COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.429  -1.916   3.127  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.372  -1.092   1.240  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.187  -1.587   0.061  1.00  0.00           C  
HETATM    4  O   UNL     1      -5.274  -0.785  -0.720  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.299  -1.716  -1.240  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.594  -1.121  -2.460  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.005  -0.020  -3.823  1.00  0.00           O  
HETATM    8  O   UNL     1      -1.078   1.970  -2.271  1.00  0.00           O  
HETATM    9  C   UNL     1       2.103   4.160  -1.270  1.00  0.00           C  
HETATM   10  C   UNL     1       2.508   4.456   0.176  1.00  0.00           C  
HETATM   11  C   UNL     1       3.922   3.553   1.772  1.00  0.00           C  
HETATM   12  C   UNL     1       5.143   2.217   3.350  1.00  0.00           C  
HETATM   13  C   UNL     1       6.104   0.109   2.774  1.00  0.00           C  
HETATM   14  C   UNL     1       7.888  -0.797   4.238  1.00  0.00           C  
HETATM   15  C   UNL     1       6.881  -1.130   3.136  1.00  0.00           C  
HETATM   16  C   UNL     1       8.659  -0.813   1.353  1.00  0.00           C  
HETATM   17  C   UNL     1       7.273  -2.816   1.420  1.00  0.00           C  
HETATM   18  C   UNL     1       7.580  -4.566  -0.247  1.00  0.00           C  
HETATM   19  C   UNL     1       8.469  -4.838  -1.462  1.00  0.00           C  
HETATM   20  C   UNL     1       5.863   1.097   3.717  1.00  0.00           C  
HETATM   21  C   UNL     1     -11.660  -0.916   3.694  1.00  0.00           C  
HETATM   22  C   UNL     1     -12.368   0.050   3.073  1.00  0.00           C  
HETATM   23  C   UNL     1     -10.550  -0.209   1.927  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.424  -0.206   0.994  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.962   0.087  -0.576  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.389  -2.875  -0.767  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.118  -2.962  -1.643  1.00  0.00           C  
HETATM   28  C   UNL     1       3.750   5.368   0.196  1.00  0.00           C  
HETATM   29  C   UNL     1       4.805   4.553   0.983  1.00  0.00           C  
HETATM   30  C   UNL     1       4.901   1.437   1.196  1.00  0.00           C  
HETATM   31  C   UNL     1       5.609   0.287   1.491  1.00  0.00           C  
HETATM   32  F   UNL     1       9.810  -4.851  -1.065  1.00  0.00           F  
HETATM   33  F   UNL     1       8.134  -6.078  -2.016  1.00  0.00           F  
HETATM   34  F   UNL     1       8.274  -3.833  -2.416  1.00  0.00           F  
HETATM   35  N   UNL     1       7.595  -1.621   1.954  1.00  0.00           N  
HETATM   36  N   UNL     1       7.930  -3.267   0.334  1.00  0.00           N  
HETATM   37  N   UNL     1       4.687   2.353   2.121  1.00  0.00           N1+
HETATM   38  N   UNL     1      -7.462  -0.887   0.233  1.00  0.00           N  
HETATM   39  N   UNL     1      -8.425  -1.910   2.300  1.00  0.00           N  
HETATM   40  N   UNL     1     -10.504  -1.093   2.980  1.00  0.00           N  
HETATM   41  N   UNL     1     -11.678   0.466   2.004  1.00  0.00           N  
HETATM   42  N   UNL     1      -9.115   0.488  -0.121  1.00  0.00           N  
HETATM   43  O   UNL     1       6.390  -3.486   1.919  1.00  0.00           O  
HETATM   44  O   UNL     1       2.864   3.233   0.843  1.00  0.00           O  
HETATM   45  O   UNL     1       0.895   3.398  -1.280  1.00  0.00           O  
HETATM   46  O   UNL     1       1.144   2.143  -3.456  1.00  0.00           O  
HETATM   47  O   UNL     1      -2.808   0.002  -2.057  1.00  0.00           O  
HETATM   48  O   UNL     1      -6.486  -4.013   0.092  1.00  0.00           O  
HETATM   49  O   UNL     1      -4.389  -4.156  -1.351  1.00  0.00           O  
HETATM   50  O   UNL     1      -2.903   1.616  -4.130  1.00  0.00           O  
HETATM   51  O   UNL     1      -0.333   4.190  -3.466  1.00  0.00           O  
HETATM   52  O   UNL     1       3.459   6.594   0.871  1.00  0.00           O  
HETATM   53  O   UNL     1       5.540   5.396   1.873  1.00  0.00           O  
HETATM   54  P   UNL     1       0.178   2.908  -2.637  1.00  0.00           P  
HETATM   55  P   UNL     1      -1.929   0.872  -3.086  1.00  0.00           P  
HETATM   56  H   UNL     1      -9.411  -2.603   3.960  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.750  -1.822   1.031  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.572  -1.972  -0.470  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.946  -1.875  -2.908  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.338  -0.802  -3.190  1.00  0.00           H  
HETATM   61  H   UNL     1       1.945   5.098  -1.802  1.00  0.00           H  
HETATM   62  H   UNL     1       2.895   3.593  -1.760  1.00  0.00           H  
HETATM   63  H   UNL     1       1.683   4.937   0.700  1.00  0.00           H  
HETATM   64  H   UNL     1       3.517   4.023   2.668  1.00  0.00           H  
HETATM   65  H   UNL     1       4.947   2.989   4.081  1.00  0.00           H  
HETATM   66  H   UNL     1       8.575  -0.028   3.883  1.00  0.00           H  
HETATM   67  H   UNL     1       7.357  -0.432   5.117  1.00  0.00           H  
HETATM   68  H   UNL     1       8.450  -1.693   4.500  1.00  0.00           H  
HETATM   69  H   UNL     1       6.195  -1.899   3.491  1.00  0.00           H  
HETATM   70  H   UNL     1       9.625  -1.136   1.743  1.00  0.00           H  
HETATM   71  H   UNL     1       8.644  -0.939   0.271  1.00  0.00           H  
HETATM   72  H   UNL     1       8.501   0.237   1.599  1.00  0.00           H  
HETATM   73  H   UNL     1       6.535  -4.556  -0.556  1.00  0.00           H  
HETATM   74  H   UNL     1       7.731  -5.349   0.496  1.00  0.00           H  
HETATM   75  H   UNL     1       6.234   0.991   4.726  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.950  -1.450   4.586  1.00  0.00           H  
HETATM   77  H   UNL     1     -13.332   0.425   3.386  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.474   0.472  -1.459  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.278  -2.793  -1.392  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.379  -2.922  -2.700  1.00  0.00           H  
