COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.080  -0.649   2.633  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.316   0.450   3.132  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.376  -0.126   2.009  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.057   0.767   0.889  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.167   0.644   3.071  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.445   1.010   2.549  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.351  -0.259   4.296  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.956   0.486   5.355  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.982  -0.771   4.747  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.385  -1.540   3.704  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.153  -1.647   5.990  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.878  -2.148   6.399  1.00  0.00           O  
HETATM   13  C   UNL     1       3.893   0.370   3.563  1.00  0.00           C  
HETATM   14  N   UNL     1       5.245  -0.139   3.831  1.00  0.00           N  
HETATM   15  C   UNL     1       3.033   0.221   4.819  1.00  0.00           C  
HETATM   16  C   UNL     1       1.625   0.752   4.539  1.00  0.00           C  
HETATM   17  N   UNL     1       0.799   0.609   5.745  1.00  0.00           N  
HETATM   18  C   UNL     1       0.998  -0.045   3.394  1.00  0.00           C  
HETATM   19  C   UNL     1       1.858   0.103   2.137  1.00  0.00           C  
HETATM   20  O   UNL     1       1.273  -0.641   1.068  1.00  0.00           O  
HETATM   21  C   UNL     1       3.266  -0.427   2.418  1.00  0.00           C  
HETATM   22  O   UNL     1       4.070  -0.288   1.244  1.00  0.00           O  
HETATM   23  C   UNL     1       1.618   0.032  -0.142  1.00  0.00           C  
HETATM   24  C   UNL     1       1.022  -0.708  -1.360  1.00  0.00           C  
HETATM   25  O   UNL     1       2.006  -1.547  -1.969  1.00  0.00           O  
HETATM   26  C   UNL     1       0.607   0.425  -2.323  1.00  0.00           C  
HETATM   27  O   UNL     1       1.323   0.323  -3.556  1.00  0.00           O  
HETATM   28  C   UNL     1       0.998   1.719  -1.576  1.00  0.00           C  
HETATM   29  O   UNL     1       1.017   1.345  -0.179  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.038   2.818  -1.819  1.00  0.00           C  
HETATM   31  O   UNL     1       0.308   3.977  -1.059  1.00  0.00           O  
HETATM   32  C   UNL     1       0.504  -0.436  -4.447  1.00  0.00           C  
HETATM   33  C   UNL     1       1.222  -0.588  -5.790  1.00  0.00           C  
HETATM   34  N   UNL     1       1.444   0.737  -6.382  1.00  0.00           N  
HETATM   35  C   UNL     1       0.352  -1.432  -6.729  1.00  0.00           C  
HETATM   36  O   UNL     1       0.254  -2.765  -6.223  1.00  0.00           O  
HETATM   37  C   UNL     1      -1.042  -0.800  -6.802  1.00  0.00           C  
HETATM   38  O   UNL     1      -0.955   0.476  -7.439  1.00  0.00           O  
HETATM   39  C   UNL     1      -1.589  -0.633  -5.383  1.00  0.00           C  
HETATM   40  O   UNL     1      -0.738   0.235  -4.638  1.00  0.00           O  
HETATM   41  C   UNL     1      -2.996  -0.036  -5.448  1.00  0.00           C  
HETATM   42  N   UNL     1      -3.524   0.121  -4.086  1.00  0.00           N  
HETATM   43  H   UNL     1      -0.501  -1.178   1.876  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.971  -0.965   1.649  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.539   0.219   0.219  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.933   1.008   0.451  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.618   1.541   3.357  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.911   1.481   3.254  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.988  -1.103   4.034  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.046  -0.117   6.105  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.338   0.074   4.987  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.586  -1.055   6.796  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.814  -2.483   5.758  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.039  -2.750   7.139  1.00  0.00           H  
HETATM   55  H   UNL     1       3.950   1.422   3.284  1.00  0.00           H  
HETATM   56  H   UNL     1       5.617   0.413   4.589  1.00  0.00           H  
HETATM   57  H   UNL     1       5.136  -1.078   4.184  1.00  0.00           H  
HETATM   58  H   UNL     1       2.976  -0.830   5.098  1.00  0.00           H  
HETATM   59  H   UNL     1       3.480   0.789   5.635  1.00  0.00           H  
HETATM   60  H   UNL     1       1.682   1.804   4.260  1.00  0.00           H  
HETATM   61  H   UNL     1       1.292   1.077   6.491  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.045   1.135   5.582  1.00  0.00           H  
HETATM   63  H   UNL     1       0.941  -1.097   3.673  1.00  0.00           H  
HETATM   64  H   UNL     1       1.916   1.155   1.859  1.00  0.00           H  
