COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.338  -1.499  -0.112  1.00  0.00           N  
HETATM    2  N   UNL     1       1.737  -0.487  -0.268  1.00  0.00           N  
HETATM    3  C   UNL     1       2.350  -1.666  -0.264  1.00  0.00           C  
HETATM    4  C   UNL     1       1.581  -2.829  -0.178  1.00  0.00           C  
HETATM    5  C   UNL     1       0.207  -2.707  -0.102  1.00  0.00           C  
HETATM    6  C   UNL     1       2.235  -4.187  -0.170  1.00  0.00           C  
HETATM    7  C   UNL     1       3.983   0.445  -1.335  1.00  0.00           C  
HETATM    8  C   UNL     1       5.972   1.722  -0.949  1.00  0.00           C  
HETATM    9  C   UNL     1       5.733  -0.451   0.049  1.00  0.00           C  
HETATM   10  C   UNL     1       9.560   2.214   1.389  1.00  0.00           C  
HETATM   11  C   UNL     1       9.781   3.672   1.795  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.577   0.937  -0.005  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.668   2.028  -0.474  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.591   0.158   1.037  1.00  0.00           C  
HETATM   15  C   UNL     1       0.417  -0.412  -0.193  1.00  0.00           C  
HETATM   16  F   UNL     1       1.251  -5.178  -0.079  1.00  0.00           F  
HETATM   17  F   UNL     1       2.963  -4.361  -1.352  1.00  0.00           F  
HETATM   18  F   UNL     1       3.097  -4.283   0.927  1.00  0.00           F  
HETATM   19  N   UNL     1       3.732  -1.741  -0.343  1.00  0.00           N  
HETATM   20  C   UNL     1       4.484  -0.581  -0.543  1.00  0.00           C  
HETATM   21  C   UNL     1       4.729   1.591  -1.537  1.00  0.00           C  
HETATM   22  C   UNL     1       6.477   0.703  -0.152  1.00  0.00           C  
HETATM   23  N   UNL     1       7.736   0.837   0.443  1.00  0.00           N  
HETATM   24  C   UNL     1       8.158   2.046   0.863  1.00  0.00           C  
HETATM   25  O   UNL     1       7.409   2.999   0.817  1.00  0.00           O  
HETATM   26  N   UNL     1      -0.191   0.832  -0.200  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.300   1.926  -0.668  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.314   1.146   0.381  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.227   0.054   0.844  1.00  0.00           C  
HETATM   30  N   UNL     1      -5.696   1.248   0.578  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.172   0.219   1.511  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.647   0.475   1.840  1.00  0.00           C  
HETATM   33  N   UNL     1      -8.398   0.567   0.579  1.00  0.00           N  
HETATM   34  C   UNL     1      -7.900   1.480  -0.462  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.416   1.183  -0.701  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.512  -0.165   0.382  1.00  0.00           C  
HETATM   37  O   UNL     1      -9.966  -0.834   1.286  1.00  0.00           O  
HETATM   38  C   UNL     1     -10.195  -0.153  -0.961  1.00  0.00           C  
HETATM   39  O   UNL     1      -1.665   2.789  -1.505  1.00  0.00           O  
HETATM   40  C   UNL     1      -2.470   3.776  -2.152  1.00  0.00           C  
HETATM   41  H   UNL     1      -0.417  -3.586  -0.036  1.00  0.00           H  
HETATM   42  H   UNL     1       3.012   0.346  -1.796  1.00  0.00           H  
HETATM   43  H   UNL     1       6.552   2.619  -1.109  1.00  0.00           H  
HETATM   44  H   UNL     1       6.125  -1.247   0.665  1.00  0.00           H  
HETATM   45  H   UNL     1      10.274   1.941   0.613  1.00  0.00           H  
HETATM   46  H   UNL     1       9.702   1.570   2.257  1.00  0.00           H  
HETATM   47  H   UNL     1       9.066   3.946   2.571  1.00  0.00           H  
HETATM   48  H   UNL     1      10.795   3.794   2.175  1.00  0.00           H  
HETATM   49  H   UNL     1       9.639   4.317   0.927  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.231   2.793  -0.987  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.096  -0.530   1.699  1.00  0.00           H  
HETATM   52  H   UNL     1       4.176  -2.599  -0.259  1.00  0.00           H  
HETATM   53  H   UNL     1       4.339   2.385  -2.157  1.00  0.00           H  
HETATM   54  H   UNL     1       8.306   0.059   0.553  1.00  0.00           H  
HETATM   55  H   UNL     1       0.342   1.630  -0.340  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.666  -0.715   1.355  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.068  -0.765   1.052  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.583   0.257   2.427  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.037  -0.347   2.439  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.741   1.409   2.395  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.458   1.321  -1.385  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.020   2.511  -0.132  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.003   1.922  -1.388  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.308   0.187  -1.128  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.594   0.420  -1.669  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.305  -1.175  -1.323  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.179   0.307  -0.865  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.841   4.398  -2.789  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.230   3.285  -2.760  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.954   4.400  -1.400  1.00  0.00           H  
CONECT    1   15   15    5                                            
CONECT    2    3    3   15                                            
CONECT    3   19    2    2    4                                       
CONECT    4    3    6    5    5                                       
CONECT    5    4    4    1   41                                       
CONECT    6   18   16    4   17                                       
CONECT    7   21   21   20   42                                       
CONECT    8   22   22   21   43                                       
CONECT    9   22   20   20   44                                       
CONECT   10   11   24   45   46                                       
CONECT   11   10   47   48   49                                       
CONECT   12   29   26   27   27                                       
CONECT   13   28   28   27   50                                       
CONECT   14   29   29   28   51                                       
CONECT   15    2   26    1    1                                       
CONECT   16    6                                                      
CONECT   17    6                                                      
CONECT   18    6                                                      
CONECT   19   20    3   52                                            
CONECT   20    9    9    7   19                                       
CONECT   21    8    7    7   53                                       
CONECT   22   23    8    8    9                                       
CONECT   23   24   22   54                                            
CONECT   24   10   25   25   23                                       
CONECT   25   24   24                                                 
CONECT   26   12   15   55                                            
CONECT   27   12   12   13   39                                       
CONECT   28   30   14   13   13                                       
CONECT   29   14   14   12   56                                       
CONECT   30   35   28   31                                            
CONECT   31   32   30   57   58                                       
CONECT   32   33   31   59   60                                       
CONECT   33   34   36   32                                            
CONECT   34   35   33   61   62                                       
CONECT   35   34   30   63   64                                       
CONECT   36   38   33   37   37                                       
CONECT   37   36   36                                                 
CONECT   38   36   65   66   67                                       
CONECT   39   27   40                                                 
CONECT   40   39   68   69   70                                       
CONECT   41    5                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   19                                                      
CONECT   53   21                                                      
CONECT   54   23                                                      
CONECT   55   26                                                      
CONECT   56   29                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   38                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
CONECT   68   40                                                      
CONECT   69   40                                                      
CONECT   70   40                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
