COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.079   1.445  -6.890  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.742   0.180  -6.890  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.992  -0.904  -7.256  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.369  -1.664  -8.359  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.604  -2.769  -8.732  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.985  -3.549  -9.857  1.00  0.00           N1+
HETATM    7  O   UNL     1      -1.283  -4.539 -10.175  1.00  0.00           O1-
HETATM    8  O   UNL     1      -3.012  -3.226 -10.500  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.466  -3.108  -8.001  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.092  -2.343  -6.896  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.858  -1.238  -6.523  1.00  0.00           C  
HETATM   12  C   UNL     1       1.093  -2.697  -6.132  1.00  0.00           C  
HETATM   13  N   UNL     1       1.745  -1.661  -5.453  1.00  0.00           N  
HETATM   14  C   UNL     1       2.946  -1.850  -4.672  1.00  0.00           C  
HETATM   15  C   UNL     1       4.217  -1.669  -5.498  1.00  0.00           C  
HETATM   16  C   UNL     1       4.340  -0.292  -6.148  1.00  0.00           C  
HETATM   17  N   UNL     1       4.324   0.793  -5.169  1.00  0.00           N  
HETATM   18  C   UNL     1       5.483   0.705  -4.273  1.00  0.00           C  
HETATM   19  C   UNL     1       5.468   1.844  -3.248  1.00  0.00           C  
HETATM   20  N   UNL     1       5.435   3.150  -3.917  1.00  0.00           N  
HETATM   21  C   UNL     1       5.417   4.235  -2.937  1.00  0.00           C  
HETATM   22  C   UNL     1       6.682   4.275  -2.083  1.00  0.00           C  
HETATM   23  C   UNL     1       7.967   4.442  -2.892  1.00  0.00           C  
HETATM   24  N   UNL     1       9.138   4.500  -2.061  1.00  0.00           N  
HETATM   25  C   UNL     1       4.276   3.238  -4.813  1.00  0.00           C  
HETATM   26  C   UNL     1       4.292   2.099  -5.839  1.00  0.00           C  
HETATM   27  O   UNL     1       1.505  -3.871  -6.114  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.077   2.561  -7.205  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.555   2.375  -8.537  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.410   3.931  -7.095  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.400   4.948  -7.223  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.671   4.076  -5.764  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.636   4.109  -4.710  1.00  0.00           O  
HETATM   34  C   UNL     1      -0.719   2.892  -5.567  1.00  0.00           C  
HETATM   35  C   UNL     1       0.003   2.926  -4.226  1.00  0.00           C  
HETATM   36  O   UNL     1       0.846   1.791  -4.136  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.452   1.662  -5.627  1.00  0.00           O  
HETATM   38  H   UNL     1      -1.307   1.381  -7.666  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.949   2.503  -6.542  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.560   1.419  -8.697  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.709   4.062  -7.929  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.114   4.571  -7.761  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.132   5.030  -5.739  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.306   3.446  -4.933  1.00  0.00           H  
HETATM   45  H   UNL     1       0.037   2.888  -6.363  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.721   2.901  -3.411  1.00  0.00           H  
HETATM   47  H   UNL     1       0.609   3.830  -4.150  1.00  0.00           H  
HETATM   48  H   UNL     1       0.646   1.227  -4.902  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.258  -1.393  -8.925  1.00  0.00           H  
HETATM   50  H   UNL     1       0.132  -3.970  -8.290  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.570  -0.638  -5.662  1.00  0.00           H  
HETATM   52  H   UNL     1       1.403  -0.711  -5.553  1.00  0.00           H  
HETATM   53  H   UNL     1       2.919  -1.111  -3.864  1.00  0.00           H  
HETATM   54  H   UNL     1       2.899  -2.846  -4.221  1.00  0.00           H  
HETATM   55  H   UNL     1       5.092  -1.833  -4.858  1.00  0.00           H  
HETATM   56  H   UNL     1       4.240  -2.441  -6.278  1.00  0.00           H  
HETATM   57  H   UNL     1       5.263  -0.204  -6.730  1.00  0.00           H  
HETATM   58  H   UNL     1       3.496  -0.123  -6.824  1.00  0.00           H  
HETATM   59  H   UNL     1       6.420   0.733  -4.846  1.00  0.00           H  
HETATM   60  H   UNL     1       5.459  -0.250  -3.734  1.00  0.00           H  
HETATM   61  H   UNL     1       4.605   1.728  -2.577  1.00  0.00           H  
HETATM   62  H   UNL     1       6.372   1.770  -2.631  1.00  0.00           H  
HETATM   63  H   UNL     1       4.301   4.192  -5.353  1.00  0.00           H  
HETATM   64  H   UNL     1       3.338   3.209  -4.242  1.00  0.00           H  
HETATM   65  H   UNL     1       3.389   2.173  -6.456  1.00  0.00           H  
HETATM   66  H   UNL     1       5.156   2.214  -6.508  1.00  0.00           H  
HETATM   67  H   UNL     1       4.521   4.114  -2.321  1.00  0.00           H  
HETATM   68  H   UNL     1       5.317   5.168  -3.499  1.00  0.00           H  
HETATM   69  H   UNL     1       6.740   3.348  -1.499  1.00  0.00           H  
HETATM   70  H   UNL     1       6.610   5.102  -1.367  1.00  0.00           H  
HETATM   71  H   UNL     1       7.932   5.379  -3.457  1.00  0.00           H  
HETATM   72  H   UNL     1       8.102   3.622  -3.604  1.00  0.00           H  
HETATM   73  H   UNL     1       9.842   3.784  -2.152  1.00  0.00           H  
HETATM   74  H   UNL     1       9.150   5.123  -1.269  1.00  0.00           H  
CONECT    1    2   28   37   38                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   11                                       
CONECT    4    3    3    5   49                                       
CONECT    5    4    6    9    9                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6                                                      
CONECT    8    6    6                                                 
CONECT    9    5    5   10   50                                       
CONECT   10    9   11   11   12                                       
CONECT   11    3   10   10   51                                       
CONECT   12   10   13   27   27                                       
CONECT   13   12   14   52                                            
CONECT   14   13   15   53   54                                       
CONECT   15   14   16   55   56                                       
CONECT   16   15   17   57   58                                       
CONECT   17   16   18   26                                            
CONECT   18   17   19   59   60                                       
CONECT   19   18   20   61   62                                       
CONECT   20   19   21   25                                            
CONECT   21   20   22   67   68                                       
CONECT   22   21   23   69   70                                       
CONECT   23   22   24   71   72                                       
CONECT   24   23   73   74                                            
CONECT   25   20   26   63   64                                       
CONECT   26   17   25   65   66                                       
CONECT   27   12   12                                                 
CONECT   28    1   29   30   39                                       
CONECT   29   28   40                                                 
CONECT   30   28   31   32   41                                       
CONECT   31   30   42                                                 
CONECT   32   30   33   34   43                                       
CONECT   33   32   44                                                 
CONECT   34   32   35   37   45                                       
CONECT   35   34   36   46   47                                       
CONECT   36   35   48                                                 
CONECT   37    1   34                                                 
CONECT   38    1                                                      
CONECT   39   28                                                      
CONECT   40   29                                                      
CONECT   41   30                                                      
CONECT   42   31                                                      
CONECT   43   32                                                      
CONECT   44   33                                                      
CONECT   45   34                                                      
CONECT   46   35                                                      
CONECT   47   35                                                      
CONECT   48   36                                                      
CONECT   49    4                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
