COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.475  -3.010   1.719  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.835  -2.483   0.057  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.603  -0.588  -0.222  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.472   1.704   0.149  1.00  0.00           C  
HETATM    5  C   UNL     1     -11.682   2.415  -0.261  1.00  0.00           C  
HETATM    6  C   UNL     1     -13.373   4.073  -0.588  1.00  0.00           C  
HETATM    7  C   UNL     1     -14.114   3.167  -1.333  1.00  0.00           C  
HETATM    8  C   UNL     1     -12.431   1.492  -1.015  1.00  0.00           C  
HETATM    9  C   UNL     1       3.776  -0.950  -0.834  1.00  0.00           C  
HETATM   10  C   UNL     1       1.505  -1.737  -0.433  1.00  0.00           C  
HETATM   11  C   UNL     1       0.228  -1.987  -1.237  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.223  -1.455   0.628  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.261  -2.037   1.590  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.733  -3.256   0.927  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.667  -2.250   0.789  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.807  -1.442  -0.096  1.00  0.00           C  
HETATM   17  C   UNL     1     -10.575   0.452  -0.375  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.337   2.248   0.978  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.615   1.994   2.438  1.00  0.00           C  
HETATM   20  C   UNL     1     -12.168   3.708  -0.054  1.00  0.00           C  
HETATM   21  C   UNL     1     -13.898   5.468  -0.367  1.00  0.00           C  
HETATM   22  C   UNL     1     -13.651   1.885  -1.547  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.048  -3.734  -0.528  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.108  -4.731  -0.376  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.956  -4.496   0.354  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.025  -3.542  -0.146  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.987  -2.960  -1.107  1.00  0.00           C  
HETATM   28  C   UNL     1       4.835  -0.449  -1.735  1.00  0.00           C  
HETATM   29  C   UNL     1       6.097  -0.148  -1.229  1.00  0.00           C  
HETATM   30  C   UNL     1       7.092   0.324  -2.087  1.00  0.00           C  
HETATM   31  C   UNL     1       8.392   0.636  -1.575  1.00  0.00           C  
HETATM   32  C   UNL     1       9.459   0.892  -1.156  1.00  0.00           C  
HETATM   33  C   UNL     1      10.760   1.204  -0.645  1.00  0.00           C  
HETATM   34  C   UNL     1      11.142   1.074   0.654  1.00  0.00           C  
HETATM   35  C   UNL     1      10.296   0.592   1.804  1.00  0.00           C  
HETATM   36  C   UNL     1      10.429  -0.904   1.932  1.00  0.00           C  
HETATM   37  C   UNL     1      12.542   1.498   0.708  1.00  0.00           C  
HETATM   38  C   UNL     1      13.489   1.598   1.729  1.00  0.00           C  
HETATM   39  C   UNL     1      14.749   2.044   1.442  1.00  0.00           C  
HETATM   40  C   UNL     1      15.774   2.151   2.542  1.00  0.00           C  
HETATM   41  C   UNL     1      15.091   2.398   0.145  1.00  0.00           C  
HETATM   42  C   UNL     1      14.169   2.307  -0.877  1.00  0.00           C  
HETATM   43  C   UNL     1      12.883   1.856  -0.609  1.00  0.00           C  
HETATM   44  C   UNL     1       6.814   0.492  -3.447  1.00  0.00           C  
HETATM   45  C   UNL     1       5.561   0.191  -3.941  1.00  0.00           C  
HETATM   46  C   UNL     1       4.575  -0.282  -3.098  1.00  0.00           C  
HETATM   47  N   UNL     1       2.555  -1.241  -1.326  1.00  0.00           N  
HETATM   48  N   UNL     1      -0.825  -2.485  -0.342  1.00  0.00           N  
HETATM   49  N   UNL     1      -3.422  -2.512   0.824  1.00  0.00           N  
HETATM   50  O   UNL     1       4.005  -1.099   0.350  1.00  0.00           O  
HETATM   51  O   UNL     1      -8.734   2.396   3.368  1.00  0.00           O  
HETATM   52  O   UNL     1     -10.630   1.430   2.770  1.00  0.00           O  
HETATM   53  O   UNL     1     -11.735   0.338  -1.053  1.00  0.00           O  
HETATM   54  O   UNL     1       9.760  -1.557   2.895  1.00  0.00           O  
HETATM   55  O   UNL     1      11.137  -1.515   1.168  1.00  0.00           O  
HETATM   56  O   UNL     1      11.793   1.665  -1.380  1.00  0.00           O  
HETATM   57  H   UNL     1      -4.673  -2.270   2.495  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.149  -3.941   2.182  1.00  0.00           H  
HETATM   59  H   UNL     1     -15.063   3.469  -1.750  1.00  0.00           H  
HETATM   60  H   UNL     1       1.307  -0.997   0.342  1.00  0.00           H  
HETATM   61  H   UNL     1       1.831  -2.669   0.029  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.099  -1.056  -1.699  1.00  0.00           H  
HETATM   63  H   UNL     1       0.426  -2.728  -2.012  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.653  -0.605   0.099  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.348  -1.128   1.191  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.822  -2.871   2.138  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.579  -1.266   2.292  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.495  -1.286   1.243  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.409   1.752   0.693  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.244   3.320   0.807  1.00  0.00           H  
HETATM   71  H   UNL     1     -11.594   4.417   0.525  1.00  0.00           H  
HETATM   72  H   UNL     1     -14.500   5.490   0.541  1.00  0.00           H  
HETATM   73  H   UNL     1     -13.061   6.159  -0.265  1.00  0.00           H  
HETATM   74  H   UNL     1     -14.512   5.764  -1.218  1.00  0.00           H  
HETATM   75  H   UNL     1     -14.238   1.189  -2.128  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.947  -3.920  -1.098  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.271  -5.699  -0.828  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.221  -5.279   0.465  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.899  -3.868  -0.708  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.595  -4.393   0.383  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.669  -3.731  -1.810  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.426  -2.127  -1.656  1.00  0.00           H  
