COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.001  -1.566   1.377  1.00  0.00           N  
HETATM    2  O   UNL     1      -3.250  -0.432   2.916  1.00  0.00           O  
HETATM    3  N   UNL     1       0.315   1.485  -0.554  1.00  0.00           N  
HETATM    4  C   UNL     1       1.581  -1.124  -0.624  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.277  -2.576   0.464  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.558   0.663  -1.103  1.00  0.00           C  
HETATM    7  C   UNL     1       0.035   2.773  -0.405  1.00  0.00           C  
HETATM    8  C   UNL     1       2.084  -2.357  -1.042  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.648  -2.901   0.588  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.562   1.788  -1.213  1.00  0.00           C  
HETATM   11  C   UNL     1       1.230   3.493  -0.159  1.00  0.00           C  
HETATM   12  C   UNL     1       1.042  -3.266  -1.012  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.170  -2.101   1.553  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.752   3.046  -0.970  1.00  0.00           C  
HETATM   15  C   UNL     1       2.250   2.597  -0.164  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.097  -2.591  -0.577  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.135  -1.271   2.040  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.378   2.568  -0.743  1.00  0.00           C  
HETATM   19  C   UNL     1       1.640   1.291  -0.423  1.00  0.00           C  
HETATM   20  C   UNL     1       3.506  -2.646  -1.451  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.602  -2.098   2.023  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.187   4.305  -0.963  1.00  0.00           C  
HETATM   23  C   UNL     1       3.712   2.888   0.052  1.00  0.00           C  
HETATM   24  C   UNL     1       4.313  -3.073  -0.224  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.741  -3.013   3.241  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.223   5.433  -0.699  1.00  0.00           C  
HETATM   27  C   UNL     1       4.064   2.663   1.524  1.00  0.00           C  
HETATM   28  C   UNL     1       5.734  -3.362  -0.633  1.00  0.00           C  
HETATM   29  C   UNL     1       5.527   2.954   1.740  1.00  0.00           C  
HETATM   30  C   UNL     1       2.310   0.070  -0.517  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.378  -3.156  -0.407  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.303   3.359  -0.482  1.00  0.00           C  
HETATM   33  C   UNL     1       1.124  -4.724  -1.383  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.393  -3.944  -0.205  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.185   1.812  -2.611  1.00  0.00           C  
HETATM   36  C   UNL     1       1.347   4.979   0.065  1.00  0.00           C  
HETATM   37  N   UNL     1       0.243  -1.283  -0.343  1.00  0.00           N  
HETATM   38  N   UNL     1      -2.354   1.187  -0.831  1.00  0.00           N  
HETATM   39  O   UNL     1       6.630  -3.756   0.285  1.00  0.00           O  
HETATM   40  O   UNL     1       6.064   2.823   2.964  1.00  0.00           O  
HETATM   41  O   UNL     1       6.067  -3.239  -1.788  1.00  0.00           O  
HETATM   42  O   UNL     1       6.217   3.305   0.812  1.00  0.00           O  
HETATM   43  O   UNL     1      -3.802  -0.518  -1.234  1.00  0.00           O  
HETATM   44  H   UNL     1      -1.137  -1.147   1.516  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.337   1.681  -0.454  1.00  0.00           H  
HETATM   46  H   UNL     1       3.515  -3.448  -2.190  1.00  0.00           H  
HETATM   47  H   UNL     1       3.949  -1.749  -1.883  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.893  -1.084   2.295  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.247  -2.458   1.222  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.229   4.518  -1.146  1.00  0.00           H  
HETATM   51  H   UNL     1       4.311   2.223  -0.571  1.00  0.00           H  
HETATM   52  H   UNL     1       3.921   3.923  -0.218  1.00  0.00           H  
HETATM   53  H   UNL     1       4.304  -2.271   0.515  1.00  0.00           H  
HETATM   54  H   UNL     1       3.870  -3.970   0.208  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.777  -3.011   3.581  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.450  -4.028   2.968  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.095  -2.653   4.042  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.757   6.383  -0.733  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.773   5.305   0.285  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.441   5.429  -1.459  1.00  0.00           H  
HETATM   61  H   UNL     1       3.466   3.328   2.146  1.00  0.00           H  
HETATM   62  H   UNL     1       3.856   1.628   1.793  1.00  0.00           H  
HETATM   63  H   UNL     1       3.390   0.044  -0.506  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.655  -4.043  -0.957  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.436   4.420  -0.333  1.00  0.00           H  
HETATM   66  H   UNL     1       1.376  -5.311  -0.499  1.00  0.00           H  
HETATM   67  H   UNL     1       0.162  -5.054  -1.775  1.00  0.00           H  
HETATM   68  H   UNL     1       1.893  -4.863  -2.143  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.709  -4.425  -0.905  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.803  -4.692   0.474  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.204  -3.470  -0.757  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.639   0.845  -2.824  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.948   2.589  -2.655  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.411   2.021  -3.349  1.00  0.00           H  
HETATM   75  H   UNL     1       0.358   5.433   0.011  1.00  0.00           H  
HETATM   76  H   UNL     1       1.779   5.165   1.048  1.00  0.00           H  
HETATM   77  H   UNL     1       1.988   5.412  -0.702  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.358  -0.587  -0.032  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.551   0.655  -0.715  1.00  0.00           H  
HETATM   80  H   UNL     1       7.530  -3.930  -0.025  1.00  0.00           H  
HETATM   81  H   UNL     1       7.006   3.021   3.053  1.00  0.00           H  
CONECT    1    5   17   44                                            
CONECT    2   17   17                                                 
CONECT    3   19    7    7                                            
CONECT    4   30    8    8   37                                       
CONECT    5   31   31    1    9                                       
CONECT    6   38   43   43   10                                       
CONECT    7   11    3    3   32                                       
CONECT    8   20    4    4   12                                       
CONECT    9    5   34   13   13                                       
CONECT   10   35    6   14   45                                       
CONECT   11   36   15   15    7                                       
CONECT   12    8   33   16   16                                       
CONECT   13    9    9   17   21                                       
CONECT   14   18   10   22   22                                       
CONECT   15   23   11   11   19                                       
CONECT   16   12   12   37   31                                       
CONECT   17    1    2    2   13                                       
CONECT   18   32   32   38   14                                       
CONECT   19   15   30   30    3                                       
CONECT   20   24    8   46   47                                       
CONECT   21   25   13   48   49                                       
CONECT   22   14   14   26   50                                       
CONECT   23   27   15   51   52                                       
CONECT   24   28   20   53   54                                       
CONECT   25   21   55   56   57                                       
CONECT   26   22   58   59   60                                       
CONECT   27   29   23   61   62                                       
CONECT   28   41   41   39   24                                       
CONECT   29   42   42   40   27                                       
CONECT   30   19   19    4   63                                       
CONECT   31   16    5    5   64                                       
CONECT   32    7   18   18   65                                       
CONECT   33   12   66   67   68                                       
CONECT   34    9   69   70   71                                       
CONECT   35   10   72   73   74                                       
CONECT   36   11   75   76   77                                       
CONECT   37    4   16   78                                            
CONECT   38   18    6   79                                            
CONECT   39   28   80                                                 
CONECT   40   29   81                                                 
CONECT   41   28   28                                                 
CONECT   42   29   29                                                 
CONECT   43    6    6                                                 
CONECT   44    1                                                      
CONECT   45   10                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
