COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.420  -0.606   0.206  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.746   1.673  -0.203  1.00  0.00           C  
HETATM    3  C   UNL     1       0.921  -0.044   0.084  1.00  0.00           C  
HETATM    4  C   UNL     1       0.276  -2.439   0.511  1.00  0.00           C  
HETATM    5  C   UNL     1       2.342  -0.450   0.139  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.027   2.266   0.130  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.264   3.293  -0.668  1.00  0.00           C  
HETATM    8  C   UNL     1       4.646   0.033  -0.202  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.980  -1.347   0.392  1.00  0.00           C  
HETATM   10  N   UNL     1      -6.671  -1.396   0.351  1.00  0.00           N  
HETATM   11  N   UNL     1      -5.998  -2.613   0.510  1.00  0.00           N  
HETATM   12  C   UNL     1      -6.712  -3.769   0.685  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.118  -3.711   0.739  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.741  -2.509   0.602  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.668  -2.954   0.536  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.617  -4.330   0.696  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.859  -4.784   0.781  1.00  0.00           N  
HETATM   18  N   UNL     1      -8.631  -0.112   0.230  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.543  -2.073   0.428  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.469  -1.571   0.384  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.747   0.732  -0.030  1.00  0.00           C  
HETATM   22  C   UNL     1       0.586   1.292  -0.147  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.083  -0.997   0.261  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.080   2.974  -0.422  1.00  0.00           O  
HETATM   25  C   UNL     1      -7.878   0.901  -0.543  1.00  0.00           C  
HETATM   26  N   UNL     1      -6.427   4.154  -0.025  1.00  0.00           N  
HETATM   27  N   UNL     1       3.309   0.442  -0.154  1.00  0.00           N  
HETATM   28  O   UNL     1       2.637  -1.587   0.449  1.00  0.00           O  
HETATM   29  C   UNL     1       5.653   0.906   0.182  1.00  0.00           C  
HETATM   30  C   UNL     1       6.977   0.495   0.139  1.00  0.00           C  
HETATM   31  C   UNL     1       7.291  -0.789  -0.288  1.00  0.00           C  
HETATM   32  C   UNL     1       6.285  -1.656  -0.671  1.00  0.00           C  
HETATM   33  C   UNL     1       4.966  -1.250  -0.629  1.00  0.00           C  
HETATM   34  N   UNL     1       7.998   1.375   0.526  1.00  0.00           N  
HETATM   35  C   UNL     1       7.840   2.663   0.967  1.00  0.00           C  
HETATM   36  C   UNL     1       9.072   3.139   1.230  1.00  0.00           C  
HETATM   37  N   UNL     1       9.961   2.173   0.958  1.00  0.00           N  
HETATM   38  C   UNL     1       9.330   1.109   0.541  1.00  0.00           C  
HETATM   39  C   UNL     1       9.396   4.520   1.740  1.00  0.00           C  
HETATM   40  O   UNL     1      -7.395   3.352  -1.872  1.00  0.00           O  
HETATM   41  C   UNL     1      -2.304   3.428   0.158  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.128   4.180  -0.889  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.161   5.064  -0.186  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.515   4.936  -0.888  1.00  0.00           C  
HETATM   45  C   UNL     1       6.629  -3.048  -1.134  1.00  0.00           C  
HETATM   46  F   UNL     1       6.641  -3.916  -0.037  1.00  0.00           F  
HETATM   47  F   UNL     1       5.675  -3.481  -2.061  1.00  0.00           F  
HETATM   48  F   UNL     1       7.893  -3.041  -1.736  1.00  0.00           F  
HETATM   49  H   UNL     1       0.486  -2.583   1.571  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.557  -3.077   0.216  1.00  0.00           H  
HETATM   51  H   UNL     1       1.159  -2.701  -0.072  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.626   2.219   1.142  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.081   2.542   0.166  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.696  -4.611   0.888  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.818  -2.448   0.653  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.719  -4.929   0.743  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.511   0.064   0.599  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.784   1.033  -0.078  1.00  0.00           H  
HETATM   59  H   UNL     1       1.365   2.028  -0.285  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.273   0.951  -1.558  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.824   0.624  -0.576  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.429   4.249   0.940  1.00  0.00           H  
HETATM   63  H   UNL     1       3.078   1.367  -0.333  1.00  0.00           H  
HETATM   64  H   UNL     1       5.407   1.904   0.514  1.00  0.00           H  
HETATM   65  H   UNL     1       8.321  -1.109  -0.322  1.00  0.00           H  
HETATM   66  H   UNL     1       4.182  -1.932  -0.924  1.00  0.00           H  
HETATM   67  H   UNL     1       6.907   3.194   1.082  1.00  0.00           H  
HETATM   68  H   UNL     1       9.791   0.176   0.250  1.00  0.00           H  
HETATM   69  H   UNL     1       9.399   4.513   2.830  1.00  0.00           H  
