COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.220  -1.783  -1.178  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.501   1.826   0.975  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.853   3.024   0.714  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.153  -0.184  -2.576  1.00  0.00           N  
HETATM    5  C   UNL     1       0.513   3.011   0.451  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.543   4.195   0.716  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.894  -1.442  -2.270  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.845   2.215  -1.818  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.980   1.825   1.262  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.721   1.672   0.007  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.736   0.809  -1.778  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.020   0.487  -0.613  1.00  0.00           C  
HETATM   13  O   UNL     1       8.651  -1.941  -0.519  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.770  -0.864  -0.332  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.248   2.711  -0.770  1.00  0.00           N  
HETATM   16  C   UNL     1       1.173   1.793   0.460  1.00  0.00           C  
HETATM   17  C   UNL     1       0.459   0.640   0.729  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.836   0.687   0.970  1.00  0.00           N  
HETATM   19  C   UNL     1       2.652   1.726   0.180  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.342  -2.442  -3.119  1.00  0.00           N  
HETATM   21  N   UNL     1      -3.069  -1.232   0.803  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.803   5.385   0.438  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.712  -2.636   1.021  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.405  -2.949   0.290  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.619  -2.815  -1.219  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.311  -3.128  -1.949  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.533  -2.890   2.519  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.873  -2.698   3.233  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.706  -2.935   4.632  1.00  0.00           O  
HETATM   30  C   UNL     1       2.901   0.846  -1.048  1.00  0.00           C  
HETATM   31  C   UNL     1       4.408   0.732  -1.292  1.00  0.00           C  
HETATM   32  N   UNL     1       5.053   0.147  -0.109  1.00  0.00           N  
HETATM   33  C   UNL     1       4.867   0.998   1.073  1.00  0.00           C  
HETATM   34  C   UNL     1       3.375   1.122   1.387  1.00  0.00           C  
HETATM   35  C   UNL     1       6.478  -0.106  -0.358  1.00  0.00           C  
HETATM   36  C   UNL     1       7.116  -0.719   0.892  1.00  0.00           C  
HETATM   37  C   UNL     1       8.581  -1.051   0.598  1.00  0.00           C  
HETATM   38  C   UNL     1       8.113  -1.403  -1.728  1.00  0.00           C  
HETATM   39  C   UNL     1       6.629  -1.084  -1.527  1.00  0.00           C  
HETATM   40  H   UNL     1       1.045   3.928   0.243  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.340   2.786  -2.589  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.220   0.996   1.929  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.259   2.766   1.737  1.00  0.00           H  
HETATM   44  H   UNL     1       0.968  -0.312   0.737  1.00  0.00           H  
HETATM   45  H   UNL     1       3.034   2.730  -0.008  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.161  -3.372  -2.911  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.836  -2.211  -3.922  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.815  -0.560   1.455  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.354   5.311  -0.553  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.472   6.245   0.470  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.018   5.507   1.184  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.506  -3.276   0.636  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.633  -2.249   0.612  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.093  -3.967   0.524  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.391  -3.514  -1.539  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.931  -1.797  -1.452  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.464  -3.032  -3.024  1.00  0.00           H  
HETATM   58  H   UNL     1       0.461  -2.428  -1.628  1.00  0.00           H  
HETATM   59  H   UNL     1       0.001  -4.146  -1.715  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.182  -3.910   2.675  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.803  -2.188   2.922  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.225  -1.678   3.076  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.603  -3.400   2.830  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.517  -2.831   5.148  1.00  0.00           H  
HETATM   65  H   UNL     1       2.484  -0.146  -0.876  1.00  0.00           H  
HETATM   66  H   UNL     1       2.424   1.295  -1.920  1.00  0.00           H  
HETATM   67  H   UNL     1       4.589   0.095  -2.157  1.00  0.00           H  
HETATM   68  H   UNL     1       4.822   1.723  -1.478  1.00  0.00           H  
HETATM   69  H   UNL     1       5.383   0.554   1.924  1.00  0.00           H  
HETATM   70  H   UNL     1       5.279   1.988   0.875  1.00  0.00           H  
HETATM   71  H   UNL     1       3.238   1.766   2.255  1.00  0.00           H  
HETATM   72  H   UNL     1       2.964   0.134   1.598  1.00  0.00           H  
HETATM   73  H   UNL     1       6.978   0.832  -0.600  1.00  0.00           H  
HETATM   74  H   UNL     1       7.062  -0.007   1.715  1.00  0.00           H  
HETATM   75  H   UNL     1       6.582  -1.630   1.164  1.00  0.00           H  
HETATM   76  H   UNL     1       9.028  -1.528   1.470  1.00  0.00           H  
HETATM   77  H   UNL     1       9.122  -0.134   0.366  1.00  0.00           H  
HETATM   78  H   UNL     1       8.648  -0.490  -1.990  1.00  0.00           H  
HETATM   79  H   UNL     1       8.223  -2.132  -2.531  1.00  0.00           H  
HETATM   80  H   UNL     1       6.086  -2.003  -1.305  1.00  0.00           H  
HETATM   81  H   UNL     1       6.227  -0.633  -2.434  1.00  0.00           H  
CONECT    1   14    7    7                                            
CONECT    2    3    3   18    9                                       
CONECT    3    5    6    2    2                                       
CONECT    4   11   11    7                                            
CONECT    5   16   16    3   40                                       
CONECT    6   22    3                                                 
CONECT    7    1    1    4   20                                       
CONECT    8   15   15   11   41                                       
CONECT    9    2   10   42   43                                       
CONECT   10    9   12   15                                            
CONECT   11   12    8    4    4                                       
CONECT   12   14   14   10   11                                       
CONECT   13   38   37                                                 
CONECT   14   21   12   12    1                                       
CONECT   15   10    8    8                                            
CONECT   16   19    5    5   17                                       
CONECT   17   16   18   18   44                                       
CONECT   18   17   17    2                                            
CONECT   19   30   34   16   45                                       
CONECT   20    7   46   47                                            
CONECT   21   23   14   48                                            
CONECT   22    6   49   50   51                                       
CONECT   23   27   21   24   52                                       
CONECT   24   23   25   53   54                                       
CONECT   25   24   26   55   56                                       
CONECT   26   25   57   58   59                                       
CONECT   27   28   23   60   61                                       
CONECT   28   29   27   62   63                                       
CONECT   29   28   64                                                 
CONECT   30   31   19   65   66                                       
CONECT   31   32   30   67   68                                       
CONECT   32   35   31   33                                            
CONECT   33   32   34   69   70                                       
CONECT   34   33   19   71   72                                       
CONECT   35   39   36   32   73                                       
CONECT   36   37   35   74   75                                       
CONECT   37   13   36   76   77                                       
CONECT   38   13   39   78   79                                       
CONECT   39   38   35   80   81                                       
CONECT   40    5                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   39                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
