COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.543  -0.277  -0.415  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.225   0.221   0.843  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.603  -0.488   2.050  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.923   0.267   3.340  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.583   0.837   3.867  1.00  0.00           C  
HETATM    6  C   UNL     1       0.103  -0.506   4.239  1.00  0.00           C  
HETATM    7  C   UNL     1       0.540  -1.129   2.922  1.00  0.00           C  
HETATM    8  C   UNL     1       2.021  -0.913   2.620  1.00  0.00           C  
HETATM    9  C   UNL     1       2.220  -0.782   1.127  1.00  0.00           C  
HETATM   10  C   UNL     1       3.396  -0.469   0.655  1.00  0.00           C  
HETATM   11  C   UNL     1       3.638  -0.394  -0.830  1.00  0.00           C  
HETATM   12  C   UNL     1       3.106   0.924  -1.383  1.00  0.00           C  
HETATM   13  C   UNL     1       2.462   0.707  -2.756  1.00  0.00           C  
HETATM   14  C   UNL     1       1.808   2.014  -3.208  1.00  0.00           C  
HETATM   15  C   UNL     1       0.442   1.724  -3.843  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.667   2.276  -2.960  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.571   1.199  -2.374  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.714  -0.127   0.751  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.565   1.508   4.350  1.00  0.00           C  
HETATM   20  C   UNL     1       1.221  -0.282   5.244  1.00  0.00           C  
HETATM   21  C   UNL     1       2.813  -2.148   3.081  1.00  0.00           C  
HETATM   22  C   UNL     1       3.953  -2.564  -1.510  1.00  0.00           C  
HETATM   23  C   UNL     1       4.270   2.570  -0.280  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.970   0.177  -3.403  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.191  -0.947  -3.598  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.558  -1.886  -4.543  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.704  -1.700  -5.294  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.483  -0.575  -5.098  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.118   0.361  -4.149  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.568  -1.461  -0.637  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.241  -1.785   2.146  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.848   1.332   3.126  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.779   1.652   5.019  1.00  0.00           O  
HETATM   34  O   UNL     1      -0.236  -0.686   1.846  1.00  0.00           O  
HETATM   35  O   UNL     1       2.999  -1.500  -1.473  1.00  0.00           O  
HETATM   36  O   UNL     1       4.183   1.860  -1.517  1.00  0.00           O  
HETATM   37  O   UNL     1      -0.954   0.579  -1.234  1.00  0.00           O  
HETATM   38  H   UNL     1      -2.098   1.295   0.922  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.338  -0.429   4.081  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.035   1.354   3.086  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.659  -1.155   4.700  1.00  0.00           H  
HETATM   42  H   UNL     1       0.391  -2.225   3.016  1.00  0.00           H  
HETATM   43  H   UNL     1       2.415  -0.027   3.096  1.00  0.00           H  
HETATM   44  H   UNL     1       1.389  -0.936   0.456  1.00  0.00           H  
HETATM   45  H   UNL     1       4.209  -0.253   1.336  1.00  0.00           H  
HETATM   46  H   UNL     1       4.713  -0.459  -1.019  1.00  0.00           H  
HETATM   47  H   UNL     1       2.363   1.344  -0.706  1.00  0.00           H  
HETATM   48  H   UNL     1       3.229   0.420  -3.484  1.00  0.00           H  
HETATM   49  H   UNL     1       1.708  -0.072  -2.696  1.00  0.00           H  
HETATM   50  H   UNL     1       1.674   2.664  -2.339  1.00  0.00           H  
HETATM   51  H   UNL     1       2.447   2.512  -3.943  1.00  0.00           H  
HETATM   52  H   UNL     1       0.408   2.245  -4.812  1.00  0.00           H  
HETATM   53  H   UNL     1       0.357   0.659  -4.026  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.218   2.843  -2.130  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.267   2.979  -3.543  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.504   1.699  -2.046  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.147   0.354  -0.125  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.830  -1.207   0.665  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.226   0.222   1.648  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.288   2.316   4.234  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.088   0.585   4.600  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.866   1.758   5.148  1.00  0.00           H  
HETATM   63  H   UNL     1       0.812   0.164   6.150  1.00  0.00           H  
HETATM   64  H   UNL     1       1.687  -1.237   5.488  1.00  0.00           H  
HETATM   65  H   UNL     1       1.967   0.386   4.814  1.00  0.00           H  
HETATM   66  H   UNL     1       3.872  -2.002   2.869  1.00  0.00           H  
HETATM   67  H   UNL     1       2.673  -2.290   4.153  1.00  0.00           H  
HETATM   68  H   UNL     1       2.454  -3.029   2.549  1.00  0.00           H  
HETATM   69  H   UNL     1       3.508  -3.433  -1.995  1.00  0.00           H  
HETATM   70  H   UNL     1       4.831  -2.245  -2.071  1.00  0.00           H  
HETATM   71  H   UNL     1       4.246  -2.824  -0.493  1.00  0.00           H  
HETATM   72  H   UNL     1       5.021   3.356  -0.364  1.00  0.00           H  
HETATM   73  H   UNL     1       3.303   3.014  -0.047  1.00  0.00           H  
HETATM   74  H   UNL     1       4.555   1.880   0.514  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.296  -1.093  -3.011  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.949  -2.765  -4.696  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.990  -2.433  -6.033  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.378  -0.429  -5.685  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.727   1.240  -3.997  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.057  -2.250   1.318  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.207   2.465   4.717  1.00  0.00           H  
CONECT    1    2   30   30   37                                       
CONECT    2    1    3   18   38                                       
CONECT    3    2    4   31   34                                       
CONECT    4    3    5   32   39                                       
CONECT    5    4    6   33   40                                       
CONECT    6    5    7   20   41                                       
CONECT    7    6    8   34   42                                       
CONECT    8    7    9   21   43                                       
CONECT    9    8   10   10   44                                       
CONECT   10    9    9   11   45                                       
CONECT   11   10   12   35   46                                       
CONECT   12   11   13   36   47                                       
CONECT   13   12   14   48   49                                       
CONECT   14   13   15   50   51                                       
CONECT   15   14   16   52   53                                       
CONECT   16   15   17   54   55                                       
CONECT   17   16   24   37   56                                       
CONECT   18    2   57   58   59                                       
CONECT   19   32   60   61   62                                       
CONECT   20    6   63   64   65                                       
CONECT   21    8   66   67   68                                       
CONECT   22   35   69   70   71                                       
CONECT   23   36   72   73   74                                       
CONECT   24   17   25   25   29                                       
CONECT   25   24   24   26   75                                       
CONECT   26   25   27   27   76                                       
CONECT   27   26   26   28   77                                       
CONECT   28   27   29   29   78                                       
CONECT   29   24   28   28   79                                       
CONECT   30    1    1                                                 
CONECT   31    3   80                                                 
CONECT   32    4   19                                                 
CONECT   33    5   81                                                 
CONECT   34    3    7                                                 
CONECT   35   11   22                                                 
CONECT   36   12   23                                                 
CONECT   37    1   17                                                 
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   31                                                      
CONECT   81   33                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
