COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.712  -1.344   0.910  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.780  -4.365   0.545  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.769  -2.831   0.483  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.072  -2.880   0.112  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.058  -1.775   0.188  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.211  -1.055   1.372  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.130  -0.027   1.437  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.899   0.288   0.331  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.901   1.411   0.408  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.044   3.754   0.040  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.358   3.680   0.410  1.00  0.00           C  
HETATM   12  C   UNL     1     -10.160   4.817   0.432  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.662   6.035   0.084  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.316   6.154  -0.303  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.493   5.001  -0.320  1.00  0.00           C  
HETATM   16  C   UNL     1       4.296  -0.037  -0.690  1.00  0.00           C  
HETATM   17  C   UNL     1       5.146  -1.058   0.097  1.00  0.00           C  
HETATM   18  C   UNL     1       5.523  -2.246  -0.774  1.00  0.00           C  
HETATM   19  C   UNL     1       1.355  -3.501  -0.223  1.00  0.00           C  
HETATM   20  C   UNL     1       0.935  -2.847   1.102  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.148   5.120  -0.706  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.653   6.338  -1.057  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.462   7.473  -1.039  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.769   7.396  -0.667  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.751  -0.424  -0.846  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.831  -1.449  -0.925  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.315  -4.242  -0.380  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.093  -4.925  -0.261  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.103  -6.805  -1.124  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.423  -4.927  -0.897  1.00  0.00           C  
HETATM   31  C   UNL     1       0.062  -4.178  -0.727  1.00  0.00           C  
HETATM   32  C   UNL     1       5.956   1.073   0.624  1.00  0.00           C  
HETATM   33  C   UNL     1       7.427   1.397  -1.399  1.00  0.00           C  
HETATM   34  C   UNL     1       7.910   3.500  -1.237  1.00  0.00           C  
HETATM   35  C   UNL     1       7.092   3.181  -0.160  1.00  0.00           C  
HETATM   36  C   UNL     1       7.231   5.431   0.575  1.00  0.00           C  
HETATM   37  C   UNL     1       8.384   4.883  -1.359  1.00  0.00           C  
HETATM   38  C   UNL     1       4.474   1.222   0.193  1.00  0.00           C  
HETATM   39  N   UNL     1      -2.183  -4.047   0.262  1.00  0.00           N  
HETATM   40  N   UNL     1      -3.037  -6.201  -0.644  1.00  0.00           N  
HETATM   41  N   UNL     1      -5.269  -6.199  -1.253  1.00  0.00           N  
HETATM   42  N   UNL     1      -6.647  -4.296  -1.033  1.00  0.00           N  
HETATM   43  N   UNL     1       6.797   1.858  -0.281  1.00  0.00           N  
HETATM   44  N   UNL     1       8.086   2.370  -1.960  1.00  0.00           N  
HETATM   45  N   UNL     1       6.762   4.166   0.735  1.00  0.00           N  
HETATM   46  N   UNL     1       6.878   6.385   1.491  1.00  0.00           N  
HETATM   47  N   UNL     1       8.002   5.776  -0.434  1.00  0.00           N  
HETATM   48  O   UNL     1       2.947  -0.445  -0.804  1.00  0.00           O  
HETATM   49  O   UNL     1       4.379  -3.092  -0.938  1.00  0.00           O  
HETATM   50  O   UNL     1       2.353  -4.496   0.004  1.00  0.00           O  
HETATM   51  O   UNL     1       1.762  -0.630   1.556  1.00  0.00           O  
HETATM   52  O   UNL     1      -0.271  -3.475   1.539  1.00  0.00           O  
HETATM   53  O   UNL     1      -7.274   2.636   0.025  1.00  0.00           O  
HETATM   54  O   UNL     1       0.354  -5.440  -1.327  1.00  0.00           O  
HETATM   55  O   UNL     1       4.238  -3.659   1.633  1.00  0.00           O  
HETATM   56  O   UNL     1       4.685  -5.445  -0.083  1.00  0.00           O  
HETATM   57  O   UNL     1       6.299  -0.318   0.524  1.00  0.00           O  
HETATM   58  O   UNL     1       9.111   5.213  -2.283  1.00  0.00           O  
HETATM   59  O   UNL     1       3.655   1.168   1.351  1.00  0.00           O  
HETATM   60  O   UNL     1       1.459   1.447   0.133  1.00  0.00           O  
HETATM   61  O   UNL     1       1.442   1.743   2.634  1.00  0.00           O  
HETATM   62  P   UNL     1       3.926  -4.194   0.145  1.00  0.00           P  
HETATM   63  P   UNL     1       2.067   0.937   1.382  1.00  0.00           P  
HETATM   64  H   UNL     1       0.687  -1.106  -0.152  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.243  -1.071   1.362  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.703  -5.393   0.891  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.269  -1.963   0.886  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.612  -1.300   2.236  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.250   0.531   2.353  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.733   1.202  -0.264  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.272   1.497   1.430  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.778   2.725   0.690  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.195   4.731   0.728  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.299   6.907   0.106  1.00  0.00           H  
HETATM   75  H   UNL     1       4.741   0.138  -1.675  1.00  0.00           H  
HETATM   76  H   UNL     1       4.584  -1.386   0.974  1.00  0.00           H  
HETATM   77  H   UNL     1       5.856  -1.902  -1.751  1.00  0.00           H  
HETATM   78  H   UNL     1       6.325  -2.810  -0.300  1.00  0.00           H  
HETATM   79  H   UNL     1       1.695  -2.757  -0.936  1.00  0.00           H  
HETATM   80  H   UNL     1       1.716  -3.003   1.847  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.510   4.249  -0.724  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.619   6.427  -1.354  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.044   8.428  -1.322  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.384   8.284  -0.658  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.354  -0.174  -1.707  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.717  -2.004  -1.845  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.020  -7.839  -1.425  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.456  -3.526  -1.426  1.00  0.00           H  
HETATM   89  H   UNL     1       6.069   1.411   1.647  1.00  0.00           H  
HETATM   90  H   UNL     1       7.389   0.380  -1.762  1.00  0.00           H  
HETATM   91  H   UNL     1       4.326   2.125  -0.377  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.746  -3.368  -0.769  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.406  -4.782  -1.392  1.00  0.00           H  
HETATM   94  H   UNL     1       6.195   3.955   1.494  1.00  0.00           H  
HETATM   95  H   UNL     1       6.304   6.152   2.237  1.00  0.00           H  
