COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.063   3.554   2.632  1.00  0.00           N  
HETATM    2  C   UNL     1       5.747   2.372   1.819  1.00  0.00           C  
HETATM    3  C   UNL     1       4.444   2.593   1.096  1.00  0.00           C  
HETATM    4  O   UNL     1       4.020   3.719   0.941  1.00  0.00           O  
HETATM    5  C   UNL     1       6.864   2.142   0.797  1.00  0.00           C  
HETATM    6  C   UNL     1       8.161   1.795   1.530  1.00  0.00           C  
HETATM    7  C   UNL     1       9.260   1.569   0.524  1.00  0.00           C  
HETATM    8  O   UNL     1       9.029   1.675  -0.662  1.00  0.00           O  
HETATM    9  N   UNL     1      10.501   1.248   0.942  1.00  0.00           N  
HETATM   10  N   UNL     1       3.748   1.540   0.623  1.00  0.00           N  
HETATM   11  C   UNL     1       2.480   1.755  -0.079  1.00  0.00           C  
HETATM   12  C   UNL     1       1.627   0.519   0.035  1.00  0.00           C  
HETATM   13  O   UNL     1       2.036  -0.447   0.644  1.00  0.00           O  
HETATM   14  C   UNL     1       2.758   2.048  -1.555  1.00  0.00           C  
HETATM   15  C   UNL     1       3.507   3.350  -1.677  1.00  0.00           C  
HETATM   16  C   UNL     1       4.890   3.357  -1.654  1.00  0.00           C  
HETATM   17  C   UNL     1       2.812   4.537  -1.817  1.00  0.00           C  
HETATM   18  C   UNL     1       5.576   4.551  -1.765  1.00  0.00           C  
HETATM   19  C   UNL     1       3.499   5.731  -1.928  1.00  0.00           C  
HETATM   20  C   UNL     1       4.881   5.739  -1.900  1.00  0.00           C  
HETATM   21  C   UNL     1       3.976  -3.041  -0.911  1.00  0.00           C  
HETATM   22  C   UNL     1       5.363  -3.502  -0.697  1.00  0.00           C  
HETATM   23  C   UNL     1       7.008  -4.700   0.741  1.00  0.00           C  
HETATM   24  C   UNL     1       2.428  -1.487  -1.889  1.00  0.00           C  
HETATM   25  C   UNL     1       3.725  -1.912  -1.694  1.00  0.00           C  
HETATM   26  C   UNL     1       5.215  -4.700   2.859  1.00  0.00           C  
HETATM   27  C   UNL     1       6.465  -5.276   3.001  1.00  0.00           C  
HETATM   28  O   UNL     1       6.189  -3.373  -1.579  1.00  0.00           O  
HETATM   29  O   UNL     1      -2.184   0.815  -0.751  1.00  0.00           O  
HETATM   30  C   UNL     1       4.847  -4.130   1.658  1.00  0.00           C  
HETATM   31  C   UNL     1       5.746  -4.121   0.589  1.00  0.00           C  
HETATM   32  N   UNL     1       0.407   0.486  -0.538  1.00  0.00           N  
HETATM   33  C   UNL     1       7.359  -5.275   1.944  1.00  0.00           C  
HETATM   34  C   UNL     1       1.376  -2.176  -1.311  1.00  0.00           C  
HETATM   35  C   UNL     1       1.617  -3.299  -0.539  1.00  0.00           C  
HETATM   36  C   UNL     1       2.909  -3.735  -0.336  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.039  -1.705  -1.529  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.423  -0.716  -0.426  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.875  -0.339  -0.572  1.00  0.00           C  
HETATM   40  N   UNL     1      -9.369  -0.676   0.254  1.00  0.00           N  
HETATM   41  C   UNL     1      -9.101  -1.576  -0.871  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.725  -2.220  -0.693  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.643  -1.141  -0.771  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.267  -1.785  -0.593  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.185  -0.706  -0.672  1.00  0.00           C  
HETATM   46  N   UNL     1      -2.863  -1.325  -0.501  1.00  0.00           N1+
HETATM   47  C   UNL     1     -10.157  -2.650  -0.917  1.00  0.00           C  
HETATM   48  O   UNL     1     -11.045  -2.664  -0.091  1.00  0.00           O  
HETATM   49  N   UNL     1     -10.114  -3.596  -1.875  1.00  0.00           N  
HETATM   50  C   UNL     1     -10.226   0.353   0.105  1.00  0.00           C  
HETATM   51  O   UNL     1     -10.778   0.535  -0.962  1.00  0.00           O  
HETATM   52  C   UNL     1     -10.496   1.260   1.240  1.00  0.00           C  
HETATM   53  C   UNL     1     -11.350   2.285   1.091  1.00  0.00           C  
HETATM   54  C   UNL     1     -11.619   3.190   2.224  1.00  0.00           C  
HETATM   55  O   UNL     1     -11.068   3.009   3.291  1.00  0.00           O  
HETATM   56  O   UNL     1     -12.476   4.219   2.075  1.00  0.00           O  
HETATM   57  H   UNL     1       6.148   4.377   2.055  1.00  0.00           H  
HETATM   58  H   UNL     1       5.374   3.689   3.356  1.00  0.00           H  
HETATM   59  H   UNL     1       5.661   1.498   2.465  1.00  0.00           H  
HETATM   60  H   UNL     1       6.588   1.321   0.136  1.00  0.00           H  
HETATM   61  H   UNL     1       7.010   3.049   0.209  1.00  0.00           H  
HETATM   62  H   UNL     1       8.437   2.616   2.191  1.00  0.00           H  
HETATM   63  H   UNL     1       8.015   0.889   2.118  1.00  0.00           H  
HETATM   64  H   UNL     1      10.686   1.163   1.891  1.00  0.00           H  
HETATM   65  H   UNL     1      11.209   1.103   0.295  1.00  0.00           H  
HETATM   66  H   UNL     1       4.087   0.640   0.747  1.00  0.00           H  
HETATM   67  H   UNL     1       1.957   2.601   0.366  1.00  0.00           H  
HETATM   68  H   UNL     1       3.359   1.242  -1.979  1.00  0.00           H  
HETATM   69  H   UNL     1       1.814   2.120  -2.095  1.00  0.00           H  
HETATM   70  H   UNL     1       5.432   2.429  -1.549  1.00  0.00           H  
HETATM   71  H   UNL     1       1.733   4.531  -1.839  1.00  0.00           H  
HETATM   72  H   UNL     1       6.656   4.557  -1.747  1.00  0.00           H  
HETATM   73  H   UNL     1       2.956   6.658  -2.038  1.00  0.00           H  
HETATM   74  H   UNL     1       5.418   6.672  -1.987  1.00  0.00           H  
HETATM   75  H   UNL     1       7.706  -4.700  -0.083  1.00  0.00           H  
HETATM   76  H   UNL     1       2.232  -0.614  -2.494  1.00  0.00           H  
HETATM   77  H   UNL     1       4.545  -1.373  -2.145  1.00  0.00           H  
HETATM   78  H   UNL     1       4.523  -4.704   3.688  1.00  0.00           H  
HETATM   79  H   UNL     1       6.749  -5.720   3.944  1.00  0.00           H  
HETATM   80  H   UNL     1       3.869  -3.685   1.547  1.00  0.00           H  
HETATM   81  H   UNL     1       0.079   1.259  -1.025  1.00  0.00           H  
HETATM   82  H   UNL     1       8.333  -5.727   2.062  1.00  0.00           H  
HETATM   83  H   UNL     1       0.791  -3.831  -0.091  1.00  0.00           H  
