COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.794  -2.661  -0.069  1.00  0.00           C  
HETATM    2  C   UNL     1       6.387  -3.281  -0.229  1.00  0.00           C  
HETATM    3  C   UNL     1       4.037  -3.904  -0.389  1.00  0.00           C  
HETATM    4  C   UNL     1       2.752  -3.222  -0.811  1.00  0.00           C  
HETATM    5  C   UNL     1       0.235  -1.732   0.093  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.115  -2.226   0.101  1.00  0.00           C  
HETATM    7  C   UNL     1      16.441   4.743  -0.546  1.00  0.00           C  
HETATM    8  C   UNL     1      16.933   3.443  -0.568  1.00  0.00           C  
HETATM    9  C   UNL     1      16.064   2.375  -0.586  1.00  0.00           C  
HETATM   10  C   UNL     1      14.683   2.600  -0.581  1.00  0.00           C  
HETATM   11  C   UNL     1      13.751   1.464  -0.599  1.00  0.00           C  
HETATM   12  C   UNL     1      12.602   1.522   0.108  1.00  0.00           C  
HETATM   13  C   UNL     1      12.358   2.667   1.057  1.00  0.00           C  
HETATM   14  C   UNL     1      11.595   0.473  -0.046  1.00  0.00           C  
HETATM   15  C   UNL     1       9.446  -0.410   0.438  1.00  0.00           C  
HETATM   16  C   UNL     1       9.783  -1.728   0.145  1.00  0.00           C  
HETATM   17  C   UNL     1       7.450  -2.284   0.006  1.00  0.00           C  
HETATM   18  C   UNL     1       3.666  -4.605   0.902  1.00  0.00           C  
HETATM   19  C   UNL     1       2.386  -4.334   1.123  1.00  0.00           C  
HETATM   20  C   UNL     1       0.517  -3.094   0.119  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.071  -1.297   0.083  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.516  -1.765   0.085  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.113  -0.006   0.162  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.146  -0.815  -0.303  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.452  -0.390  -0.216  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.746   0.859   0.341  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.143   1.315   0.435  1.00  0.00           C  
HETATM   28  C   UNL     1     -11.453   1.003  -0.026  1.00  0.00           C  
HETATM   29  C   UNL     1     -11.851   1.962   0.902  1.00  0.00           C  
HETATM   30  C   UNL     1     -13.143   2.434   0.900  1.00  0.00           C  
HETATM   31  C   UNL     1     -14.064   1.952  -0.037  1.00  0.00           C  
HETATM   32  C   UNL     1     -15.446   2.457  -0.040  1.00  0.00           C  
HETATM   33  C   UNL     1     -13.665   0.986  -0.973  1.00  0.00           C  
HETATM   34  C   UNL     1     -12.359   0.520  -0.966  1.00  0.00           C  
HETATM   35  C   UNL     1     -11.445   0.059  -3.114  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.707   1.676   0.811  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.394   1.236   0.724  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.000   1.866   2.545  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.828  -3.594   0.116  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.520  -4.022   0.131  1.00  0.00           C  
HETATM   41  C   UNL     1       7.115  -0.960   0.305  1.00  0.00           C  
HETATM   42  C   UNL     1       8.109  -0.033   0.524  1.00  0.00           C  
HETATM   43  C   UNL     1      14.192   3.911  -0.558  1.00  0.00           C  
HETATM   44  C   UNL     1      15.069   4.972  -0.541  1.00  0.00           C  
HETATM   45  N   UNL     1      10.449   0.531   0.660  1.00  0.00           N  
HETATM   46  N   UNL     1       5.092  -2.915  -0.156  1.00  0.00           N  
HETATM   47  N   UNL     1       1.673  -4.803   2.221  1.00  0.00           N  
HETATM   48  N   UNL     1       1.843  -3.531   0.134  1.00  0.00           N  
HETATM   49  N   UNL     1      -3.791  -0.445   0.070  1.00  0.00           N  
HETATM   50  N   UNL     1     -10.141   0.529  -0.017  1.00  0.00           N  
HETATM   51  O   UNL     1      17.301   5.792  -0.523  1.00  0.00           O  
HETATM   52  O   UNL     1     -16.245   2.037  -0.854  1.00  0.00           O  
HETATM   53  O   UNL     1     -15.827   3.385   0.860  1.00  0.00           O  
HETATM   54  O   UNL     1     -14.552   0.517  -1.888  1.00  0.00           O  
HETATM   55  O   UNL     1     -11.966  -0.417  -1.872  1.00  0.00           O  
HETATM   56  O   UNL     1      -9.397   2.402   0.919  1.00  0.00           O  
HETATM   57  O   UNL     1      -6.985   2.887   1.357  1.00  0.00           O  
HETATM   58  O   UNL     1      -4.380   2.023   1.177  1.00  0.00           O  
HETATM   59  O   UNL     1      -4.423  -2.574   0.086  1.00  0.00           O  
HETATM   60  O   UNL     1       2.577  -2.539  -1.798  1.00  0.00           O  
HETATM   61  O   UNL     1       6.680  -4.432  -0.488  1.00  0.00           O  
HETATM   62  O   UNL     1      11.792  -0.452  -0.813  1.00  0.00           O  
HETATM   63  H   UNL     1       9.056  -3.684  -0.300  1.00  0.00           H  
HETATM   64  H   UNL     1       4.352  -4.628  -1.141  1.00  0.00           H  
HETATM   65  H   UNL     1       1.043  -1.014   0.084  1.00  0.00           H  
HETATM   66  H   UNL     1      17.999   3.271  -0.572  1.00  0.00           H  
HETATM   67  H   UNL     1      16.448   1.366  -0.604  1.00  0.00           H  
HETATM   68  H   UNL     1      13.984   0.583  -1.179  1.00  0.00           H  
HETATM   69  H   UNL     1      11.853   3.475   0.529  1.00  0.00           H  
HETATM   70  H   UNL     1      11.734   2.327   1.884  1.00  0.00           H  
HETATM   71  H   UNL     1      13.311   3.026   1.446  1.00  0.00           H  
HETATM   72  H   UNL     1      10.821  -2.020   0.087  1.00  0.00           H  
HETATM   73  H   UNL     1       4.316  -5.207   1.520  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.289  -0.240   0.063  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.922  -1.779  -0.734  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.250  -1.020  -0.578  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.143   2.336   1.626  1.00  0.00           H  
HETATM   78  H   UNL     1     -13.447   3.178   1.622  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.564   0.674  -2.927  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.170  -0.789  -3.742  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.203   0.656  -3.621  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.184   2.551   2.776  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.852   2.087   3.188  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.672   0.840   2.716  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.633  -4.315   0.130  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.298  -5.078   0.151  1.00  0.00           H  
HETATM   87  H   UNL     1       6.078  -0.665   0.363  1.00  0.00           H  
HETATM   88  H   UNL     1       7.851   0.991   0.751  1.00  0.00           H  
HETATM   89  H   UNL     1      13.127   4.090  -0.555  1.00  0.00           H  
