COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -10.625   0.080  -0.246  1.00  0.00           N  
HETATM    2  C   UNL     1     -12.784  -1.816   0.093  1.00  0.00           C  
HETATM    3  O   UNL     1     -14.926  -7.445   0.764  1.00  0.00           O  
HETATM    4  C   UNL     1     -11.375  -2.236  -0.239  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.612   1.034  -0.296  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.862   2.285  -0.851  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.862   3.230  -0.901  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.595   2.932  -0.394  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.347   1.674   0.164  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.352   0.736   0.216  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.520   3.942  -0.447  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.232   4.656  -0.009  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.340   5.579   1.206  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.596   6.342   1.133  1.00  0.00           C  
HETATM   15  C   UNL     1     -11.079  -3.544  -0.389  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.892   3.966   0.001  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.523   4.055  -0.135  1.00  0.00           C  
HETATM   18  C   UNL     1       0.482   4.601  -0.927  1.00  0.00           C  
HETATM   19  C   UNL     1       1.704   3.973  -1.022  1.00  0.00           C  
HETATM   20  C   UNL     1       1.933   2.785  -0.322  1.00  0.00           C  
HETATM   21  C   UNL     1       0.921   2.239   0.472  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.296   2.875   0.567  1.00  0.00           C  
HETATM   23  C   UNL     1       3.241   2.109  -0.422  1.00  0.00           C  
HETATM   24  C   UNL     1       4.725   0.373   0.235  1.00  0.00           C  
HETATM   25  C   UNL     1       4.852  -1.001   0.414  1.00  0.00           C  
HETATM   26  C   UNL     1     -12.091  -4.567  -0.089  1.00  0.00           C  
HETATM   27  C   UNL     1       6.109  -1.589   0.390  1.00  0.00           C  
HETATM   28  C   UNL     1       7.246  -0.794   0.184  1.00  0.00           C  
HETATM   29  C   UNL     1       7.105   0.586   0.005  1.00  0.00           C  
HETATM   30  C   UNL     1       5.855   1.161   0.030  1.00  0.00           C  
HETATM   31  C   UNL     1       8.583  -1.410   0.157  1.00  0.00           C  
HETATM   32  C   UNL     1      10.932  -1.237  -0.160  1.00  0.00           C  
HETATM   33  C   UNL     1      12.072  -0.522   0.194  1.00  0.00           C  
HETATM   34  C   UNL     1      13.323  -1.111   0.077  1.00  0.00           C  
HETATM   35  C   UNL     1      13.431  -2.426  -0.399  1.00  0.00           C  
HETATM   36  C   UNL     1      12.276  -3.135  -0.752  1.00  0.00           C  
HETATM   37  C   UNL     1     -12.136  -5.751  -0.835  1.00  0.00           C  
HETATM   38  C   UNL     1      11.040  -2.544  -0.627  1.00  0.00           C  
HETATM   39  C   UNL     1      14.753  -3.059  -0.528  1.00  0.00           C  
HETATM   40  C   UNL     1      11.813   0.924   2.066  1.00  0.00           C  
HETATM   41  C   UNL     1       3.112  -2.307  -0.548  1.00  0.00           C  
HETATM   42  C   UNL     1     -13.083  -6.707  -0.546  1.00  0.00           C  
HETATM   43  C   UNL     1     -13.994  -6.499   0.484  1.00  0.00           C  
HETATM   44  C   UNL     1     -13.953  -5.325   1.227  1.00  0.00           C  
HETATM   45  C   UNL     1     -13.010  -4.362   0.947  1.00  0.00           C  
HETATM   46  C   UNL     1     -10.330  -1.226  -0.397  1.00  0.00           C  
HETATM   47  N   UNL     1      -5.298   3.653   0.043  1.00  0.00           N  
HETATM   48  N   UNL     1      -6.566   6.931   1.076  1.00  0.00           N  
HETATM   49  N   UNL     1      -1.759   4.694  -0.041  1.00  0.00           N  
HETATM   50  N   UNL     1       3.460   0.963   0.253  1.00  0.00           N  
HETATM   51  N   UNL     1       9.674  -0.643  -0.041  1.00  0.00           N  
HETATM   52  O   UNL     1      -9.192  -1.566  -0.665  1.00  0.00           O  
HETATM   53  O   UNL     1       6.238  -2.930   0.565  1.00  0.00           O  
HETATM   54  O   UNL     1       3.746  -1.768   0.614  1.00  0.00           O  
HETATM   55  O   UNL     1      -6.737   5.035  -0.932  1.00  0.00           O  
HETATM   56  O   UNL     1      -2.834   2.755   0.048  1.00  0.00           O  
HETATM   57  O   UNL     1       4.120   2.585  -1.114  1.00  0.00           O  
HETATM   58  O   UNL     1       8.703  -2.610   0.314  1.00  0.00           O  
HETATM   59  O   UNL     1      14.854  -4.323  -0.985  1.00  0.00           O  