HETATM   84  H   UNL     1       3.096  -4.611   0.267  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.113  -1.214  -2.500  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.715  -2.559  -1.502  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.264  -1.178   0.548  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.929  -0.821   1.106  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.120  -1.008  -1.802  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.677  -2.712   0.278  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.563  -2.955  -1.482  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.691  -0.648  -1.742  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.805  -0.406   0.017  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.219  -2.278   0.378  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.105  -2.520  -1.382  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.233  -0.213  -1.643  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.347   0.029   0.117  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.713  -2.005  -1.231  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.819  -1.781   0.398  1.00  0.00           H  
HETATM  100  H   UNL     1      -9.404  -3.586  -2.536  1.00  0.00           H  
HETATM  101  H   UNL     1     -10.793  -4.288  -1.905  1.00  0.00           H  
HETATM  102  H   UNL     1     -10.006   1.098   2.188  1.00  0.00           H  
HETATM  103  H   UNL     1     -11.840   2.446   0.142  1.00  0.00           H  
HETATM  104  H   UNL     1     -12.621   4.785   2.846  1.00  0.00           H  
CONECT    1    2   57   58                                            
CONECT    2    1    3    5   59                                       
CONECT    3    2    4    4   10                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   60   61                                       
CONECT    6    5    7   62   63                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   64   65                                            
CONECT   10   11   66    3                                            
CONECT   11   10   12   14   67                                       
CONECT   12   11   13   13   32                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   68   69                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15   18   70                                       
CONECT   17   15   19   19   71                                       
CONECT   18   16   20   20   72                                       
CONECT   19   17   17   20   73                                       
CONECT   20   18   18   19   74                                       
CONECT   21   36   36   25   22                                       
CONECT   22   21   28   28   31                                       
CONECT   23   31   33   33   75                                       
CONECT   24   34   25   25   76                                       
CONECT   25   24   24   21   77                                       
CONECT   26   30   27   27   78                                       
CONECT   27   26   26   33   79                                       
CONECT   28   22   22                                                 
CONECT   29   39   39                                                 
CONECT   30   31   31   26   80                                       
CONECT   31   22   30   30   23                                       
CONECT   32   38   81   12                                            
CONECT   33   23   23   27   82                                       
CONECT   34   37   35   35   24                                       
CONECT   35   34   34   36   83                                       
CONECT   36   35   21   21   84                                       
CONECT   37   38   34   85   86                                       
CONECT   38   39   32   37   87                                       
CONECT   39   29   29   38   46                                       
CONECT   40   41   88   50                                            
CONECT   41   40   42   47   89                                       
CONECT   42   41   43   90   91                                       
CONECT   43   42   44   92   93                                       
CONECT   44   43   45   94   95                                       
CONECT   45   44   46   96   97                                       
CONECT   46   45   98   99   39                                       
CONECT   47   41   48   48   49                                       
CONECT   48   47   47                                                 
CONECT   49   47  100  101                                            
CONECT   50   51   51   52   40                                       
CONECT   51   50   50                                                 
CONECT   52   50   53   53  102                                       
CONECT   53   52   52   54  103                                       
CONECT   54   53   55   55   56                                       
CONECT   55   54   54                                                 
CONECT   56   54  104                                                 
CONECT   57    1                                                      
CONECT   58    1                                                      
CONECT   59    2                                                      
CONECT   60    5                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    6                                                      
CONECT   64    9                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   14                                                      
CONECT   69   14                                                      
CONECT   70   16                                                      
CONECT   71   17                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   30                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   37                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   43                                                      
CONECT   94   44                                                      
CONECT   95   44                                                      
CONECT   96   45                                                      
CONECT   97   45                                                      
CONECT   98   46                                                      
CONECT   99   46                                                      
CONECT  100   49                                                      
CONECT  101   49                                                      
CONECT  102   52                                                      
CONECT  103   53                                                      
CONECT  104   56                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
