COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.072   3.095  -1.950  1.00  0.00           O  
HETATM    2  C   UNL     1       2.628   2.915  -0.892  1.00  0.00           C  
HETATM    3  C   UNL     1       3.535   3.978  -0.328  1.00  0.00           C  
HETATM    4  O   UNL     1       2.432   1.772  -0.217  1.00  0.00           O  
HETATM    5  C   UNL     1       1.541   0.785  -0.827  1.00  0.00           C  
HETATM    6  C   UNL     1       0.124   1.348  -0.659  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.081   1.751   0.722  1.00  0.00           O  
HETATM    8  C   UNL     1       0.193   3.029   1.031  1.00  0.00           C  
HETATM    9  O   UNL     1       0.688   3.757   0.204  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.116   3.553   2.409  1.00  0.00           C  
HETATM   11  C   UNL     1       1.766  -0.562  -0.163  1.00  0.00           C  
HETATM   12  C   UNL     1       3.125  -1.154  -0.557  1.00  0.00           C  
HETATM   13  C   UNL     1       3.145  -1.494  -2.049  1.00  0.00           C  
HETATM   14  C   UNL     1       4.229  -0.135  -0.251  1.00  0.00           C  
HETATM   15  O   UNL     1       4.135   0.287   1.135  1.00  0.00           O  
HETATM   16  C   UNL     1       4.720   1.451   1.459  1.00  0.00           C  
HETATM   17  C   UNL     1       4.547   2.021   2.843  1.00  0.00           C  
HETATM   18  O   UNL     1       5.385   2.041   0.641  1.00  0.00           O  
HETATM   19  C   UNL     1       5.612  -0.738  -0.486  1.00  0.00           C  
HETATM   20  O   UNL     1       6.212  -1.378   0.651  1.00  0.00           O  
HETATM   21  C   UNL     1       5.824  -2.240  -0.411  1.00  0.00           C  
HETATM   22  C   UNL     1       4.626  -3.158  -0.254  1.00  0.00           C  
HETATM   23  C   UNL     1       3.405  -2.409   0.280  1.00  0.00           C  
HETATM   24  C   UNL     1       2.218  -3.341   0.202  1.00  0.00           C  
HETATM   25  O   UNL     1       2.367  -4.508  -0.069  1.00  0.00           O  
HETATM   26  C   UNL     1       0.839  -2.788   0.470  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.131  -3.792   0.163  1.00  0.00           O  
HETATM   28  C   UNL     1       0.636  -1.565  -0.442  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.677  -0.899  -0.092  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.901   0.306  -1.058  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.754  -0.086  -2.527  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.949  -1.742  -0.244  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.294  -2.356   0.995  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.012  -0.749  -0.697  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.348   0.646  -0.723  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.398  -0.777  -0.180  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.012  -2.140  -0.614  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.662  -0.616   1.313  1.00  0.00           C  
HETATM   39  O   UNL     1      -4.844  -1.911   1.919  1.00  0.00           O  
HETATM   40  C   UNL     1      -3.598   0.152   2.086  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.987   0.132   1.374  1.00  0.00           C  
HETATM   42  O   UNL     1      -6.642   0.278   2.386  1.00  0.00           O  
HETATM   43  O   UNL     1      -6.310   0.598   0.166  1.00  0.00           O  
HETATM   44  C   UNL     1      -5.270   0.330  -0.829  1.00  0.00           C  
HETATM   45  O   UNL     1      -5.843  -0.140  -2.065  1.00  0.00           O  
HETATM   46  C   UNL     1      -4.533   1.644  -1.058  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.155   1.463  -1.716  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.530   2.840  -1.942  1.00  0.00           C  
HETATM   49  H   UNL     1       3.492   4.865  -0.960  1.00  0.00           H  
HETATM   50  H   UNL     1       3.211   4.234   0.681  1.00  0.00           H  
HETATM   51  H   UNL     1       4.558   3.603  -0.297  1.00  0.00           H  
HETATM   52  H   UNL     1       1.781   0.736  -1.888  1.00  0.00           H  
HETATM   53  H   UNL     1       0.022   2.230  -1.303  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.555   2.758   3.011  1.00  0.00           H  
HETATM   55  H   UNL     1       0.804   3.901   2.881  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.820   4.382   2.333  1.00  0.00           H  
HETATM   57  H   UNL     1       1.788  -0.400   0.925  1.00  0.00           H  
HETATM   58  H   UNL     1       2.970  -0.589  -2.630  1.00  0.00           H  
HETATM   59  H   UNL     1       4.116  -1.914  -2.313  1.00  0.00           H  
HETATM   60  H   UNL     1       2.364  -2.223  -2.266  1.00  0.00           H  
HETATM   61  H   UNL     1       4.126   0.725  -0.912  1.00  0.00           H  
HETATM   62  H   UNL     1       3.920   1.355   3.435  1.00  0.00           H  
HETATM   63  H   UNL     1       5.522   2.121   3.319  1.00  0.00           H  
HETATM   64  H   UNL     1       4.073   3.001   2.775  1.00  0.00           H  
HETATM   65  H   UNL     1       6.267  -0.165  -1.143  1.00  0.00           H  
HETATM   66  H   UNL     1       6.633  -2.644  -1.022  1.00  0.00           H  
HETATM   67  H   UNL     1       4.400  -3.636  -1.204  1.00  0.00           H  
HETATM   68  H   UNL     1       4.890  -3.948   0.461  1.00  0.00           H  
HETATM   69  H   UNL     1       3.575  -2.123   1.323  1.00  0.00           H  
HETATM   70  H   UNL     1       0.752  -2.489   1.512  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.056  -4.590   0.705  1.00  0.00           H  
