COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 NI   UNL     1       0.029   0.196  -0.022  1.00  0.00          Ni  
HETATM    2  N   UNL     1       1.884  -0.706  -0.288  1.00  0.00           N  
HETATM    3  C   UNL     1       2.759  -0.827   0.763  1.00  0.00           C  
HETATM    4  C   UNL     1       3.738  -1.559   0.157  1.00  0.00           C  
HETATM    5  C   UNL     1       3.527  -1.548  -1.250  1.00  0.00           C  
HETATM    6  C   UNL     1       2.468  -0.737  -1.543  1.00  0.00           C  
HETATM    7  C   UNL     1       1.976   0.084  -2.658  1.00  0.00           C  
HETATM    8  C   UNL     1       2.811   0.045  -3.783  1.00  0.00           C  
HETATM    9  C   UNL     1       2.313   0.411  -5.117  1.00  0.00           C  
HETATM   10  C   UNL     1       3.213   0.619  -6.098  1.00  0.00           C  
HETATM   11  N   UNL     1       4.556   0.495  -5.850  1.00  0.00           N  
HETATM   12  C   UNL     1       5.033  -0.126  -4.724  1.00  0.00           C  
HETATM   13  C   UNL     1       4.219  -0.364  -3.676  1.00  0.00           C  
HETATM   14  C   UNL     1       5.510   1.039  -6.820  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.229   0.987  -1.917  1.00  0.00           N  
HETATM   16  C   UNL     1       0.791   0.949  -2.841  1.00  0.00           C  
HETATM   17  C   UNL     1       0.204   1.610  -3.884  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.201   1.662  -3.662  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.483   1.021  -2.490  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.569   0.129  -2.013  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.586  -0.066  -2.958  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.924  -0.524  -2.557  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.764  -0.954  -3.518  1.00  0.00           C  
HETATM   24  N   UNL     1      -5.373  -0.967  -4.832  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.267  -0.285  -5.268  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.358   0.183  -4.389  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.162  -1.734  -5.800  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.875  -0.577   0.279  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.795  -0.589  -0.752  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.772  -1.324  -0.139  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.575  -1.285   1.271  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.436  -0.584   1.540  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.942   0.316   2.608  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.856   0.487   3.657  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.420   0.956   4.981  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.279   0.839   6.012  1.00  0.00           C  
HETATM   37  N   UNL     1      -4.522   0.292   5.826  1.00  0.00           N  
HETATM   38  C   UNL     1      -5.062   0.122   4.577  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.288   0.211   3.476  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.298  -0.123   6.998  1.00  0.00           C  
HETATM   41  N   UNL     1       0.350   0.997   1.861  1.00  0.00           N  
HETATM   42  C   UNL     1      -0.694   1.067   2.794  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.073   1.845   3.730  1.00  0.00           C  
HETATM   44  C   UNL     1       1.337   1.771   3.537  1.00  0.00           C  
HETATM   45  C   UNL     1       1.589   1.011   2.434  1.00  0.00           C  
HETATM   46  C   UNL     1       2.615  -0.015   1.993  1.00  0.00           C  
HETATM   47  C   UNL     1       3.628  -0.241   2.935  1.00  0.00           C  
HETATM   48  C   UNL     1       4.388  -1.500   2.953  1.00  0.00           C  
HETATM   49  C   UNL     1       5.145  -1.771   4.033  1.00  0.00           C  
HETATM   50  C   UNL     1       4.748   0.396   4.981  1.00  0.00           C  
HETATM   51  C   UNL     1       3.977   0.772   3.941  1.00  0.00           C  
HETATM   52  C   UNL     1       5.750  -1.352   6.364  1.00  0.00           C  
HETATM   53  N   UNL     1       5.197  -0.894   5.087  1.00  0.00           N  
HETATM   54  H   UNL     1       4.545  -2.066   0.665  1.00  0.00           H  
HETATM   55  H   UNL     1       4.113  -2.096  -1.973  1.00  0.00           H  
HETATM   56  H   UNL     1       1.254   0.512  -5.306  1.00  0.00           H  
HETATM   57  H   UNL     1       2.874   0.885  -7.088  1.00  0.00           H  
HETATM   58  H   UNL     1       6.071  -0.420  -4.673  1.00  0.00           H  
HETATM   59  H   UNL     1       4.591  -0.846  -2.784  1.00  0.00           H  
HETATM   60  H   UNL     1       6.527   0.857  -6.471  1.00  0.00           H  
HETATM   61  H   UNL     1       5.365   0.553  -7.784  1.00  0.00           H  
HETATM   62  H   UNL     1       5.349   2.112  -6.925  1.00  0.00           H  
HETATM   63  H   UNL     1       0.722   2.026  -4.736  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.924   2.133  -4.310  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.225  -0.516  -1.520  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.755  -1.292  -3.251  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.124  -0.116  -6.325  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.483   0.718  -4.728  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.716  -1.638  -6.790  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.174  -2.784  -5.508  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.182  -1.351  -5.822  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.568  -1.851  -0.645  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.222  -1.737   2.008  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.438   1.382   5.123  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.985   1.180   6.994  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.118  -0.080   4.473  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.708   0.074   2.490  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.254  -0.533   6.673  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.744  -0.883   7.549  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.472   0.738   7.642  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.571   2.423   4.495  1.00  0.00           H  
