COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.793   2.590   0.954  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.025   1.080   1.024  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.692   0.591   0.906  1.00  0.00           C  
HETATM    4  C   UNL     1       0.713   0.200   0.927  1.00  0.00           C  
HETATM    5  C   UNL     1       0.938  -0.765   2.093  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.039  -0.436   3.223  1.00  0.00           C  
HETATM    7  C   UNL     1       0.101  -1.476   4.337  1.00  0.00           C  
HETATM    8  C   UNL     1       0.275   0.954   3.781  1.00  0.00           C  
HETATM    9  C   UNL     1       1.754  -0.043  -0.135  1.00  0.00           C  
HETATM   10  C   UNL     1       4.078  -0.230  -0.844  1.00  0.00           C  
HETATM   11  C   UNL     1       5.061   0.934  -0.978  1.00  0.00           C  
HETATM   12  C   UNL     1       4.345   2.138  -1.593  1.00  0.00           C  
HETATM   13  C   UNL     1       3.461   2.819  -0.567  1.00  0.00           C  
HETATM   14  C   UNL     1       4.921   4.412  -1.104  1.00  0.00           C  
HETATM   15  C   UNL     1       5.355   3.245  -1.965  1.00  0.00           C  
HETATM   16  C   UNL     1       4.833  -1.488  -0.408  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.122   0.646   2.489  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.328   0.730   0.302  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.231   1.163  -1.163  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.533   0.813  -1.885  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.766  -0.697  -1.814  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.863  -1.131  -0.350  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.560  -0.781   0.372  1.00  0.00           C  
HETATM   24  F   UNL     1      -7.957  -1.017  -2.475  1.00  0.00           F  
HETATM   25  F   UNL     1      -5.699  -1.363  -2.428  1.00  0.00           F  
HETATM   26  N   UNL     1      -0.621  -0.020   0.362  1.00  0.00           N  
HETATM   27  N   UNL     1       3.062   0.101   0.158  1.00  0.00           N  
HETATM   28  N   UNL     1       3.895   4.075  -0.392  1.00  0.00           N  
HETATM   29  O   UNL     1      -2.918   0.389   0.387  1.00  0.00           O  
HETATM   30  O   UNL     1       2.517   2.311   0.002  1.00  0.00           O  
HETATM   31  O   UNL     1       5.886  -1.757  -1.336  1.00  0.00           O  
HETATM   32  O   UNL     1       1.415  -0.368  -1.253  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.552   1.324   1.865  1.00  0.00           O  
HETATM   34  H   UNL     1      -3.724   2.899  -0.089  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.624   3.109   1.432  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.865   2.840   1.469  1.00  0.00           H  
HETATM   37  H   UNL     1       0.791   1.227   1.285  1.00  0.00           H  
HETATM   38  H   UNL     1       0.773  -1.788   1.755  1.00  0.00           H  
HETATM   39  H   UNL     1       1.961  -0.663   2.456  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.058  -0.451   2.838  1.00  0.00           H  
HETATM   41  H   UNL     1       1.120  -1.461   4.722  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.595  -1.242   5.142  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.123  -2.466   3.939  1.00  0.00           H  
HETATM   44  H   UNL     1       0.176   1.695   2.988  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.421   1.188   4.587  1.00  0.00           H  
HETATM   46  H   UNL     1       1.295   0.969   4.166  1.00  0.00           H  
HETATM   47  H   UNL     1       3.595  -0.411  -1.805  1.00  0.00           H  
HETATM   48  H   UNL     1       5.443   1.202   0.007  1.00  0.00           H  
HETATM   49  H   UNL     1       5.890   0.637  -1.621  1.00  0.00           H  
HETATM   50  H   UNL     1       3.763   1.837  -2.464  1.00  0.00           H  
HETATM   51  H   UNL     1       5.397   5.381  -1.086  1.00  0.00           H  
HETATM   52  H   UNL     1       6.370   2.938  -1.714  1.00  0.00           H  
HETATM   53  H   UNL     1       5.278   3.497  -3.022  1.00  0.00           H  
HETATM   54  S   UNL     1       3.690  -2.896  -0.367  1.00  0.00           S  
HETATM   55  H   UNL     1       5.254  -1.333   0.585  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.953   1.165   2.967  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.288  -0.430   2.539  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.194   0.896   3.003  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.159   1.248   0.780  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.065   2.239  -1.213  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.400   0.645  -1.640  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.365   1.331  -1.407  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.464   1.122  -2.928  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.694  -0.613   0.128  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.028  -2.207  -0.300  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.729  -1.299  -0.106  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.629  -1.089   1.415  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.733  -0.605  -0.403  1.00  0.00           H  
HETATM   69  H   UNL     1       3.330   0.424   1.032  1.00  0.00           H  
HETATM   70  H   UNL     1       6.536  -1.044  -1.410  1.00  0.00           H  
HETATM   71  O   UNL     1       2.621  -2.488   0.637  1.00  0.00           O  
HETATM   72  O   UNL     1       2.989  -3.006  -1.599  1.00  0.00           O  
HETATM   73  O   UNL     1       4.313  -4.027   0.224  1.00  0.00           O  
HETATM   74  H   UNL     1       1.930  -3.152   0.767  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    1   17   29   18                                       
CONECT    3   33   33   29   26                                       
CONECT    4    9   26    5   37                                       
CONECT    5    4    6   38   39                                       
CONECT    6    5    7    8   40                                       
CONECT    7    6   41   42   43                                       
CONECT    8    6   44   45   46                                       
CONECT    9   32   32   27    4                                       
CONECT   10   11   16   27   47                                       
CONECT   11   12   10   48   49                                       
CONECT   12   13   15   11   50                                       
CONECT   13   28   30   30   12                                       
CONECT   14   28   28   15   51                                       
CONECT   15   14   12   52   53                                       
CONECT   16   10   31   54   55                                       
CONECT   17    2   56   57   58                                       
CONECT   18    2   19   23   59                                       
CONECT   19   18   20   60   61                                       
CONECT   20   19   21   62   63                                       
CONECT   21   20   22   25   24                                       
CONECT   22   23   21   64   65                                       
CONECT   23   18   22   66   67                                       
CONECT   24   21                                                      
CONECT   25   21                                                      
CONECT   26    3    4   68                                            
CONECT   27   10    9   69                                            
CONECT   28   14   14   13                                            
CONECT   29    2    3                                                 
CONECT   30   13   13                                                 
CONECT   31   16   70                                                 
CONECT   32    9    9                                                 
CONECT   33    3    3                                                 
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16   71   72   72                                       
CONECT   54   73   73                                                 
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   31                                                      
CONECT   71   54   74                                                 
CONECT   72   54   54                                                 
CONECT   73   54   54                                                 
CONECT   74   71                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
