COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.076  -0.460   0.507  1.00  0.00           C  
HETATM    2  O   UNL     1       6.744   1.028   0.629  1.00  0.00           O  
HETATM    3  C   UNL     1      -5.131   0.098   0.270  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.064  -1.380   0.442  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.749  -2.040   0.069  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.637  -1.016  -0.144  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.375  -1.639  -0.655  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.231  -2.443  -1.717  1.00  0.00           O  
HETATM    9  N   UNL     1      -2.305  -0.442   1.164  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.967  -0.522   1.324  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.422  -0.050   2.305  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.357  -1.226   0.204  1.00  0.00           C  
HETATM   13  C   UNL     1       1.067  -1.398  -0.106  1.00  0.00           C  
HETATM   14  O   UNL     1       1.399  -2.291  -0.872  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.288   0.813  -0.429  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.148   0.081  -1.091  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.057   0.969  -1.624  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.582   2.171  -0.867  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.998   2.266   0.592  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.574   3.624   1.156  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.066   2.378  -0.973  1.00  0.00           C  
HETATM   22  C   UNL     1       0.713   1.071  -0.942  1.00  0.00           C  
HETATM   23  C   UNL     1       1.586   0.980   0.320  1.00  0.00           C  
HETATM   24  C   UNL     1       2.769   1.926   0.105  1.00  0.00           C  
HETATM   25  C   UNL     1       3.954   1.592   0.998  1.00  0.00           C  
HETATM   26  C   UNL     1       4.474   0.194   0.701  1.00  0.00           C  
HETATM   27  C   UNL     1       2.194  -0.780   2.003  1.00  0.00           C  
HETATM   28  C   UNL     1       3.950  -2.048  -0.192  1.00  0.00           C  
HETATM   29  C   UNL     1       5.291  -2.067  -0.944  1.00  0.00           C  
HETATM   30  C   UNL     1       6.312  -1.193  -0.219  1.00  0.00           C  
HETATM   31  C   UNL     1       5.789   0.240  -0.084  1.00  0.00           C  
HETATM   32  O   UNL     1       0.222   3.071  -2.192  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.774  -0.630  -2.321  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.389  -1.718   1.900  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.254   0.832   0.954  1.00  0.00           C  
HETATM   36  C   UNL     1       3.455  -0.607  -0.127  1.00  0.00           C  
HETATM   37  H   UNL     1       7.602   1.100   0.189  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.852  -1.824  -0.181  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.448  -2.694   0.905  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.871  -2.678  -0.801  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.338  -2.761  -1.910  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.929  -0.081   1.810  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.425   1.870  -0.543  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.218   0.345  -1.959  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.446   1.359  -2.607  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.034   3.066  -1.368  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.080   2.162   0.669  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.515   1.470   1.160  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.486   3.680   1.190  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.959   4.418   0.517  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.975   3.741   2.163  1.00  0.00           H  
HETATM   52  H   UNL     1       0.257   3.006  -0.134  1.00  0.00           H  
HETATM   53  H   UNL     1       0.056   0.229  -1.023  1.00  0.00           H  
HETATM   54  H   UNL     1       1.388   1.057  -1.814  1.00  0.00           H  
HETATM   55  H   UNL     1       1.009   1.294   1.185  1.00  0.00           H  
HETATM   56  H   UNL     1       3.080   1.871  -0.941  1.00  0.00           H  
HETATM   57  H   UNL     1       2.443   2.949   0.311  1.00  0.00           H  
HETATM   58  H   UNL     1       4.751   2.321   0.818  1.00  0.00           H  
HETATM   59  H   UNL     1       3.658   1.663   2.045  1.00  0.00           H  
HETATM   60  H   UNL     1       4.674  -0.336   1.635  1.00  0.00           H  
HETATM   61  H   UNL     1       2.759  -1.703   2.134  1.00  0.00           H  
HETATM   62  H   UNL     1       2.709   0.036   2.510  1.00  0.00           H  
HETATM   63  H   UNL     1       1.197  -0.900   2.429  1.00  0.00           H  
HETATM   64  H   UNL     1       3.249  -2.681  -0.726  1.00  0.00           H  
HETATM   65  H   UNL     1       4.103  -2.435   0.815  1.00  0.00           H  
HETATM   66  H   UNL     1       5.659  -3.092  -0.991  1.00  0.00           H  
HETATM   67  H   UNL     1       5.141  -1.688  -1.954  1.00  0.00           H  
HETATM   68  H   UNL     1       6.494  -1.602   0.776  1.00  0.00           H  
HETATM   69  H   UNL     1       7.246  -1.184  -0.780  1.00  0.00           H  
HETATM   70  H   UNL     1       5.615   0.665  -1.069  1.00  0.00           H  
HETATM   71  H   UNL     1       1.164   3.242  -2.335  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.595  -1.268  -1.993  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.150   0.117  -3.020  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.016  -1.239  -2.813  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.391  -1.361   2.141  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.344  -2.798   2.041  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.664  -1.235   2.555  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.937   1.132   1.953  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.516   1.717   0.375  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.123   0.178   1.030  1.00  0.00           H  
HETATM   81  H   UNL     1       3.435  -0.187  -1.136  1.00  0.00           H  
CONECT    1   27   23   13   36                                       
CONECT    2   31   37                                                 
CONECT    3   35    4   15   15                                       
CONECT    4   34    3    5   38                                       
CONECT    5    4    6   39   40                                       
CONECT    6    9    5   16    7                                       
CONECT    7    6   12   12    8                                       
CONECT    8    7   41                                                 
CONECT    9   10    6   42                                            
CONECT   10   11   11    9   12                                       
CONECT   11   10   10                                                 
CONECT   12   10    7    7   13                                       
CONECT   13   12    1   14   14                                       
CONECT   14   13   13                                                 
CONECT   15    3    3   16   43                                       
CONECT   16   15    6   17   33                                       
CONECT   17   16   18   44   45                                       
CONECT   18   17   21   19   46                                       
CONECT   19   18   20   47   48                                       
CONECT   20   19   49   50   51                                       
CONECT   21   32   18   22   52                                       
CONECT   22   21   23   53   54                                       
CONECT   23   24    1   22   55                                       
CONECT   24   23   25   56   57                                       
CONECT   25   24   26   58   59                                       
CONECT   26   25   36   31   60                                       
CONECT   27    1   61   62   63                                       
CONECT   28   36   29   64   65                                       
CONECT   29   28   30   66   67                                       
CONECT   30   31   29   68   69                                       
CONECT   31   26    2   30   70                                       
CONECT   32   21   71                                                 
CONECT   33   16   72   73   74                                       
CONECT   34    4   75   76   77                                       
CONECT   35    3   78   79   80                                       
CONECT   36    1   26   28   81                                       
CONECT   37    2                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
