COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.747   0.787  -1.179  1.00  0.00           C  
HETATM    2  C   UNL     1       2.172   1.635  -2.380  1.00  0.00           C  
HETATM    3  C   UNL     1       3.544   2.257  -2.097  1.00  0.00           C  
HETATM    4  C   UNL     1       3.463   3.076  -0.805  1.00  0.00           C  
HETATM    5  C   UNL     1       2.988   2.171   0.335  1.00  0.00           C  
HETATM    6  C   UNL     1       2.848   2.996   1.616  1.00  0.00           C  
HETATM    7  O   UNL     1       2.254   0.810  -3.544  1.00  0.00           O  
HETATM    8  O   UNL     1       3.916   3.109  -3.181  1.00  0.00           O  
HETATM    9  O   UNL     1       4.755   3.601  -0.491  1.00  0.00           O  
HETATM   10  O   UNL     1       1.723   1.602  -0.006  1.00  0.00           O  
HETATM   11  O   UNL     1       2.480   2.138   2.698  1.00  0.00           O  
HETATM   12  C   UNL     1       0.879  -1.823  -0.493  1.00  0.00           C  
HETATM   13  C   UNL     1       2.245  -1.279  -0.070  1.00  0.00           C  
HETATM   14  C   UNL     1       3.273  -2.429  -0.018  1.00  0.00           C  
HETATM   15  C   UNL     1       4.107  -2.070   1.242  1.00  0.00           C  
HETATM   16  C   UNL     1       3.016  -1.433   2.144  1.00  0.00           C  
HETATM   17  C   UNL     1       3.651  -0.473   3.151  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.105  -0.794  -0.363  1.00  0.00           O  
HETATM   19  O   UNL     1       2.678  -0.282  -0.997  1.00  0.00           O  
HETATM   20  O   UNL     1       4.094  -2.430  -1.188  1.00  0.00           O  
HETATM   21  O   UNL     1       4.657  -3.242   1.846  1.00  0.00           O  
HETATM   22  O   UNL     1       2.157  -0.715   1.244  1.00  0.00           O  
HETATM   23  O   UNL     1       2.638   0.057   4.009  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.419  -0.080  -0.376  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.442  -1.233  -0.613  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.565  -1.734  -2.068  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.428  -3.272  -1.900  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.121  -3.481  -0.526  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.604  -4.756   0.143  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.232   0.440   0.941  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.507  -1.215  -2.876  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.120  -3.968  -2.938  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.763  -2.328   0.253  1.00  0.00           O  
HETATM   34  O   UNL     1      -2.291  -4.956   1.381  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.941   1.877   2.758  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.179   1.444   1.310  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.044   2.662   0.371  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.181   2.414  -0.657  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.252   1.744   0.245  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.188   0.872  -0.595  1.00  0.00           C  
HETATM   41  O   UNL     1      -2.973   0.729   3.609  1.00  0.00           O  
HETATM   42  O   UNL     1      -1.768   2.668  -0.273  1.00  0.00           O  
HETATM   43  O   UNL     1      -4.662   3.644  -1.202  1.00  0.00           O  
HETATM   44  O   UNL     1      -4.510   0.932   1.169  1.00  0.00           O  
HETATM   45  O   UNL     1      -7.195   0.306   0.246  1.00  0.00           O  
HETATM   46  H   UNL     1       0.753   0.376  -1.358  1.00  0.00           H  
HETATM   47  H   UNL     1       1.441   2.427  -2.544  1.00  0.00           H  
HETATM   48  H   UNL     1       4.286   1.466  -1.983  1.00  0.00           H  
HETATM   49  H   UNL     1       2.759   3.897  -0.937  1.00  0.00           H  
HETATM   50  H   UNL     1       3.715   1.374   0.494  1.00  0.00           H  
HETATM   51  H   UNL     1       2.078   3.756   1.477  1.00  0.00           H  
HETATM   52  H   UNL     1       3.798   3.479   1.843  1.00  0.00           H  
HETATM   53  H   UNL     1       1.420   0.380  -3.780  1.00  0.00           H  
HETATM   54  H   UNL     1       3.979   2.657  -4.033  1.00  0.00           H  
HETATM   55  H   UNL     1       5.120   4.180  -1.174  1.00  0.00           H  
HETATM   56  H   UNL     1       2.373   2.594   3.543  1.00  0.00           H  
HETATM   57  H   UNL     1       0.925  -2.152  -1.531  1.00  0.00           H  
HETATM   58  H   UNL     1       0.610  -2.665   0.144  1.00  0.00           H  
HETATM   59  H   UNL     1       2.774  -3.390   0.108  1.00  0.00           H  
HETATM   60  H   UNL     1       4.889  -1.349   1.003  1.00  0.00           H  
HETATM   61  H   UNL     1       2.455  -2.210   2.663  1.00  0.00           H  
HETATM   62  H   UNL     1       4.389  -1.008   3.749  1.00  0.00           H  
HETATM   63  H   UNL     1       4.139   0.343   2.618  1.00  0.00           H  
HETATM   64  H   UNL     1       4.757  -3.134  -1.203  1.00  0.00           H  
