COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.396  -0.572   0.493  1.00  0.00           N  
HETATM    2  N   UNL     1       3.210   0.187   0.246  1.00  0.00           N  
HETATM    3  C   UNL     1       0.947  -0.365   1.081  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.344   0.355   0.249  1.00  0.00           C  
HETATM    5  C   UNL     1       1.997  -0.349   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.626  -0.041  -0.438  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.435   0.028  -1.954  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.025   1.447  -2.352  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.982   0.472  -0.089  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.555  -0.334   1.137  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.274   2.016   0.689  1.00  0.00           C  
HETATM   12  C   UNL     1       5.215   1.343  -0.542  1.00  0.00           C  
HETATM   13  C   UNL     1       4.488   2.684  -0.664  1.00  0.00           C  
HETATM   14  C   UNL     1       3.465   2.834   0.440  1.00  0.00           C  
HETATM   15  C   UNL     1       5.470   3.856  -0.433  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.039  -2.067   2.836  1.00  0.00           C  
HETATM   17  C   UNL     1       0.256  -2.939   4.058  1.00  0.00           C  
HETATM   18  C   UNL     1       1.155  -1.576   2.015  1.00  0.00           C  
HETATM   19  C   UNL     1       0.226  -2.674   1.457  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.460  -2.028   0.228  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.697   0.875  -0.038  1.00  0.00           N  
HETATM   22  C   UNL     1       4.230   0.203  -0.805  1.00  0.00           C  
HETATM   23  O   UNL     1       1.752  -0.817  -1.091  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.165   1.507   0.582  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.341  -0.956  -2.375  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.746  -0.339  -2.651  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.967   1.316   0.278  1.00  0.00           N  
HETATM   28  C   UNL     1      -7.364   0.878   0.223  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.253  -0.651  -0.466  1.00  0.00           O  
HETATM   30  C   UNL     1      -7.723   0.495  -1.214  1.00  0.00           C  
HETATM   31  C   UNL     1       4.982  -1.130  -0.806  1.00  0.00           C  
HETATM   32  C   UNL     1       4.011  -2.254  -1.065  1.00  0.00           C  
HETATM   33  N   UNL     1       3.375  -2.335  -2.250  1.00  0.00           N  
HETATM   34  N   UNL     1       3.935   3.651   1.398  1.00  0.00           N  
HETATM   35  C   UNL     1       5.285   4.128   1.076  1.00  0.00           C  
HETATM   36  O   UNL     1       3.802  -3.085  -0.206  1.00  0.00           O  
HETATM   37  O   UNL     1       5.608  -1.325   0.464  1.00  0.00           O  
HETATM   38  O   UNL     1       2.378   2.295   0.458  1.00  0.00           O  
HETATM   39  C   UNL     1       2.432  -3.428  -2.502  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.236  -1.124   2.973  1.00  0.00           C  
HETATM   41  H   UNL     1       3.406   0.562   1.119  1.00  0.00           H  
HETATM   42  H   UNL     1       0.974   0.565   1.650  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.892  -1.059  -0.151  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.091   1.708  -1.856  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.889   1.496  -3.433  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.804   2.148  -2.052  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.595  -0.660   1.096  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.907  -1.145   0.805  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.300  -0.061   2.161  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.019   2.289   1.713  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.138   2.880   0.038  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.314   1.691   0.649  1.00  0.00           H  
HETATM   53  H   UNL     1       6.024   1.301  -1.272  1.00  0.00           H  
HETATM   54  H   UNL     1       5.627   1.244   0.462  1.00  0.00           H  
HETATM   55  H   UNL     1       4.011   2.770  -1.640  1.00  0.00           H  
HETATM   56  H   UNL     1       6.495   3.555  -0.652  1.00  0.00           H  
HETATM   57  H   UNL     1       5.185   4.726  -1.024  1.00  0.00           H  
HETATM   58  H   UNL     1       0.879  -2.383   4.759  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.681  -3.213   4.544  1.00  0.00           H  
HETATM   60  H   UNL     1       0.780  -3.841   3.743  1.00  0.00           H  
HETATM   61  H   UNL     1       2.167  -1.775   2.367  1.00  0.00           H  
HETATM   62  H   UNL     1       0.523  -3.719   1.378  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.497  -2.354   0.157  1.00  0.00           H  
HETATM   64  H   UNL     1       0.082  -2.279  -0.684  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.481   1.772   0.262  1.00  0.00           H  
HETATM   66  H   UNL     1       3.752   0.351  -1.773  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.651  -1.971  -2.129  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.176  -0.877  -3.450  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.417  -0.720  -1.848  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.526   0.361  -2.351  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.610  -0.290  -3.731  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.038  -1.350  -2.367  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.752   2.212   0.579  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.762   0.169  -1.255  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.587   1.358  -1.865  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.074  -0.317  -1.546  1.00  0.00           H  
HETATM   77  H   UNL     1       5.741  -1.118  -1.588  1.00  0.00           H  
HETATM   78  H   UNL     1       3.542  -1.671  -2.937  1.00  0.00           H  
HETATM   79  H   UNL     1       3.445   3.895   2.199  1.00  0.00           H  
HETATM   80  H   UNL     1       6.028   3.576   1.653  1.00  0.00           H  
HETATM   81  H   UNL     1       5.366   5.196   1.280  1.00  0.00           H  
HETATM   82  H   UNL     1       4.991  -1.346   1.208  1.00  0.00           H  
HETATM   83  H   UNL     1       2.020  -3.328  -3.507  1.00  0.00           H  
HETATM   84  H   UNL     1       2.950  -4.382  -2.415  1.00  0.00           H  
HETATM   85  H   UNL     1       1.624  -3.385  -1.772  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.916  -0.198   3.450  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.639  -0.903   1.984  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.006  -1.599   3.581  1.00  0.00           H  
CONECT    1   20    4    3                                            
CONECT    2    5   22   41                                            
CONECT    3   18    1    5   42                                       
CONECT    4    6    1   24   24                                       
CONECT    5   23   23    3    2                                       
CONECT    6    7   21    4   43                                       
CONECT    7   26   25    6    8                                       
CONECT    8    7   44   45   46                                       
CONECT    9   29   29   21   27                                       
CONECT   10   28   47   48   49                                       
CONECT   11   28   50   51   52                                       
CONECT   12   22   13   53   54                                       
CONECT   13   15   12   14   55                                       
CONECT   14   13   34   38   38                                       
CONECT   15   35   13   56   57                                       
CONECT   16   19   17   18   40                                       
CONECT   17   16   58   59   60                                       
CONECT   18   19   16    3   61                                       
CONECT   19   20   16   18   62                                       
CONECT   20   19    1   63   64                                       
CONECT   21    6    9   65                                            
CONECT   22    2   31   12   66                                       
CONECT   23    5    5                                                 
CONECT   24    4    4                                                 
CONECT   25    7   67   68   69                                       
CONECT   26    7   70   71   72                                       
CONECT   27    9   28   73                                            
CONECT   28   10   27   11   30                                       
CONECT   29    9    9                                                 
CONECT   30   28   74   75   76                                       
CONECT   31   37   22   32   77                                       
CONECT   32   33   31   36   36                                       
CONECT   33   39   32   78                                            
CONECT   34   35   14   79                                            
CONECT   35   15   34   80   81                                       
CONECT   36   32   32                                                 
CONECT   37   31   82                                                 
CONECT   38   14   14                                                 
CONECT   39   33   83   84   85                                       
CONECT   40   16   86   87   88                                       
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   37                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