HETATM   72  H   UNL     1       0.645  -1.897  -1.475  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.623  -0.531   0.939  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.470  -0.872  -2.766  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.946   0.784  -3.155  1.00  0.00           H  
HETATM   76  H   UNL     1       0.258  -0.448  -2.707  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.803  -2.506  -1.013  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.622  -2.964   1.333  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.151  -1.003  -1.779  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.365   1.151   0.244  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.081  -2.141  -0.401  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.854  -2.287  -1.682  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.532  -2.948  -0.062  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.015  -1.879   2.870  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.509   1.159   1.679  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.883   0.209   3.137  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.641  -0.362   1.996  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.439   0.492  -2.488  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.140   2.275  -1.708  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.399   2.150  -0.105  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.268   0.935  -2.659  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.417   3.350  -0.985  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.551   2.723  -2.408  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.174   3.430  -2.594  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    4    1    1                                       
CONECT    3    2   49   50   51                                       
CONECT    4    5    2                                                 
CONECT    5    6   11    4   52                                       
CONECT    6   30    7    5   53                                       
CONECT    7    6    8                                                 
CONECT    8    7   10    9    9                                       
CONECT    9    8    8                                                 
CONECT   10    8   54   55   56                                       
CONECT   11   28    5   12   57                                       
CONECT   12   11   13   23   14                                       
CONECT   13   12   58   59   60                                       
CONECT   14   12   15   19   61                                       
CONECT   15   14   16                                                 
CONECT   16   15   18   18   17                                       
CONECT   17   16   62   63   64                                       
CONECT   18   16   16                                                 
CONECT   19   14   21   20   65                                       
CONECT   20   21   19                                                 
CONECT   21   22   19   20   66                                       
CONECT   22   23   21   67   68                                       
CONECT   23   24   12   22   69                                       
CONECT   24   26   25   25   23                                       
CONECT   25   24   24                                                 
CONECT   26   27   28   24   70                                       
CONECT   27   26   71                                                 
CONECT   28   29   26   11   72                                       
CONECT   29   32   30   28   73                                       
CONECT   30   35   31   29    6                                       
CONECT   31   30   74   75   76                                       
CONECT   32   34   33   29   77                                       
CONECT   33   32   78                                                 
CONECT   34   36   32   35   79                                       
CONECT   35   34   47   30   80                                       
CONECT   36   37   44   38   34                                       
CONECT   37   36   81   82   83                                       
CONECT   38   41   36   39   40                                       
CONECT   39   38   84                                                 
CONECT   40   38   85   86   87                                       
CONECT   41   43   42   42   38                                       
CONECT   42   41   41                                                 
CONECT   43   41   44                                                 
CONECT   44   45   43   36   46                                       
CONECT   45   44   88                                                 
CONECT   46   44   47   89   90                                       
CONECT   47   46   35   48   91                                       
CONECT   48   47   92   93   94                                       
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   19                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   31                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   40                                                      
CONECT   87   40                                                      
CONECT   88   45                                                      
CONECT   89   46                                                      
CONECT   90   46                                                      
CONECT   91   47                                                      
CONECT   92   48                                                      
CONECT   93   48                                                      
CONECT   94   48                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
