COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.926   0.257  -1.865  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.189  -0.399  -0.876  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.007  -1.072  -1.276  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.658  -1.049  -2.554  1.00  0.00           N  
HETATM    5  N   UNL     1      -5.489   0.227  -3.131  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.389  -0.414  -3.452  1.00  0.00           C  
HETATM    7  C   UNL     1       2.883  -3.342   2.195  1.00  0.00           C  
HETATM    8  C   UNL     1       7.020   0.379   2.911  1.00  0.00           C  
HETATM    9  C   UNL     1       3.694  -2.248  -1.325  1.00  0.00           C  
HETATM   10  C   UNL     1       4.709  -1.337  -1.133  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.798  -0.263   0.434  1.00  0.00           C  
HETATM   12  C   UNL     1       5.205  -1.238   2.418  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.688  -3.556   0.214  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.845  -1.440  -0.805  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.381  -4.235  -0.203  1.00  0.00           C  
HETATM   16  C   UNL     1       0.438  -2.180  -1.193  1.00  0.00           C  
HETATM   17  C   UNL     1       4.346   3.070  -1.148  1.00  0.00           C  
HETATM   18  C   UNL     1       7.272   2.973  -1.034  1.00  0.00           C  
HETATM   19  C   UNL     1       1.999  -3.886  -0.477  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.720   0.715   1.700  1.00  0.00           C  
HETATM   21  C   UNL     1       6.989   0.655  -0.140  1.00  0.00           C  
HETATM   22  C   UNL     1       5.222   4.238  -1.510  1.00  0.00           C  
HETATM   23  C   UNL     1       3.527  -2.635   1.030  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.913   0.440   0.456  1.00  0.00           C  
HETATM   25  C   UNL     1       6.146  -0.336   2.031  1.00  0.00           C  
HETATM   26  C   UNL     1       3.108  -2.893  -0.243  1.00  0.00           C  
HETATM   27  C   UNL     1       4.558  -1.713   1.250  1.00  0.00           C  
HETATM   28  C   UNL     1       5.154  -1.058   0.155  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.011  -2.432  -0.774  1.00  0.00           C  
HETATM   30  C   UNL     1       6.318   2.019  -0.311  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.230   2.011   2.349  1.00  0.00           C  
HETATM   32  F   UNL     1      -5.879   1.881   2.688  1.00  0.00           F  
HETATM   33  F   UNL     1      -7.385   3.071   1.449  1.00  0.00           F  
HETATM   34  F   UNL     1      -7.978   2.266   3.503  1.00  0.00           F  
HETATM   35  N   UNL     1       7.714   0.947   3.609  1.00  0.00           N  
HETATM   36  N   UNL     1       6.557   4.183  -1.434  1.00  0.00           N  
HETATM   37  N   UNL     1      -3.230  -1.741  -0.347  1.00  0.00           N  
HETATM   38  N   UNL     1       0.704  -3.245  -0.217  1.00  0.00           N  
HETATM   39  N   UNL     1       6.123  -0.219   0.656  1.00  0.00           N  
HETATM   40  O   UNL     1       4.699   5.267  -1.883  1.00  0.00           O  
HETATM   41  O   UNL     1       5.130   1.875  -1.097  1.00  0.00           O  
HETATM   42  S   UNL     1      -7.339   1.015  -1.145  1.00  0.00           S  
HETATM   43  H   UNL     1      -4.070  -0.419  -4.484  1.00  0.00           H  
HETATM   44  H   UNL     1       2.036  -2.756   2.551  1.00  0.00           H  
HETATM   45  H   UNL     1       2.538  -4.325   1.878  1.00  0.00           H  
HETATM   46  H   UNL     1       3.611  -3.454   2.999  1.00  0.00           H  
HETATM   47  H   UNL     1       3.347  -2.460  -2.326  1.00  0.00           H  
HETATM   48  H   UNL     1       5.158  -0.840  -1.981  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.370  -0.704   1.323  1.00  0.00           H  
HETATM   50  H   UNL     1       4.989  -1.538   3.432  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.495  -4.288   0.209  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.579  -3.140   1.216  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.722  -0.991   0.180  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.050  -0.660  -1.538  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.140  -5.027   0.507  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.495  -4.662  -1.199  1.00  0.00           H  
HETATM   57  H   UNL     1       0.320  -2.617  -2.184  1.00  0.00           H  
HETATM   58  H   UNL     1       1.273  -1.479  -1.202  1.00  0.00           H  
HETATM   59  H   UNL     1       3.891   3.247  -0.174  1.00  0.00           H  
HETATM   60  H   UNL     1       3.564   2.959  -1.899  1.00  0.00           H  
HETATM   61  H   UNL     1       8.091   3.241  -0.366  1.00  0.00           H  
HETATM   62  H   UNL     1       7.673   2.481  -1.920  1.00  0.00           H  
HETATM   63  H   UNL     1       2.032  -4.231  -1.511  1.00  0.00           H  
HETATM   64  H   UNL     1       2.125  -4.736   0.193  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.772   0.816   1.435  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.599  -0.111   2.401  1.00  0.00           H  
HETATM   67  H   UNL     1       7.155   0.206  -1.120  1.00  0.00           H  
HETATM   68  H   UNL     1       7.945   0.780   0.369  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.159  -2.853  -1.768  1.00  0.00           H  
HETATM   70  H   UNL     1       6.065   2.427   0.668  1.00  0.00           H  
HETATM   71  H   UNL     1       7.070   4.976  -1.653  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.493  -1.752   0.586  1.00  0.00           H  
CONECT    1    5    5    2   42                                       
CONECT    2    3    3    1   11                                       
CONECT    3    4   37    2    2                                       
CONECT    4    6    6    3                                            
CONECT    5    6    1    1                                            
CONECT    6    4    4    5   43                                       
CONECT    7   23   44   45   46                                       
CONECT    8   25   35   35   35                                       
CONECT    9   26   26   10   47                                       
CONECT   10    9   28   28   48                                       
CONECT   11    2   24   24   49                                       
CONECT   12   27   25   25   50                                       
CONECT   13   15   29   51   52                                       
CONECT   14   29   16   53   54                                       
CONECT   15   13   38   55   56                                       
CONECT   16   38   14   57   58                                       
CONECT   17   22   41   59   60                                       
CONECT   18   36   30   61   62                                       
CONECT   19   38   26   63   64                                       
CONECT   20   31   24   65   66                                       
CONECT   21   30   39   67   68                                       
CONECT   22   40   40   17   36                                       
CONECT   23   26    7   27   27                                       
CONECT   24   11   11   42   20                                       
CONECT   25   39   12   12    8                                       
CONECT   26   19    9    9   23                                       
CONECT   27   23   23   28   12                                       
CONECT   28   10   10   27   39                                       
CONECT   29   13   37   14   69                                       
CONECT   30   41   18   21   70                                       
CONECT   31   32   34   33   20                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
CONECT   35    8    8    8                                            
CONECT   36   22   18   71                                            
CONECT   37   29    3   72                                            
CONECT   38   15   19   16                                            
CONECT   39   28   21   25                                            
CONECT   40   22   22                                                 
CONECT   41   17   30                                                 
CONECT   42    1   24                                                 
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