HETATM   82  H   UNL     1       2.083   2.241   4.161  1.00  0.00           H  
HETATM   83  H   UNL     1       4.340  -2.189   2.122  1.00  0.00           H  
HETATM   84  H   UNL     1       5.717  -2.686   4.070  1.00  0.00           H  
HETATM   85  H   UNL     1       5.019   1.121   5.735  1.00  0.00           H  
HETATM   86  H   UNL     1       3.618   1.787   3.855  1.00  0.00           H  
HETATM   87  H   UNL     1       5.716  -0.537   7.087  1.00  0.00           H  
HETATM   88  H   UNL     1       5.161  -2.191   6.735  1.00  0.00           H  
HETATM   89  H   UNL     1       6.783  -1.668   6.221  1.00  0.00           H  
CONECT    1    2   15   28   41                                       
CONECT    2    1    3    6                                            
CONECT    3    2    4    4   46                                       
CONECT    4    3    3    5   54                                       
CONECT    5    4    6    6   55                                       
CONECT    6    2    5    5    7                                       
CONECT    7    6    8    8   16                                       
CONECT    8    7    7    9   13                                       
CONECT    9    8   10   10   56                                       
CONECT   10    9    9   11   57                                       
CONECT   11   10   12   14                                            
CONECT   12   11   13   13   58                                       
CONECT   13    8   12   12   59                                       
CONECT   14   11   60   61   62                                       
CONECT   15    1   16   19                                            
CONECT   16    7   15   17   17                                       
CONECT   17   16   16   18   63                                       
CONECT   18   17   19   19   64                                       
CONECT   19   15   18   18   20                                       
CONECT   20   19   21   21   29                                       
CONECT   21   20   20   22   26                                       
CONECT   22   21   23   23   65                                       
CONECT   23   22   22   24   66                                       
CONECT   24   23   25   27                                            
CONECT   25   24   26   26   67                                       
CONECT   26   21   25   25   68                                       
CONECT   27   24   69   70   71                                       
CONECT   28    1   29   32                                            
CONECT   29   20   28   30   30                                       
CONECT   30   29   29   31   72                                       
CONECT   31   30   32   32   73                                       
CONECT   32   28   31   31   33                                       
CONECT   33   32   34   34   42                                       
CONECT   34   33   33   35   39                                       
CONECT   35   34   36   36   74                                       
CONECT   36   35   35   37   75                                       
CONECT   37   36   38   40                                            
CONECT   38   37   39   39   76                                       
CONECT   39   34   38   38   77                                       
CONECT   40   37   78   79   80                                       
CONECT   41    1   42   45                                            
CONECT   42   33   41   43   43                                       
CONECT   43   42   42   44   81                                       
CONECT   44   43   45   45   82                                       
CONECT   45   41   44   44   46                                       
CONECT   46    3   45   47   47                                       
CONECT   47   46   46   48   51                                       
CONECT   48   47   49   49   83                                       
CONECT   49   48   48   53   84                                       
CONECT   50   51   51   53   85                                       
CONECT   51   47   50   50   86                                       
CONECT   52   53   87   88   89                                       
CONECT   53   49   50   52                                            
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
CONECT   81   43                                                      
CONECT   82   44                                                      
CONECT   83   48                                                      
CONECT   84   49                                                      
CONECT   85   50                                                      
CONECT   86   51                                                      
CONECT   87   52                                                      
CONECT   88   52                                                      
CONECT   89   52                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