HETATM   60  O   UNL     1      15.754  -2.442  -0.221  1.00  0.00           O  
HETATM   61  O   UNL     1      14.438  -0.417   0.420  1.00  0.00           O  
HETATM   62  O   UNL     1      11.961   0.754   0.655  1.00  0.00           O  
HETATM   63  H   UNL     1     -11.544   0.355  -0.100  1.00  0.00           H  
HETATM   64  H   UNL     1     -12.892  -1.726   1.174  1.00  0.00           H  
HETATM   65  H   UNL     1     -12.996  -0.854  -0.375  1.00  0.00           H  
HETATM   66  H   UNL     1     -13.484  -2.563  -0.281  1.00  0.00           H  
HETATM   67  H   UNL     1     -14.638  -8.100   1.415  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.842   2.515  -1.243  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.057   4.201  -1.333  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.368   1.441   0.557  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.161  -0.236   0.647  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.331   5.244  -0.922  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.330   4.982   2.118  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.496   6.269   1.214  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.098  -3.840  -0.731  1.00  0.00           H  
HETATM   76  H   UNL     1       0.304   5.519  -1.468  1.00  0.00           H  
HETATM   77  H   UNL     1       2.484   4.397  -1.637  1.00  0.00           H  
HETATM   78  H   UNL     1       1.096   1.324   1.018  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.079   2.454   1.181  1.00  0.00           H  
HETATM   80  H   UNL     1       7.978   1.202  -0.154  1.00  0.00           H  
HETATM   81  H   UNL     1       5.750   2.226  -0.109  1.00  0.00           H  
HETATM   82  H   UNL     1      12.356  -4.147  -1.119  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.430  -5.913  -1.635  1.00  0.00           H  
HETATM   84  H   UNL     1      10.151  -3.095  -0.895  1.00  0.00           H  
HETATM   85  H   UNL     1      12.680   0.503   2.575  1.00  0.00           H  
HETATM   86  H   UNL     1      11.735   1.986   2.298  1.00  0.00           H  
HETATM   87  H   UNL     1      10.911   0.412   2.401  1.00  0.00           H  
HETATM   88  H   UNL     1       3.816  -2.943  -1.084  1.00  0.00           H  
HETATM   89  H   UNL     1       2.245  -2.896  -0.249  1.00  0.00           H  
HETATM   90  H   UNL     1       2.791  -1.493  -1.198  1.00  0.00           H  
HETATM   91  H   UNL     1     -13.119  -7.621  -1.120  1.00  0.00           H  
HETATM   92  H   UNL     1     -14.663  -5.168   2.026  1.00  0.00           H  
HETATM   93  H   UNL     1     -12.977  -3.452   1.528  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.125   2.781   0.431  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.803   5.662  -0.007  1.00  0.00           H  
HETATM   96  H   UNL     1       2.739   0.549   0.752  1.00  0.00           H  
HETATM   97  H   UNL     1       9.585   0.321  -0.100  1.00  0.00           H  
HETATM   98  H   UNL     1       6.201  -3.439  -0.256  1.00  0.00           H  
HETATM   99  H   UNL     1      15.743  -4.696  -1.052  1.00  0.00           H  
HETATM  100  H   UNL     1      14.696  -0.520   1.347  1.00  0.00           H  
CONECT    1   46    5   63                                            
CONECT    2    4   64   65   66                                       
CONECT    3   43   67                                                 
CONECT    4    2   15   15   46                                       
CONECT    5    1   10    6    6                                       
CONECT    6    5    5    7   68                                       
CONECT    7    8    8    6   69                                       
CONECT    8    9   11    7    7                                       
CONECT    9   10   10    8   70                                       
CONECT   10    9    9    5   71                                       
CONECT   11   55   55    8   47                                       
CONECT   12   47   13   16   72                                       
CONECT   13   14   12   73   74                                       
CONECT   14   48   48   48   13                                       
CONECT   15   26    4    4   75                                       
CONECT   16   49   12   56   56                                       
CONECT   17   22   49   18   18                                       
CONECT   18   17   17   19   76                                       
CONECT   19   20   20   18   77                                       
CONECT   20   21   23   19   19                                       