HETATM   70  H   UNL     1      10.377   4.821   1.375  1.00  0.00           H  
HETATM   71  H   UNL     1       8.644   5.224   1.384  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.873   2.571   0.519  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.085   4.093   0.993  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.468   4.803  -1.492  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.640   3.464  -1.532  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.261   4.749   0.853  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.832   6.102  -0.219  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.385   4.424  -1.841  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.933   5.928  -1.058  1.00  0.00           H  
CONECT    1   23   23   21   20                                       
CONECT    2   22   24   21   21                                       
CONECT    3    5   22   22   23                                       
CONECT    4   23   49   50   51                                       
CONECT    5   27   28   28    3                                       
CONECT    6    7   25   52   53                                       
CONECT    7   26    6   40   40                                       
CONECT    8   29   29   33   27                                       
CONECT    9   10   10   18   14                                       
CONECT   10   11    9    9                                            
CONECT   11   15   10   12                                            
CONECT   12   11   17   17   13                                       
CONECT   13   12   14   14   54                                       
CONECT   14    9   13   13   55                                       
CONECT   15   19   16   16   11                                       
CONECT   16   15   15   17   56                                       
CONECT   17   16   12   12                                            
CONECT   18   25    9   57                                            
CONECT   19   20   20   20   15                                       
CONECT   20    1   19   19   19                                       
CONECT   21    2    2    1   58                                       
CONECT   22    3    3    2   59                                       
CONECT   23    3    4    1    1                                       
CONECT   24   41    2                                                 
CONECT   25    6   18   60   61                                       
CONECT   26   44    7   62                                            
CONECT   27    8    5   63                                            
CONECT   28    5    5                                                 
CONECT   29   30    8    8   64                                       
CONECT   30   34   31   31   29                                       
CONECT   31   30   30   32   65                                       
CONECT   32   31   45   33   33                                       
CONECT   33   32   32    8   66                                       
CONECT   34   38   35   30                                            
CONECT   35   36   36   34   67                                       
CONECT   36   39   37   35   35                                       
CONECT   37   36   38   38                                            
CONECT   38   37   37   34   68                                       
CONECT   39   36   69   70   71                                       
CONECT   40    7    7                                                 
CONECT   41   24   42   72   73                                       
CONECT   42   41   43   74   75                                       
CONECT   43   42   44   76   77                                       
CONECT   44   43   26   78   79                                       
CONECT   45   48   32   46   47                                       
CONECT   46   45                                                      
CONECT   47   45                                                      
CONECT   48   45                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   16                                                      
CONECT   57   18                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   29                                                      
CONECT   65   31                                                      
CONECT   66   33                                                      
CONECT   67   35                                                      
CONECT   68   38                                                      
CONECT   69   39                                                      
CONECT   70   39                                                      
CONECT   71   39                                                      
CONECT   72   41                                                      
CONECT   73   41                                                      
CONECT   74   42                                                      
CONECT   75   42                                                      
CONECT   76   43                                                      
CONECT   77   43                                                      
CONECT   78   44                                                      
CONECT   79   44                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
