COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.113   2.751   0.989  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.920   2.728  -3.033  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.490   3.169  -3.427  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.585   2.507  -2.370  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.785   3.578  -1.626  1.00  0.00           C  
HETATM    6  C   UNL     1       5.536   1.333   2.470  1.00  0.00           C  
HETATM    7  C   UNL     1       5.950  -0.138   2.390  1.00  0.00           C  
HETATM    8  C   UNL     1       7.202  -1.486   0.984  1.00  0.00           C  
HETATM    9  C   UNL     1       7.690  -0.617  -1.334  1.00  0.00           C  
HETATM   10  C   UNL     1       8.890  -2.226  -2.144  1.00  0.00           C  
HETATM   11  C   UNL     1       8.552  -2.579  -0.843  1.00  0.00           C  
HETATM   12  C   UNL     1       9.764  -4.599  -1.107  1.00  0.00           C  
HETATM   13  C   UNL     1       9.715  -3.157  -2.921  1.00  0.00           C  
HETATM   14  C   UNL     1       8.224  -0.924   2.004  1.00  0.00           C  
HETATM   15  C   UNL     1       7.300  -0.343   3.102  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.646   1.469  -2.172  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.657   0.316  -1.544  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.715   0.061  -0.693  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.820   1.928  -0.128  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.850   1.728   0.772  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.819   0.777   0.489  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.958   0.530   1.444  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.612  -1.170   0.886  1.00  0.00           C  
HETATM   24  C   UNL     1     -11.340  -2.784   0.296  1.00  0.00           C  
HETATM   25  C   UNL     1     -11.527  -4.303   0.296  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.468  -1.941   1.748  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.499   0.825   2.873  1.00  0.00           C  
HETATM   28  F   UNL     1     -10.563  -4.891  -0.531  1.00  0.00           F  
HETATM   29  F   UNL     1     -11.384  -4.791   1.599  1.00  0.00           F  
HETATM   30  F   UNL     1     -12.804  -4.615  -0.182  1.00  0.00           F  
HETATM   31  N   UNL     1       7.795  -1.559  -0.353  1.00  0.00           N  
HETATM   32  N   UNL     1       8.339  -1.015  -2.391  1.00  0.00           N  
HETATM   33  N   UNL     1       9.002  -3.774  -0.343  1.00  0.00           N  
HETATM   34  N   UNL     1      10.193  -5.783  -0.571  1.00  0.00           N  
HETATM   35  N   UNL     1      10.106  -4.303  -2.343  1.00  0.00           N  
HETATM   36  N   UNL     1      -4.753   1.228  -1.243  1.00  0.00           N1+
HETATM   37  N   UNL     1      -8.382  -0.869   1.346  1.00  0.00           N  
HETATM   38  N   UNL     1     -10.002  -2.457   0.796  1.00  0.00           N  
HETATM   39  O   UNL     1      -4.689   2.397  -4.191  1.00  0.00           O  
HETATM   40  O   UNL     1      -2.163   2.697  -4.736  1.00  0.00           O  
HETATM   41  O   UNL     1       0.134   2.949  -0.730  1.00  0.00           O  
HETATM   42  O   UNL     1       1.951   4.697  -0.610  1.00  0.00           O  
HETATM   43  O   UNL     1       4.360   3.894   1.117  1.00  0.00           O  
HETATM   44  O   UNL     1       4.238   1.495   1.895  1.00  0.00           O  
HETATM   45  O   UNL     1       6.129  -0.521   1.016  1.00  0.00           O  
HETATM   46  O   UNL     1      10.039  -2.895  -4.068  1.00  0.00           O  
HETATM   47  O   UNL     1       9.047  -1.967   2.530  1.00  0.00           O  
HETATM   48  O   UNL     1       7.161  -1.269   4.181  1.00  0.00           O  
HETATM   49  O   UNL     1       3.167   3.445   3.296  1.00  0.00           O  
HETATM   50  O   UNL     1       0.292   4.623   1.291  1.00  0.00           O  
HETATM   51  O   UNL     1      -2.443   1.810  -1.450  1.00  0.00           O  
HETATM   52  O   UNL     1     -10.371  -0.280   0.553  1.00  0.00           O  
HETATM   53  P   UNL     1       1.140   3.775   0.217  1.00  0.00           P  
HETATM   54  P   UNL     1       3.489   2.918   1.809  1.00  0.00           P  
HETATM   55  H   UNL     1      -4.418   3.500  -2.446  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.399   4.254  -3.381  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.905   1.804  -2.852  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.234   4.185  -2.344  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.466   4.213  -1.060  1.00  0.00           H  
HETATM   60  H   UNL     1       5.514   1.648   3.513  1.00  0.00           H  
HETATM   61  H   UNL     1       6.255   1.942   1.922  1.00  0.00           H  
HETATM   62  H   UNL     1       5.186  -0.763   2.852  1.00  0.00           H  
HETATM   63  H   UNL     1       6.846  -2.467   1.299  1.00  0.00           H  
HETATM   64  H   UNL     1       7.149   0.313  -1.249  1.00  0.00           H  
HETATM   65  H   UNL     1       8.833  -0.140   1.553  1.00  0.00           H  
HETATM   66  H   UNL     1       7.688   0.609   3.466  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.482   0.598  -2.806  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.566  -0.242  -2.465  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.452  -0.687  -0.946  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.061   2.666   0.085  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.899   2.305   1.684  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.794   1.181   1.189  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.451  -2.404  -0.719  1.00  0.00           H  