CONECT   21   22   22   20   78                                       
CONECT   22   21   21   17   79                                       
CONECT   23   50   20   57   57                                       
CONECT   24   25   50   30   30                                       
CONECT   25   54   27   27   24                                       
CONECT   26   37   37   45   15                                       
CONECT   27   53   25   25   28                                       
CONECT   28   27   31   29   29                                       
CONECT   29   28   28   30   80                                       
CONECT   30   24   24   29   81                                       
CONECT   31   51   28   58   58                                       
CONECT   32   33   51   38   38                                       
CONECT   33   62   34   34   32                                       
CONECT   34   61   33   33   35                                       
CONECT   35   34   39   36   36                                       
CONECT   36   35   35   38   82                                       
CONECT   37   42   26   26   83                                       
CONECT   38   32   32   36   84                                       
CONECT   39   60   60   35   59                                       
CONECT   40   62   85   86   87                                       
CONECT   41   54   88   89   90                                       
CONECT   42   43   43   37   91                                       
CONECT   43    3   42   42   44                                       
CONECT   44   43   45   45   92                                       
CONECT   45   44   44   26   93                                       
CONECT   46    4    1   52   52                                       
CONECT   47   11   12   94                                            
CONECT   48   14   14   14                                            
CONECT   49   17   16   95                                            
CONECT   50   24   23   96                                            
CONECT   51   32   31   97                                            
CONECT   52   46   46                                                 
CONECT   53   27   98                                                 
CONECT   54   25   41                                                 
CONECT   55   11   11                                                 
CONECT   56   16   16                                                 
CONECT   57   23   23                                                 
CONECT   58   31   31                                                 
CONECT   59   39   99                                                 
CONECT   60   39   39                                                 
CONECT   61   34  100                                                 
CONECT   62   40   33                                                 
CONECT   63    1                                                      
CONECT   64    2                                                      
CONECT   65    2                                                      
CONECT   66    2                                                      
CONECT   67    3                                                      
CONECT   68    6                                                      
CONECT   69    7                                                      
CONECT   70    9                                                      
CONECT   71   10                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   15                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   21                                                      
CONECT   79   22                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   40                                                      
CONECT   86   40                                                      
CONECT   87   40                                                      
CONECT   88   41                                                      
CONECT   89   41                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
CONECT   94   47                                                      
CONECT   95   49                                                      
CONECT   96   50                                                      
CONECT   97   51                                                      
CONECT   98   53                                                      
CONECT   99   59                                                      
CONECT  100   61                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
