COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.634   1.506  -0.153  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.396   3.321   1.033  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.145   1.536   0.032  1.00  0.00           C  
HETATM    4  C   UNL     1       2.736   3.263  -1.366  1.00  0.00           C  
HETATM    5  C   UNL     1       2.661   3.800  -2.796  1.00  0.00           C  
HETATM    6  C   UNL     1       4.111   2.633  -1.128  1.00  0.00           C  
HETATM    7  C   UNL     1       4.157   2.045   0.285  1.00  0.00           C  
HETATM    8  C   UNL     1       5.735   0.100   0.145  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.057  -1.188  -2.421  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.717  -2.246  -1.138  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.162  -1.720   0.043  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.974  -0.868  -0.049  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.449  -0.628  -1.278  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.221   0.234  -1.421  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.683   2.491   1.019  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.410   4.265   2.236  1.00  0.00           C  
HETATM   17  C   UNL     1       1.686   1.724   0.145  1.00  0.00           C  
HETATM   18  C   UNL     1       7.030  -0.106   0.522  1.00  0.00           C  
HETATM   19  C   UNL     1       7.820  -1.352   0.354  1.00  0.00           C  
HETATM   20  C   UNL     1       9.141  -1.406   0.795  1.00  0.00           C  
HETATM   21  C   UNL     1       9.873  -2.568   0.637  1.00  0.00           C  
HETATM   22  C   UNL     1       9.295  -3.678   0.040  1.00  0.00           C  
HETATM   23  C   UNL     1       7.981  -3.627  -0.400  1.00  0.00           C  
HETATM   24  C   UNL     1       7.241  -2.471  -0.240  1.00  0.00           C  
HETATM   25  C   UNL     1       3.018   1.032   0.443  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.381   0.635  -0.022  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.746  -2.014   1.281  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.866  -2.820   1.332  1.00  0.00           C  
HETATM   29  C   UNL     1     -10.409  -3.337   0.163  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.842  -3.054  -1.062  1.00  0.00           C  
HETATM   31  F   UNL     1      11.154  -2.621   1.064  1.00  0.00           F  
HETATM   32  F   UNL     1      10.014  -4.812  -0.113  1.00  0.00           F  
HETATM   33  F   UNL     1       7.422  -4.711  -0.982  1.00  0.00           F  
HETATM   34  F   UNL     1      -8.217  -1.512   2.419  1.00  0.00           F  
HETATM   35  F   UNL     1     -10.435  -3.108   2.523  1.00  0.00           F  
HETATM   36  N   UNL     1       5.442   1.373   0.495  1.00  0.00           N  
HETATM   37  N   UNL     1       7.448   1.046   1.077  1.00  0.00           N  
HETATM   38  N   UNL     1       6.483   1.895   1.043  1.00  0.00           N  
HETATM   39  O   UNL     1      -6.577  -0.965  -3.518  1.00  0.00           O  
HETATM   40  O   UNL     1      -8.148  -1.964  -2.330  1.00  0.00           O  
HETATM   41  O   UNL     1      -4.798   0.678  -0.130  1.00  0.00           O  
HETATM   42  O   UNL     1      -3.797   1.768   2.246  1.00  0.00           O  
HETATM   43  O   UNL     1      -1.266   5.120   2.184  1.00  0.00           O  
HETATM   44  O   UNL     1      -1.269   2.447   1.125  1.00  0.00           O  
HETATM   45  O   UNL     1       1.721   2.275  -1.173  1.00  0.00           O  
HETATM   46  O   UNL     1       1.423   4.490  -2.982  1.00  0.00           O  
HETATM   47  O   UNL     1       4.332   1.594  -2.085  1.00  0.00           O  
HETATM   48  O   UNL     1       3.007   0.530   1.781  1.00  0.00           O  
HETATM   49  O   UNL     1      -2.287  -0.239  -1.148  1.00  0.00           O  
HETATM   50  S   UNL     1       0.338   0.516   0.259  1.00  0.00           S  
HETATM   51  H   UNL     1      -3.597   2.059  -1.092  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.330   3.903   0.114  1.00  0.00           H  
HETATM   53  H   UNL     1       2.585   4.081  -0.662  1.00  0.00           H  
HETATM   54  H   UNL     1       3.489   4.486  -2.971  1.00  0.00           H  
HETATM   55  H   UNL     1       2.722   2.969  -3.500  1.00  0.00           H  
HETATM   56  H   UNL     1       4.883   3.395  -1.231  1.00  0.00           H  
HETATM   57  H   UNL     1       4.038   2.844   1.017  1.00  0.00           H  
HETATM   58  H   UNL     1       5.079  -0.608  -0.340  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.523  -0.448   0.838  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.423  -0.346  -1.885  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.453   1.097  -2.044  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.541   3.153   0.904  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.317   4.870   2.213  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.386   3.681   3.156  1.00  0.00           H  
HETATM   65  H   UNL     1       9.591  -0.542   1.259  1.00  0.00           H  
HETATM   66  H   UNL     1       6.216  -2.434  -0.578  1.00  0.00           H  