HETATM   81  H   UNL     1       4.096   5.564  -0.818  1.00  0.00           H  
HETATM   82  H   UNL     1       5.477   4.028   0.304  1.00  0.00           H  
HETATM   83  H   UNL     1       4.512   1.584   0.200  1.00  0.00           H  
HETATM   84  H   UNL     1       5.774  -0.463   0.732  1.00  0.00           H  
HETATM   85  H   UNL     1       8.634  -2.732  -0.064  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.614  -4.850  -0.376  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.880  -4.970  -1.528  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.536   2.218  -3.716  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.970   4.739  -2.989  1.00  0.00           H  
HETATM   90  H   UNL     1       4.206   7.206   0.913  1.00  0.00           H  
HETATM   91  H   UNL     1       6.038   6.097   1.430  1.00  0.00           H  
CONECT    1   39   39   40   56                                       
CONECT    2   38   24   24   39                                       
CONECT    3   26    4   38   57                                       
CONECT    4    5    3                                                 
CONECT    5   27    6    4   58                                       
CONECT    6    5   47   59   60                                       
CONECT    7   55   55                                                 
CONECT    8   54   55                                                 
CONECT    9   45   10   61   62                                       
CONECT   10    9   28   44   63                                       
CONECT   11   29   44   37   64                                       
CONECT   12   20   37   37   65                                       
CONECT   13   15   20   20   31                                       
CONECT   14   15   66   67   68                                       
CONECT   15   35   13   14   69                                       
CONECT   16   35   70   71   72                                       
CONECT   17   43   43   36   35                                       
CONECT   18   19   36   73   74                                       
CONECT   19   33   18   32   34                                       
CONECT   20   13   13   12   75                                       
CONECT   21   40   22   22   76                                       
CONECT   22   41   21   21   77                                       
CONECT   23   24   41   41   40                                       
CONECT   24   42    2    2   23                                       
CONECT   25   38   42   42   78                                       
CONECT   26   27   48    3   79                                       
CONECT   27   49   26    5   80                                       
CONECT   28   10   52   29   81                                       
CONECT   29   28   11   53   82                                       
CONECT   30   31   31   37   83                                       
CONECT   31   13   30   30   84                                       
CONECT   32   19                                                      
CONECT   33   19                                                      
CONECT   34   19                                                      
CONECT   35   17   15   16                                            
CONECT   36   18   17   85                                            
CONECT   37   12   12   30   11                                       
CONECT   38    3   25    2                                            
CONECT   39    2    1    1                                            
CONECT   40   23    1   21                                            
CONECT   41   23   23   22                                            
CONECT   42   25   25   24                                            
CONECT   43   17   17                                                 
CONECT   44   10   11                                                 
CONECT   45   54    9                                                 
CONECT   46   54   54                                                 
CONECT   47    6   55                                                 
CONECT   48   26   86                                                 
CONECT   49   27   87                                                 
CONECT   50   55   88                                                 
CONECT   51   54   89                                                 
CONECT   52   28   90                                                 
CONECT   53   29   91                                                 
CONECT   54   46   46    8   51                                       
CONECT   54   45                                                      
CONECT   55    7    7    8   47                                       
CONECT   55   50                                                      
CONECT   56    1                                                      
CONECT   57    3                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    6                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   14                                                      
CONECT   67   14                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   16                                                      
CONECT   72   16                                                      
CONECT   73   18                                                      
CONECT   74   18                                                      
CONECT   75   20                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   36                                                      
CONECT   86   48                                                      
CONECT   87   49                                                      
CONECT   88   50                                                      
CONECT   89   51                                                      
CONECT   90   52                                                      
CONECT   91   53                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
