207  -3.514  -1.153  1.00  0.00           H  
HETATM   72  H   UNL     1       4.746   0.783  -2.842  1.00  0.00           H  
HETATM   73  H   UNL     1       7.232   0.456  -2.836  1.00  0.00           H  
HETATM   74  H   UNL     1       7.027   2.235  -2.707  1.00  0.00           H  
HETATM   75  H   UNL     1       8.492   1.125  -0.782  1.00  0.00           H  
HETATM   76  H   UNL     1       7.438   3.366  -0.184  1.00  0.00           H  
HETATM   77  H   UNL     1       6.911  -0.052   2.044  1.00  0.00           H  
HETATM   78  H   UNL     1       5.368   0.701   1.552  1.00  0.00           H  
HETATM   79  H   UNL     1       7.166  -0.868  -0.129  1.00  0.00           H  
HETATM   80  H   UNL     1       5.166   3.238  -2.029  1.00  0.00           H  
HETATM   81  H   UNL     1       3.778   2.430  -1.256  1.00  0.00           H  
CONECT    1   14   14    2   42                                       
CONECT    2    3    3    1   18                                       
CONECT    3    4    2    2   43                                       
CONECT    4   15   15    3   44                                       
CONECT    5   11   12    6   45                                       
CONECT    6    5   46   47   48                                       
CONECT    7   10   13   22   49                                       
CONECT    8   24   24   23   25                                       
CONECT    9   39   25   33   50                                       
CONECT   10   26   23    7   51                                       
CONECT   11   21    5   52   53                                       
CONECT   12    5   54   55   56                                       
CONECT   13   21    7   57   58                                       
CONECT   14   15    1    1   59                                       
CONECT   15    4    4   16   14                                       
CONECT   16   15   17                                                 
CONECT   17   16   60   61   62                                       
CONECT   18   19   19    2   20                                       
CONECT   18   20   21                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   18   13   11                                            
CONECT   22    7   63                                                 
CONECT   23   10    8   64                                            
CONECT   24    8    8                                                 
CONECT   25    8    9                                                 
CONECT   26   32   10   65   66                                       
CONECT   27   28   28   32   67                                       
CONECT   28   29   27   27   68                                       
CONECT   29   30   30   28   69                                       
CONECT   30   29   29   31   70                                       
CONECT   31   30   32   32   71                                       
CONECT   32   31   31   27   26                                       
CONECT   33    9   34   40   72                                       
CONECT   34   35   33   73   74                                       
CONECT   35   39   36   34   75                                       
CONECT   36   35   37   41   76                                       
CONECT   37   38   36                                                 
CONECT   38   39   37   77   78                                       
CONECT   39   38   35    9   79                                       
CONECT   40   33   41   80   81                                       
CONECT   41   36   40                                                 
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