HETATM   83  H   UNL     1       6.305  -0.278  -0.177  1.00  0.00           H  
HETATM   84  H   UNL     1      10.632   1.066   2.726  1.00  0.00           H  
HETATM   85  H   UNL     1       9.253   0.850   1.621  1.00  0.00           H  
HETATM   86  H   UNL     1      13.228   1.324   2.740  1.00  0.00           H  
HETATM   87  H   UNL     1      16.321   1.212   2.623  1.00  0.00           H  
HETATM   88  H   UNL     1      16.470   2.958   2.313  1.00  0.00           H  
HETATM   89  H   UNL     1      15.272   2.361   3.487  1.00  0.00           H  
HETATM   90  H   UNL     1      16.090   2.749  -0.067  1.00  0.00           H  
HETATM   91  H   UNL     1      14.446   2.586  -1.882  1.00  0.00           H  
HETATM   92  H   UNL     1       7.582   0.857  -4.113  1.00  0.00           H  
HETATM   93  H   UNL     1       5.352   0.322  -4.992  1.00  0.00           H  
HETATM   94  H   UNL     1       3.596  -0.515  -3.491  1.00  0.00           H  
HETATM   95  H   UNL     1       2.372  -1.121  -2.271  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.956   2.211   4.291  1.00  0.00           H  
HETATM   97  H   UNL     1       9.876  -2.516   2.937  1.00  0.00           H  
CONECT    1   49   14   57   58                                       
CONECT    2   15   15   23   16                                       
CONECT    3   16   16   16   17                                       
CONECT    4   17   17    5   18                                       
CONECT    5    8    4   20   20                                       
CONECT    6    7    7   20   21                                       
CONECT    7   22    6    6   59                                       
CONECT    8   53   22   22    5                                       
CONECT    9   28   50   50   47                                       
CONECT   10   47   11   60   61                                       
CONECT   11   10   48   62   63                                       
CONECT   12   48   13   64   65                                       
CONECT   13   12   49   66   67                                       
CONECT   14    1   25   25   15                                       
CONECT   15   14    2    2   68                                       
CONECT   16    2    3    3    3                                       
CONECT   17    3   53    4    4                                       
CONECT   18    4   19   69   70                                       
CONECT   19   52   52   18   51                                       
CONECT   20    5    5    6   71                                       
CONECT   21    6   72   73   74                                       
CONECT   22    8    8    7   75                                       
CONECT   23   24   24    2   76                                       
CONECT   24   25   23   23   77                                       
CONECT   25   14   14   24   78                                       
CONECT   26   27   49   79   80                                       
CONECT   27   48   26   81   82                                       
CONECT   28   29   29   46    9                                       
CONECT   29   30   28   28   83                                       
CONECT   30   31   44   44   29                                       
CONECT   31   32   32   32   30                                       
CONECT   32   33   31   31   31                                       
CONECT   33   34   34   56   32                                       
CONECT   34   35   37   33   33                                       
CONECT   35   36   34   84   85                                       
CONECT   36   55   55   35   54                                       
CONECT   37   38   34   43   43                                       
CONECT   38   39   39   37   86                                       
CONECT   39   40   38   38   41                                       
CONECT   40   39   87   88   89                                       
CONECT   41   39   42   42   90                                       
CONECT   42   41   41   43   91                                       
CONECT   43   37   37   42   56                                       
CONECT   44   30   30   45   92                                       
CONECT   45   44   46   46   93                                       
CONECT   46   45   45   28   94                                       
CONECT   47    9   10   95                                            
CONECT   48   11   27   12                                            
CONECT   49   26   13    1                                            
CONECT   50    9    9                                                 
CONECT   51   19   96                                                 
CONECT   52   19   19                                                 
CONECT   53   17    8                                                 
CONECT   54   36   97                                                 
CONECT   55   36   36                                                 
CONECT   56   43   33                                                 
CONECT   57    1                                                      
CONECT   58    1                                                      
CONECT   59    7                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   13                                                      
CONECT   68   15                                                      
CONECT   69   18                                                      
CONECT   70   18                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   29                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   38                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
CONECT   94   46                                                      
CONECT   95   47                                                      
CONECT   96   51                                                      
CONECT   97   54                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
