COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.330   1.087   1.219  1.00  0.00           C  
HETATM    2  C   UNL     1       6.368  -0.301   0.365  1.00  0.00           C  
HETATM    3  C   UNL     1       7.124   2.063   0.079  1.00  0.00           C  
HETATM    4  C   UNL     1       8.676   0.189  -0.399  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.517   0.512   2.013  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.653  -0.512   1.297  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.564   1.885   0.322  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.056   3.236  -0.005  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.968   5.425  -0.335  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.271   5.289  -0.613  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.860  -1.255  -0.704  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.476  -0.608  -1.864  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.369  -1.314  -3.047  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.646  -2.668  -3.072  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.030  -3.317  -1.911  1.00  0.00           C  
HETATM   16  C   UNL     1       2.908   1.240   0.658  1.00  0.00           C  
HETATM   17  C   UNL     1       1.863   0.850   1.708  1.00  0.00           C  
HETATM   18  N   UNL     1       0.569   0.660   1.035  1.00  0.00           N  
HETATM   19  C   UNL     1       0.589  -0.469   0.097  1.00  0.00           C  
HETATM   20  C   UNL     1       1.584  -0.185  -1.039  1.00  0.00           C  
HETATM   21  N   UNL     1       2.851   0.218  -0.410  1.00  0.00           N  
HETATM   22  C   UNL     1       4.075  -0.266  -0.617  1.00  0.00           C  
HETATM   23  O   UNL     1       4.352  -1.000  -1.546  1.00  0.00           O  
HETATM   24  N   UNL     1       4.972   0.137   0.296  1.00  0.00           N  
HETATM   25  C   UNL     1       7.239   0.640  -0.470  1.00  0.00           C  
HETATM   26  C   UNL     1       6.768   0.615  -1.925  1.00  0.00           C  
HETATM   27  O   UNL     1       8.972  -0.784   0.252  1.00  0.00           O  
HETATM   28  O   UNL     1       9.626   0.870  -1.060  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.844   0.566   1.302  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.976  -0.483   0.585  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.387   0.884   0.288  1.00  0.00           N  
HETATM   32  N   UNL     1      -2.235   1.711   0.659  1.00  0.00           N  
HETATM   33  N   UNL     1      -3.335   4.324  -0.015  1.00  0.00           N  
HETATM   34  S   UNL     1      -5.709   3.643  -0.454  1.00  0.00           S  
HETATM   35  C   UNL     1      -4.142  -2.607  -0.727  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.566  -3.310   0.536  1.00  0.00           C  
HETATM   37  F   UNL     1      -4.302  -4.640  -1.934  1.00  0.00           F  
HETATM   38  C   UNL     1      -2.248  -1.689   1.966  1.00  0.00           C  
HETATM   39  O   UNL     1      -2.681  -1.938   3.076  1.00  0.00           O  
HETATM   40  O   UNL     1      -1.381  -2.537   1.374  1.00  0.00           O  
HETATM   41  C   UNL     1      -1.100  -3.760   2.059  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.024  -4.536   1.296  1.00  0.00           C  
HETATM   43  H   UNL     1       4.851   2.044   1.207  1.00  0.00           H  
HETATM   44  H   UNL     1       4.300   0.681   2.231  1.00  0.00           H  
HETATM   45  H   UNL     1       6.704  -0.283   1.402  1.00  0.00           H  
HETATM   46  H   UNL     1       6.451  -1.315  -0.026  1.00  0.00           H  
HETATM   47  H   UNL     1       7.459   2.081   1.116  1.00  0.00           H  
HETATM   48  H   UNL     1       7.744   2.734  -0.515  1.00  0.00           H  
HETATM   49  H   UNL     1       6.085   2.389   0.029  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.417  -0.445   2.525  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.462   1.321   2.742  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.470   6.383  -0.372  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.938   6.091  -0.892  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.260   0.450  -1.846  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.069  -0.808  -3.953  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.563  -3.220  -3.997  1.00  0.00           H  
HETATM   57  H   UNL     1       2.734   2.247   0.278  1.00  0.00           H  
HETATM   58  H   UNL     1       2.162  -0.078   2.195  1.00  0.00           H  
HETATM   59  H   UNL     1       1.776   1.644   2.450  1.00  0.00           H  
HETATM   60  H   UNL     1       0.890  -1.373   0.625  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.408  -0.609  -0.322  1.00  0.00           H  
HETATM   62  H   UNL     1       1.734  -1.085  -1.635  1.00  0.00           H  
HETATM   63  H   UNL     1       1.208   0.621  -1.670  1.00  0.00           H  
HETATM   64  H   UNL     1       7.388   1.285  -2.520  1.00  0.00           H  
HETATM   65  H   UNL     1       6.850  -0.399  -2.316  1.00  0.00           H  
HETATM   66  H   UNL     1       5.729   0.940  -1.976  1.00  0.00           H  
HETATM   67  H   UNL     1      10.533   0.543  -0.984  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.644  -3.211   0.663  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.304  -4.366   0.470  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.057  -2.863   1.390  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.744  -3.539   3.065  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.008  -4.360   2.118  1.00  0.00           H  
HETATM   73  H   UNL     1       0.910  -3.974   1.312  1.00  0.00           H  
HETATM   74  H   UNL     1       0.127  -5.506   1.768  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.343  -4.680   0.264  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.731  -0.953   1.216  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.583   2.395   0.441  1.00  0.00           H  
CONECT    1   24   16   43   44                                       
CONECT    2   25   24   45   46                                       
CONECT    3   25   47   48   49                                       
CONECT    4   27   27   25   28                                       
CONECT    5   18   29   50   51                                       
CONECT    6   29   29   38   30                                       
CONECT    7   32    8   31   31                                       
CONECT    8   33   33    7   34                                       
CONECT    9   33   10   10   52                                       
CONECT   10    9    9   34   53                                       
CONECT   11   12   30   35   35                                       
CONECT   12   13   13   11   54                                       
CONECT   13   12   12   14   55                                       
CONECT   14   13   15   15   56                                       
CONECT   15   14   14   35   37                                       
CONECT   16    1   21   17   57                                       
CONECT   17   16   18   58   59                                       
CONECT   18   17   19    5                                            
CONECT   19   20   18   60   61                                       
CONECT   20   21   19   62   63                                       
CONECT   21   22   16   20                                            
CONECT   22   23   23   24   21                                       
CONECT   23   22   22                                                 
CONECT   24    2   22    1                                            
CONECT   25    3    2    4   26                                       
CONECT   26   25   64   65   66                                       
CONECT   27    4    4                                                 
CONECT   28    4   67                                                 
CONECT   29    5   32    6    6                                       
CONECT   30    6   11   31   76                                       
CONECT   31    7    7   30                                            
CONECT   32   29    7   77                                            
CONECT   33    9    8    8                                            
CONECT   34    8   10                                                 
CONECT   35   11   11   15   36                                       
CONECT   36   35   68   69   70                                       
CONECT   37   15                                                      
CONECT   38   39   39    6   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41                                                 
CONECT   41   42   40   71   72                                       
CONECT   42   41   73   74   75                                       
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   28                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   41                                                      
CONECT   72   41                                                      
CONECT   73   42                                                      
CONECT   74   42                                                      
CONECT   75   42                                                      
CONECT   76   30                                                      
CONECT   77   32                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