HETATM   67  H   UNL     1       3.165   0.208  -0.255  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.442   0.045   0.893  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.285  -3.967   0.214  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.275  -3.462  -1.964  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.833   2.329   3.032  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.210   5.747   2.918  1.00  0.00           H  
HETATM   73  H   UNL     1       1.307   4.858  -3.868  1.00  0.00           H  
HETATM   74  H   UNL     1       4.311   1.895  -3.004  1.00  0.00           H  
HETATM   75  H   UNL     1       2.310  -0.117   1.952  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.515  -0.822  -1.131  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.062   2.095  -0.900  1.00  0.00           H  
HETATM   78  H   UNL     1       1.521   2.522   0.868  1.00  0.00           H  
CONECT    1   15   26   41   51                                       
CONECT    2   15   16   44   52                                       
CONECT    3   26   44   50   77                                       
CONECT    4    5    6   45   53                                       
CONECT    5    4   46   54   55                                       
CONECT    6    4    7   47   56                                       
CONECT    7    6   25   36   57                                       
CONECT    8   18   18   36   58                                       
CONECT    9   13   39   39   40                                       
CONECT   10   11   11   30   40                                       
CONECT   11   10   10   12   27                                       
CONECT   12   11   13   13   59                                       
CONECT   13    9   12   12   14                                       
CONECT   14   13   41   60   61                                       
CONECT   15    1    2   42   62                                       
CONECT   16    2   43   63   64                                       
CONECT   17   25   45   50   78                                       
CONECT   18    8    8   19   37                                       
CONECT   19   18   20   20   24                                       
CONECT   20   19   19   21   65                                       
CONECT   21   20   22   22   31                                       
CONECT   22   21   21   23   32                                       
CONECT   23   22   24   24   33                                       
CONECT   24   19   23   23   66                                       
CONECT   25    7   17   48   67                                       
CONECT   26    1    3   49   68                                       
CONECT   27   11   28   28   34                                       
CONECT   28   27   27   29   35                                       
CONECT   29   28   30   30   69                                       
CONECT   30   10   29   29   70                                       
CONECT   31   21                                                      
CONECT   32   22                                                      
CONECT   33   23                                                      
CONECT   34   27                                                      
CONECT   35   28                                                      
CONECT   36    7    8   38                                            
CONECT   37   18   38   38                                            
CONECT   38   36   37   37                                            
CONECT   39    9    9                                                 
CONECT   40    9   10                                                 
CONECT   41    1   14                                                 
CONECT   42   15   71                                                 
CONECT   43   16   72                                                 
CONECT   44    2    3                                                 
CONECT   45    4   17                                                 
CONECT   46    5   73                                                 
CONECT   47    6   74                                                 
CONECT   48   25   75                                                 
CONECT   49   26   76                                                 
CONECT   50    3   17                                                 
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59   12                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   20                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   42                                                      
CONECT   72   43                                                      
CONECT   73   46                                                      
CONECT   74   47                                                      
CONECT   75   48                                                      
CONECT   76   49                                                      
CONECT   77    3                                                      
CONECT   78   17                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