HETATM   74  H   UNL     1     -12.090  -2.326   0.941  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.675  -2.227   2.780  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.610  -2.803   1.097  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.439  -1.590   1.668  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.663   0.173   3.128  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.184   1.866   2.946  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.323   0.646   3.564  1.00  0.00           H  
HETATM   81  H   UNL     1       8.773  -4.032   0.563  1.00  0.00           H  
HETATM   82  H   UNL     1       9.951  -6.020   0.338  1.00  0.00           H  
HETATM   83  H   UNL     1      10.739  -6.386  -1.100  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.397  -3.167   1.063  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.811   3.133  -4.806  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.740   3.038  -5.433  1.00  0.00           H  
HETATM   87  H   UNL     1       9.703  -1.664   3.173  1.00  0.00           H  
HETATM   88  H   UNL     1       7.982  -1.435   4.665  1.00  0.00           H  
HETATM   89  H   UNL     1       2.599   2.854   3.809  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.264   4.082   1.868  1.00  0.00           H  
CONECT    1   54   53                                                 
CONECT    2   16   39    3   55                                       
CONECT    3    2   40    4   56                                       
CONECT    4   51    3    5   57                                       
CONECT    5    4   41   58   59                                       
CONECT    6   44    7   60   61                                       
CONECT    7    6   15   45   62                                       
CONECT    8   31   45   14   63                                       
CONECT    9   32   32   31   64                                       
CONECT   10   32   13   11   11                                       
CONECT   11   10   10   31   33                                       
CONECT   12   35   35   33   34                                       
CONECT   13   46   46   10   35                                       
CONECT   14   15    8   47   65                                       
CONECT   15    7   48   14   66                                       
CONECT   16   51   36    2   67                                       
CONECT   17   36   36   18   68                                       
CONECT   18   17   21   21   69                                       
CONECT   19   36   20   20   70                                       
CONECT   20   19   19   21   71                                       
CONECT   21   18   18   20   22                                       
CONECT   22   27   21   37   72                                       
CONECT   23   37   38   52   52                                       
CONECT   24   38   25   73   74                                       
CONECT   25   30   28   24   29                                       
CONECT   26   37   75   76   77                                       
CONECT   27   22   78   79   80                                       
CONECT   28   25                                                      
CONECT   29   25                                                      
CONECT   30   25                                                      
CONECT   31    9   11    8                                            
CONECT   32    9    9   10                                            
CONECT   33   11   12   81                                            
CONECT   34   12   82   83                                            
CONECT   35   13   12   12                                            
CONECT   36   16   17   17   19                                       
CONECT   37   26   22   23                                            
CONECT   38   23   24   84                                            
CONECT   39    2   85                                                 
CONECT   40    3   86                                                 
CONECT   41   53    5                                                 
CONECT   42   53   53                                                 
CONECT   43   54   54                                                 
CONECT   44   54    6                                                 
CONECT   45    7    8                                                 
CONECT   46   13   13                                                 
CONECT   47   14   87                                                 
CONECT   48   15   88                                                 
CONECT   49   54   89                                                 
CONECT   50   53   90                                                 
CONECT   51   16    4                                                 
CONECT   52   23   23                                                 
CONECT   53   42   42   41    1                                       
CONECT   53   50                                                      
CONECT   54   43   43   44   49                                       
CONECT   54    1                                                      
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    5                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    6                                                      
CONECT   62    7                                                      
CONECT   63    8                                                      
CONECT   64    9                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   22                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   47                                                      
CONECT   88   48                                                      
CONECT   89   49                                                      
CONECT   90   50                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
