COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.620  -1.275  -0.316  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.973  -1.365  -0.680  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.744  -2.360  -0.161  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.790  -0.258  -0.825  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.485  -0.229  -0.422  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.011  -1.190   0.469  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.568  -1.141   0.901  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.602   0.150   0.551  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.914   1.199  -0.029  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.952  -0.711   1.430  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.621  -0.530   1.733  1.00  0.00           C  
HETATM   12  C   UNL     1       0.087   0.521   1.158  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.568   1.389   0.271  1.00  0.00           C  
HETATM   14  C   UNL     1       3.018  -0.860   1.352  1.00  0.00           C  
HETATM   15  C   UNL     1       2.514  -2.135   1.528  1.00  0.00           C  
HETATM   16  C   UNL     1       3.071  -3.199   0.845  1.00  0.00           C  
HETATM   17  C   UNL     1       4.637  -1.714  -0.192  1.00  0.00           C  
HETATM   18  C   UNL     1       4.133  -2.989  -0.015  1.00  0.00           C  
HETATM   19  N   UNL     1      -6.787  -2.135   0.941  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.089   3.691  -1.675  1.00  0.00           C  
HETATM   21  C   UNL     1       0.019   4.668  -3.690  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.389   5.151  -3.231  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.019   4.913  -2.593  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.617   6.142  -1.776  1.00  0.00           C  
HETATM   25  C   UNL     1     -10.209  -3.290   0.727  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.902  -3.233   1.101  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.073  -2.220   0.587  1.00  0.00           C  
HETATM   28  N   UNL     1       1.398   0.945   1.267  1.00  0.00           N  
HETATM   29  C   UNL     1       2.415   0.300   2.101  1.00  0.00           C  
HETATM   30  C   UNL     1       4.080  -0.649   0.491  1.00  0.00           C  
HETATM   31  I   UNL     1       4.978  -4.603  -1.050  1.00  0.00           I  
HETATM   32  O   UNL     1      -3.918  -0.038   0.267  1.00  0.00           O  
HETATM   33  C   UNL     1       0.447   2.374  -0.152  1.00  0.00           C  
HETATM   34  C   UNL     1       0.261   3.457  -1.047  1.00  0.00           C  
HETATM   35  O   UNL     1       1.188   4.195  -1.308  1.00  0.00           O  
HETATM   36  C   UNL     1       1.612   2.031   0.501  1.00  0.00           C  
HETATM   37  C   UNL     1       2.925   2.760   0.376  1.00  0.00           C  
HETATM   38  C   UNL     1       1.936   4.893   1.222  1.00  0.00           C  
HETATM   39  C   UNL     1       2.809   3.195   2.833  1.00  0.00           C  
HETATM   40  C   UNL     1       3.017   3.836   1.460  1.00  0.00           C  
HETATM   41  C   UNL     1       4.375   4.485   1.409  1.00  0.00           C  
HETATM   42  O   UNL     1       5.187   4.125   0.589  1.00  0.00           O  
HETATM   43  O   UNL     1       4.684   5.465   2.273  1.00  0.00           O  
HETATM   44  H   UNL     1     -10.399  -0.649  -1.367  1.00  0.00           H  
HETATM   45  H   UNL     1     -11.785  -2.428  -0.441  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.174   0.478  -1.515  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.821   0.537  -0.794  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.517  -1.020   1.983  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.072  -2.069   0.615  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.417   1.867  -0.712  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.497  -1.529   1.880  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.126  -1.204   2.417  1.00  0.00           H  
HETATM   53  H   UNL     1       1.684  -2.299   2.200  1.00  0.00           H  
HETATM   54  H   UNL     1       2.677  -4.195   0.984  1.00  0.00           H  
HETATM   55  H   UNL     1       5.467  -1.549  -0.864  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.828   3.865  -0.894  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.376   2.815  -2.258  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.268   3.792  -4.273  1.00  0.00           H  
HETATM   59  H   UNL     1       0.069   5.538  -4.344  1.00  0.00           H  
HETATM   60  H   UNL     1       0.995   4.498  -3.236  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.128   5.326  -2.450  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.339   6.022  -3.885  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.676   4.275  -3.813  1.00  0.00           H  
HETATM   64  H   UNL     1       0.359   5.973  -1.321  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.567   7.013  -2.430  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.356   6.317  -0.994  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.842  -4.070   1.125  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.503  -3.962   1.791  1.00  0.00           H  
HETATM   69  H   UNL     1       1.955  -0.062   3.021  1.00  0.00           H  
HETATM   70  H   UNL     1       3.195   1.021   2.345  1.00  0.00           H  
HETATM   71  H   UNL     1       4.474   0.347   0.354  1.00  0.00           H  
HETATM   72  H   UNL     1       3.746   2.053   0.495  1.00  0.00           H  
HETATM   73  H   UNL     1       2.988   3.228  -0.607  1.00  0.00           H  
HETATM   74  H   UNL     1       0.957   4.415   1.212  1.00  0.00           H  
HETATM   75  H   UNL     1       1.971   5.634   2.020  1.00  0.00           H  
HETATM   76  H   UNL     1       2.112   5.383   0.264  1.00  0.00           H  
HETATM   77  H   UNL     1       3.631   2.510   3.043  1.00  0.00           H  
HETATM   78  H   UNL     1       2.781   3.972   3.597  1.00  0.00           H  
HETATM   79  H   UNL     1       1.868   2.645   2.839  1.00  0.00           H  
HETATM   80  H   UNL     1       5.568   5.851   2.202  1.00  0.00           H  
CONECT    1   27    4    2    2                                       
CONECT    2    1    1    3   44                                       
CONECT    3    2   25   25   45                                       
CONECT    4    1    5    5   46                                       
CONECT    5    4    4    6   47                                       
CONECT    6    5    7   19   19                                       
CONECT    7    6   32   48   49                                       
CONECT    8    9    9   10   32                                       
CONECT    9    8    8   13   50                                       
CONECT   10    8   11   11   51                                       
CONECT   11   10   10   12   52                                       
CONECT   12   11   28   13   13                                       
CONECT   13    9   12   12   33                                       
CONECT   14   30   30   15   29                                       
CONECT   15   14   16   16   53                                       
CONECT   16   15   15   18   54                                       
CONECT   17   18   18   30   55                                       
CONECT   18   16   17   17   31                                       
CONECT   19    6    6   27                                            
CONECT   20   23   34   56   57                                       
CONECT   21   23   58   59   60                                       
CONECT   22   23   61   62   63                                       
CONECT   23   20   21   22   24                                       
CONECT   24   23   64   65   66                                       
CONECT   25    3    3   26   67                                       
CONECT   26   25   27   27   68                                       
CONECT   27    1   19   26   26                                       
CONECT   28   12   36   29                                            
CONECT   29   14   28   69   70                                       
CONECT   30   14   14   17   71                                       
CONECT   31   18                                                      
CONECT   32    7    8                                                 
CONECT   33   13   34   36   36                                       
CONECT   34   20   33   35   35                                       
CONECT   35   34   34                                                 
CONECT   36   28   33   33   37                                       
CONECT   37   36   40   72   73                                       
CONECT   38   40   74   75   76                                       
CONECT   39   40   77   78   79                                       
CONECT   40   37   38   39   41                                       
CONECT   41   40   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   41   80                                                 
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   43                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
