COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.115   2.092   1.025  1.00  0.00           C  
HETATM    2  C   UNL     1       3.429   1.582   0.805  1.00  0.00           C  
HETATM    3  C   UNL     1       3.708   2.787   0.174  1.00  0.00           C  
HETATM    4  C   UNL     1       4.929   2.974  -0.445  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.429  -0.541  -0.238  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.263  -1.296  -0.304  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.148   1.323  -1.993  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.029   1.955  -1.163  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.810   1.153  -1.295  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.582   1.746  -1.844  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.905   2.591  -0.763  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.960   3.092   0.225  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.870   1.755  -0.017  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.269   2.586   1.118  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.074   1.915   1.635  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.171   1.052   2.814  1.00  0.00           C  
HETATM   17  O   UNL     1       1.218   2.891   0.114  1.00  0.00           O  
HETATM   18  N   UNL     1       2.191   1.388   1.429  1.00  0.00           N  
HETATM   19  C   UNL     1       5.871   1.962  -0.438  1.00  0.00           C  
HETATM   20  C   UNL     1       5.596   0.761   0.189  1.00  0.00           C  
HETATM   21  C   UNL     1       4.378   0.568   0.811  1.00  0.00           C  
HETATM   22  C   UNL     1       7.202   2.169  -1.115  1.00  0.00           C  
HETATM   23  F   UNL     1       7.681   0.941  -1.585  1.00  0.00           F  
HETATM   24  F   UNL     1       7.046   3.051  -2.190  1.00  0.00           F  
HETATM   25  F   UNL     1       8.113   2.706  -0.199  1.00  0.00           F  
HETATM   26  O   UNL     1      -2.481   0.583   0.526  1.00  0.00           O  
HETATM   27  N   UNL     1      -0.127  -0.896   0.410  1.00  0.00           N  
HETATM   28  S   UNL     1       0.529  -1.900   1.552  1.00  0.00           S  
HETATM   29  O   UNL     1       1.743  -1.293   1.971  1.00  0.00           O  
HETATM   30  O   UNL     1      -0.524  -2.231   2.447  1.00  0.00           O  
HETATM   31  C   UNL     1       0.977  -3.396   0.736  1.00  0.00           C  
HETATM   32  C   UNL     1       2.205  -3.501   0.111  1.00  0.00           C  
HETATM   33  C   UNL     1       2.558  -4.674  -0.530  1.00  0.00           C  
HETATM   34  C   UNL     1       1.680  -5.744  -0.546  1.00  0.00           C  
HETATM   35  F   UNL     1       2.023  -6.891  -1.171  1.00  0.00           F  
HETATM   36  C   UNL     1       0.449  -5.638   0.081  1.00  0.00           C  
HETATM   37  C   UNL     1       0.101  -4.466   0.726  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.228  -2.445  -1.079  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.352  -2.844  -1.784  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.512  -2.104  -1.727  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.564  -0.937  -0.954  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.798  -0.140  -0.916  1.00  0.00           C  
HETATM   43  O   UNL     1      -5.829  -0.658  -0.534  1.00  0.00           O  
HETATM   44  C   UNL     1      -6.443   2.003   0.285  1.00  0.00           C  
HETATM   45  O   UNL     1      -7.265   2.973   0.716  1.00  0.00           O  
HETATM   46  O   UNL     1      -6.036   1.168   1.058  1.00  0.00           O  
HETATM   47  H   UNL     1       2.973   3.578   0.168  1.00  0.00           H  
HETATM   48  H   UNL     1       5.147   3.911  -0.936  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.055   1.920  -1.894  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.848   1.288  -3.040  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.338   0.311  -1.636  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.838   2.967  -1.520  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.906   0.953  -2.163  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.832   2.376  -2.697  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.413   3.445  -1.228  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.481   3.704   0.989  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.701   3.690  -0.307  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.451   2.241   0.695  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.078   1.462  -0.706  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.998   3.573   0.741  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.001   2.691   1.918  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.366   0.027   2.499  1.00  0.00           H  
HETATM   63  H   UNL     1       0.766   1.089   3.369  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.985   1.398   3.451  1.00  0.00           H  
HETATM   65  H   UNL     1       2.108   0.747   2.152  1.00  0.00           H  
HETATM   66  H   UNL     1       6.333  -0.028   0.193  1.00  0.00           H  
HETATM   67  H   UNL     1       4.163  -0.370   1.301  1.00  0.00           H  
HETATM   68  H   UNL     1       0.276  -0.031   0.236  1.00  0.00           H  
HETATM   69  H   UNL     1       2.890  -2.666   0.123  1.00  0.00           H  
HETATM   70  H   UNL     1       3.517  -4.755  -1.019  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.235  -6.474   0.073  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.858  -4.384   1.215  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.322  -3.031  -1.134  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.318  -3.742  -2.383  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.383  -2.425  -2.279  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.503   2.963   1.653  1.00  0.00           H  
CONECT    1   15   18   17   17                                       
CONECT    2   18    3    3   21                                       
CONECT    3    2    2    4   47                                       
CONECT    4    3   19   19   48                                       
CONECT    5   26   41   41    6                                       
CONECT    6    5   27   38   38                                       
CONECT    7    8   49   50   51                                       
CONECT    8    7   44    9   52                                       
CONECT    9    8   10   42                                            
CONECT   10    9   11   53   54                                       
CONECT   11   13   10   12   55                                       
CONECT   12   11   56   57   58                                       
CONECT   13   14   11   26   59                                       
CONECT   14   15   13   60   61                                       
CONECT   15   16   14    1                                            
CONECT   16   15   62   63   64                                       
CONECT   17    1    1                                                 
CONECT   18    1    2   65                                            
CONECT   19    4    4   20   22                                       
CONECT   20   21   21   19   66                                       
CONECT   21    2   20   20   67                                       
CONECT   22   19   23   25   24                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   22                                                      
CONECT   26   13    5                                                 
CONECT   27    6   28   68                                            
CONECT   28   27   31   30   30                                       
CONECT   28   29   29                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31   37   28   32   32                                       
CONECT   32   31   31   33   69                                       
CONECT   33   34   34   32   70                                       
CONECT   34   36   35   33   33                                       
CONECT   35   34                                                      
CONECT   36   37   37   34   71                                       
CONECT   37   36   36   31   72                                       
CONECT   38    6    6   39   73                                       
CONECT   39   40   40   38   74                                       
CONECT   40   41   39   39   75                                       
CONECT   41   42    5    5   40                                       
CONECT   42    9   43   43   41                                       
CONECT   43   42   42                                                 
CONECT   44   46   46    8   45                                       
CONECT   45   44   76                                                 
CONECT   46   44   44                                                 
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   18                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   27                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   45                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