HETATM   96  H   UNL     1       7.202   7.294   1.394  1.00  0.00           H  
HETATM   97  H   UNL     1       2.827  -1.279  -1.278  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.429  -5.933  -1.608  1.00  0.00           H  
HETATM   99  H   UNL     1       5.170  -3.456   1.791  1.00  0.00           H  
HETATM  100  H   UNL     1       0.483   1.653   2.719  1.00  0.00           H  
CONECT    1   51   20   64   65                                       
CONECT    2   52   39   31   66                                       
CONECT    3    4    4   39   67                                       
CONECT    4    5    3    3   27                                       
CONECT    5    6    6   26    4                                       
CONECT    6    7    5    5   68                                       
CONECT    7    8    8    6   69                                       
CONECT    8    9    7    7   25                                       
CONECT    9   53    8   70   71                                       
CONECT   10   15   11   11   53                                       
CONECT   11   12   10   10   72                                       
CONECT   12   13   13   11   73                                       
CONECT   13   12   12   14   74                                       
CONECT   14   24   13   15   15                                       
CONECT   15   14   14   21   10                                       
CONECT   16   48   38   17   75                                       
CONECT   17   16   57   18   76                                       
CONECT   18   17   49   77   78                                       
CONECT   19   20   31   50   79                                       
CONECT   20   52    1   19   80                                       
CONECT   21   22   22   15   81                                       
CONECT   22   23   21   21   82                                       
CONECT   23   24   24   22   83                                       
CONECT   24   23   23   14   84                                       
CONECT   25    8   26   26   85                                       
CONECT   26   25   25    5   86                                       
CONECT   27    4   28   28   30                                       
CONECT   28   39   27   27   40                                       
CONECT   29   40   40   41   87                                       
CONECT   30   27   42   41   41                                       
CONECT   31    2   19   54   88                                       
CONECT   32   38   43   57   89                                       
CONECT   33   43   44   44   90                                       
CONECT   34   35   35   37   44                                       
CONECT   35   45   43   34   34                                       
CONECT   36   46   45   47   47                                       
CONECT   37   47   34   58   58                                       
CONECT   38   59   16   32   91                                       
CONECT   39    3    2   28                                            
CONECT   40   28   29   29                                            
CONECT   41   30   30   29                                            
CONECT   42   30   92   93                                            
CONECT   43   32   35   33                                            
CONECT   44   34   33   33                                            
CONECT   45   36   35   94                                            
CONECT   46   36   95   96                                            
CONECT   47   36   36   37                                            
CONECT   48   16   97                                                 
CONECT   49   62   18                                                 
CONECT   50   19   62                                                 
CONECT   51   63    1                                                 
CONECT   52    2   20                                                 
CONECT   53   10    9                                                 
CONECT   54   31   98                                                 
CONECT   55   62   99                                                 
CONECT   56   62   62                                                 
CONECT   57   32   17                                                 
CONECT   58   37   37                                                 
CONECT   59   63   38                                                 
CONECT   60   63   63                                                 
CONECT   61   63  100                                                 
CONECT   62   50   49   56   56                                       
CONECT   62   55                                                      
CONECT   63   60   60   61   51                                       
CONECT   63   59                                                      
CONECT   64    1                                                      
CONECT   65    1                                                      
CONECT   66    2                                                      
CONECT   67    3                                                      
CONECT   68    6                                                      
CONECT   69    7                                                      
CONECT   70    9                                                      
CONECT   71    9                                                      
CONECT   72   11                                                      
CONECT   73   12                                                      
CONECT   74   13                                                      
CONECT   75   16                                                      
CONECT   76   17                                                      
CONECT   77   18                                                      
CONECT   78   18                                                      
CONECT   79   19                                                      
CONECT   80   20                                                      
CONECT   81   21                                                      
CONECT   82   22                                                      
CONECT   83   23                                                      
CONECT   84   24                                                      
CONECT   85   25                                                      
CONECT   86   26                                                      
CONECT   87   29                                                      
CONECT   88   31                                                      
CONECT   89   32                                                      
CONECT   90   33                                                      
CONECT   91   38                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   45                                                      
CONECT   95   46                                                      
CONECT   96   46                                                      
CONECT   97   48                                                      
CONECT   98   54                                                      
CONECT   99   55                                                      
CONECT  100   61                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