HETATM   65  H   UNL     1       3.209  -1.479   2.696  1.00  0.00           H  
HETATM   66  H   UNL     1       4.946  -0.633   1.463  1.00  0.00           H  
HETATM   67  H   UNL     1       2.701   0.109  -0.238  1.00  0.00           H  
HETATM   68  H   UNL     1       0.153  -1.294  -1.062  1.00  0.00           H  
HETATM   69  H   UNL     1       2.226  -2.233  -1.324  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.467   0.398  -2.504  1.00  0.00           H  
HETATM   71  H   UNL     1       1.986   2.055  -1.892  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.058   3.070  -2.879  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.022   2.463  -1.511  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.368   4.643  -1.241  1.00  0.00           H  
HETATM   75  H   UNL     1       0.321  -1.422  -4.020  1.00  0.00           H  
HETATM   76  H   UNL     1       2.181  -1.084  -5.637  1.00  0.00           H  
HETATM   77  H   UNL     1       2.013   1.255  -5.728  1.00  0.00           H  
HETATM   78  H   UNL     1       2.008   0.595  -7.207  1.00  0.00           H  
HETATM   79  H   UNL     1       0.799  -1.450  -7.723  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.299  -3.259  -6.842  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.706  -1.448  -7.374  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.601   0.322  -8.326  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.631  -1.606  -4.894  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.647  -0.700  -6.015  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.955   0.937  -5.937  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.448   0.516  -4.177  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.641  -0.807  -3.711  1.00  0.00           H  
CONECT    1    2    3   10   43                                       
CONECT    2    1   18                                                 
CONECT    3    1    4    5   44                                       
CONECT    4    3   45   46                                            
CONECT    5    3    6    7   47                                       
CONECT    6    5   48                                                 
CONECT    7    5    8    9   49                                       
CONECT    8    7   50                                                 
CONECT    9    7   10   11   51                                       
CONECT   10    1    9                                                 
CONECT   11    9   12   52   53                                       
CONECT   12   11   54                                                 
CONECT   13   14   15   21   55                                       
CONECT   14   13   56   57                                            
CONECT   15   13   16   58   59                                       
CONECT   16   15   17   18   60                                       
CONECT   17   16   61   62                                            
CONECT   18    2   16   19   63                                       
CONECT   19   18   20   21   64                                       
CONECT   20   19   23                                                 
CONECT   21   13   19   22   65                                       
CONECT   22   21   66                                                 
CONECT   23   20   24   29   67                                       
CONECT   24   23   25   26   68                                       
CONECT   25   24   69                                                 
CONECT   26   24   27   28   70                                       
CONECT   27   26   32                                                 
CONECT   28   26   29   30   71                                       
CONECT   29   23   28                                                 
CONECT   30   28   31   72   73                                       
CONECT   31   30   74                                                 
CONECT   32   27   33   40   75                                       
CONECT   33   32   34   35   76                                       
CONECT   34   33   77   78                                            
CONECT   35   33   36   37   79                                       
CONECT   36   35   80                                                 
CONECT   37   35   38   39   81                                       
CONECT   38   37   82                                                 
CONECT   39   37   40   41   83                                       
CONECT   40   32   39                                                 
CONECT   41   39   42   84   85                                       
CONECT   42   41   86   87                                            
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   28                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   41                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   42                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