HETATM   90  H   UNL     1      14.692   5.984  -0.523  1.00  0.00           H  
HETATM   91  H   UNL     1      10.322   1.227   1.324  1.00  0.00           H  
HETATM   92  H   UNL     1       4.859  -1.996   0.051  1.00  0.00           H  
HETATM   93  H   UNL     1       2.127  -5.304   2.916  1.00  0.00           H  
HETATM   94  H   UNL     1       0.721  -4.628   2.291  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.070   0.199  -0.005  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.946  -0.366  -0.336  1.00  0.00           H  
HETATM   97  H   UNL     1      17.551   6.077   0.367  1.00  0.00           H  
HETATM   98  H   UNL     1     -16.745   3.687   0.819  1.00  0.00           H  
HETATM   99  H   UNL     1     -15.042  -0.264  -1.597  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.993   3.614   0.719  1.00  0.00           H  
CONECT    1   16   16   17   63                                       
CONECT    2   17   61   61   46                                       
CONECT    3   46   18    4   64                                       
CONECT    4   48    3   60   60                                       
CONECT    5   21   21   20   65                                       
CONECT    6   21   22   39   39                                       
CONECT    7   51    8    8   44                                       
CONECT    8    7    7    9   66                                       
CONECT    9    8   10   10   67                                       
CONECT   10    9    9   43   11                                       
CONECT   11   10   12   12   68                                       
CONECT   12   11   11   14   13                                       
CONECT   13   12   69   70   71                                       
CONECT   14   12   45   62   62                                       
CONECT   15   16   45   42   42                                       
CONECT   16    1    1   15   72                                       
CONECT   17    1    2   41   41                                       
CONECT   18   19   19    3   73                                       
CONECT   19   47   18   18   48                                       
CONECT   20    5   48   40   40                                       
CONECT   21    5    5    6   74                                       
CONECT   22   49    6   59   59                                       
CONECT   23   37   49   24   24                                       
CONECT   24   23   23   25   75                                       
CONECT   25   26   26   24   76                                       
CONECT   26   36   27   25   25                                       
CONECT   27   50   26   56   56                                       
CONECT   28   34   50   29   29                                       
CONECT   29   28   28   30   77                                       
CONECT   30   31   31   29   78                                       
CONECT   31   33   32   30   30                                       
CONECT   32   52   52   31   53                                       
CONECT   33   54   34   34   31                                       
CONECT   34   55   33   33   28                                       
CONECT   35   55   79   80   81                                       
CONECT   36   57   37   37   26                                       
CONECT   37   58   36   36   23                                       
CONECT   38   58   82   83   84                                       
CONECT   39    6    6   40   85                                       
CONECT   40   20   20   39   86                                       
CONECT   41   17   17   42   87                                       
CONECT   42   15   15   41   88                                       
CONECT   43   44   44   10   89                                       
CONECT   44    7   43   43   90                                       
CONECT   45   15   14   91                                            
CONECT   46    2    3   92                                            
CONECT   47   19   93   94                                            
CONECT   48   19   20    4                                            
CONECT   49   23   22   95                                            
CONECT   50   28   27   96                                            
CONECT   51    7   97                                                 
CONECT   52   32   32                                                 
CONECT   53   32   98                                                 
CONECT   54   33   99                                                 
CONECT   55   35   34                                                 
CONECT   56   27   27                                                 
CONECT   57   36  100                                                 
CONECT   58   37   38                                                 
CONECT   59   22   22                                                 
CONECT   60    4    4                                                 
CONECT   61    2    2                                                 
CONECT   62   14   14                                                 
CONECT   63    1                                                      
CONECT   64    3                                                      
CONECT   65    5                                                      
CONECT   66    8                                                      
CONECT   67    9                                                      
CONECT   68   11                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   13                                                      
CONECT   72   16                                                      
CONECT   73   18                                                      
CONECT   74   21                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   41                                                      
CONECT   88   42                                                      
CONECT   89   43                                                      
CONECT   90   44                                                      
CONECT   91   45                                                      
CONECT   92   46                                                      
CONECT   93   47                                                      
CONECT   94   47                                                      
CONECT   95   49                                                      
CONECT   96   50                                                      
CONECT   97   51                                                      
CONECT   98   53                                                      
CONECT   99   54                                                      
CONECT  100   57                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
