COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.646   0.794   0.828  1.00  0.00           N  
HETATM    2  N   UNL     1       9.786   0.827   1.816  1.00  0.00           N  
HETATM    3  C   UNL     1       8.003   3.214  -0.325  1.00  0.00           C  
HETATM    4  C   UNL     1       5.425   0.627  -0.124  1.00  0.00           C  
HETATM    5  C   UNL     1       4.030  -1.100   0.176  1.00  0.00           C  
HETATM    6  C   UNL     1       4.424   1.129  -0.870  1.00  0.00           C  
HETATM    7  C   UNL     1       2.282  -2.741   0.431  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.040  -2.214   0.115  1.00  0.00           C  
HETATM    9  C   UNL     1       1.988  -4.094   0.303  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.112  -1.493  -0.803  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.335  -0.779  -1.671  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.308   1.452  -0.022  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.243   0.576   0.002  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.540   2.181  -0.887  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.127   0.044   0.824  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.570   2.800   0.280  1.00  0.00           C  
HETATM   17  C   UNL     1       6.701   1.349   0.081  1.00  0.00           C  
HETATM   18  C   UNL     1       8.804   1.415   1.034  1.00  0.00           C  
HETATM   19  C   UNL     1       9.017   2.662   0.453  1.00  0.00           C  
HETATM   20  N   UNL     1       6.870   2.536  -0.488  1.00  0.00           N  
HETATM   21  N   UNL     1       8.172   4.453  -0.923  1.00  0.00           N  
HETATM   22  N   UNL     1       5.185  -0.566   0.421  1.00  0.00           N  
HETATM   23  S   UNL     1       3.095  -0.028  -0.862  1.00  0.00           S  
HETATM   24  N   UNL     1       3.599  -2.329   0.651  1.00  0.00           N  
HETATM   25  C   UNL     1       1.267  -1.800   0.334  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.327  -3.567  -0.006  1.00  0.00           C  
HETATM   27  C   UNL     1       0.687  -4.502   0.085  1.00  0.00           C  
HETATM   28  C   UNL     1       3.091  -5.116   0.402  1.00  0.00           C  
HETATM   29  N   UNL     1      -1.066  -1.268   0.016  1.00  0.00           N  
HETATM   30  C   UNL     1      -3.250  -0.549  -0.824  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.121  -2.472  -1.523  1.00  0.00           O  
HETATM   32  C   UNL     1      -5.394   0.106  -1.686  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.381   1.219  -0.864  1.00  0.00           C  
HETATM   34  N   UNL     1      -7.542   1.765   0.104  1.00  0.00           N  
HETATM   35  C   UNL     1      -8.150   0.481  -0.271  1.00  0.00           C  
HETATM   36  N   UNL     1     -10.155   1.079   1.000  1.00  0.00           N  
HETATM   37  C   UNL     1      -9.547   2.363   1.375  1.00  0.00           C  
HETATM   38  C   UNL     1     -11.157   0.663   1.991  1.00  0.00           C  
HETATM   39  H   UNL     1       9.632  -0.042   2.218  1.00  0.00           H  
HETATM   40  H   UNL     1      10.629   1.286   1.962  1.00  0.00           H  
HETATM   41  H   UNL     1       4.433   2.079  -1.384  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.345  -1.645  -2.316  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.304   2.323   0.617  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.406   0.759   0.660  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.185   3.183  -0.646  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.990   2.185  -1.880  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.601  -0.894   0.535  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.586  -0.095   1.760  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.095   3.738   0.570  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.110   2.939  -0.656  1.00  0.00           H  
HETATM   51  H   UNL     1       9.948   3.189   0.603  1.00  0.00           H  
HETATM   52  H   UNL     1       9.001   4.942  -0.800  1.00  0.00           H  
HETATM   53  H   UNL     1       7.461   4.832  -1.464  1.00  0.00           H  
HETATM   54  H   UNL     1       4.212  -2.903   1.136  1.00  0.00           H  
HETATM   55  H   UNL     1       1.493  -0.748   0.428  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.344  -3.890  -0.176  1.00  0.00           H  
HETATM   57  H   UNL     1       0.461  -5.553  -0.014  1.00  0.00           H  
HETATM   58  H   UNL     1       3.207  -5.426   1.441  1.00  0.00           H  
HETATM   59  H   UNL     1       2.839  -5.983  -0.209  1.00  0.00           H  
HETATM   60  H   UNL     1       4.024  -4.680   0.047  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.024  -0.451   0.537  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.234  -0.071  -2.341  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.370  -0.272  -0.383  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.686   0.593  -1.213  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.010   2.251   2.317  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.327   3.116   1.487  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.668   0.488   2.950  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.906   1.447   2.102  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.639  -0.256   1.656  1.00  0.00           H  
CONECT    1   18   18   17                                            
CONECT    2   18   39   40                                            
CONECT    3   21   19   19   20                                       
CONECT    4   22   17    6    6                                       
CONECT    5   24   22   22   23                                       
CONECT    6    4    4   23   41                                       
CONECT    7    9   24   25   25                                       
CONECT    8   26   26   25   29                                       
CONECT    9   28   27   27    7                                       
CONECT   10   29   30   31   31                                       
CONECT   11   30   30   32   42                                       
CONECT   12   13   13   33   43                                       
CONECT   13   30   12   12   44                                       
CONECT   14   34   33   45   46                                       
CONECT   15   36   35   47   48                                       
CONECT   16   37   34   49   50                                       
CONECT   17   20   20    1    4                                       
CONECT   18   19    2    1    1                                       
CONECT   19    3    3   18   51                                       
CONECT   20    3   17   17                                            
CONECT   21    3   52   53                                            
CONECT   22    5    5    4                                            
CONECT   23    5    6                                                 
CONECT   24    7    5   54                                            
CONECT   25    7    7    8   55                                       
CONECT   26   27    8    8   56                                       
CONECT   27    9    9   26   57                                       
CONECT   28    9   58   59   60                                       
CONECT   29    8   10   61                                            
CONECT   30   10   11   11   13                                       
CONECT   31   10   10                                                 
CONECT   32   11   33   33   62                                       
CONECT   33   32   32   12   14                                       
CONECT   34   35   16   14                                            
CONECT   35   15   34   63   64                                       
CONECT   36   38   15   37                                            
CONECT   37   36   16   65   66                                       
CONECT   38   36   67   68   69                                       
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    6                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   19                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   32                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   38                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