HETATM   65  H   UNL     1       5.186  -3.065   2.637  1.00  0.00           H  
HETATM   66  H   UNL     1       2.970   0.676   4.674  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.441  -0.443  -0.481  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.236   0.707  -1.107  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.536  -1.472  -2.487  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.380  -3.571  -1.860  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.202  -3.531  -0.653  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.781  -5.608  -0.512  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.535  -4.659   0.333  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.541  -1.501  -3.799  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.062  -4.931  -2.873  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.013  -5.748   1.861  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.720   2.576   3.062  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.967   2.360   2.837  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.210   3.592   0.915  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.855   1.738  -1.448  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.822   2.503   0.782  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.658   1.482  -1.366  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.615   0.072  -1.064  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.828   0.929   4.544  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.635   3.414  -0.874  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.373   3.538  -1.848  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.825  -0.260  -0.221  1.00  0.00           H  
CONECT    1   19    2   10   46                                       
CONECT    2    1    3    7   47                                       
CONECT    3    2    8    4   48                                       
CONECT    4    3    9    5   49                                       
CONECT    5    4    6   10   50                                       
CONECT    6    5   11   52   51                                       
CONECT    7    2   53                                                 
CONECT    8    3   54                                                 
CONECT    9    4   55                                                 
CONECT   10    1    5                                                 
CONECT   11    6   56                                                 
CONECT   12   13   18   58   57                                       
CONECT   13   19   12   22   14                                       
CONECT   14   13   15   20   59                                       
CONECT   15   14   21   16   60                                       
CONECT   16   22   15   17   61                                       
CONECT   17   16   23   62   63                                       
CONECT   18   12   25                                                 
CONECT   19    1   13                                                 
CONECT   20   14   64                                                 
CONECT   21   15   65                                                 
CONECT   22   13   16                                                 
CONECT   23   17   66                                                 
CONECT   24   30   25   67   68                                       
CONECT   25   18   24   33   26                                       
CONECT   26   25   31   27   69                                       
CONECT   27   26   28   32   70                                       
CONECT   28   33   27   29   71                                       
CONECT   29   28   34   72   73                                       
CONECT   30   24   36                                                 
CONECT   31   26   74                                                 
CONECT   32   27   75                                                 
CONECT   33   25   28                                                 
CONECT   34   29   76                                                 
CONECT   35   41   36   77   78                                       
CONECT   36   30   35   44   37                                       
CONECT   37   36   38   42   79                                       
CONECT   38   37   43   39   80                                       
CONECT   39   44   38   40   81                                       
CONECT   40   39   45   82   83                                       
CONECT   41   35   84                                                 
CONECT   42   37   85                                                 
CONECT   43   38   86                                                 
CONECT   44   36   39                                                 
CONECT   45   40   87                                                 
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   43                                                      
CONECT   87   45                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
