COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       2.440   2.172  -0.692  1.00  0.00           C  
HETATM    2  C   UNL     1       1.415   2.877  -1.352  1.00  0.00           C  
HETATM    3  C   UNL     1       1.190   4.202  -1.071  1.00  0.00           C  
HETATM    4  C   UNL     1       1.970   4.861  -0.133  1.00  0.00           C  
HETATM    5  C   UNL     1       2.976   4.188   0.522  1.00  0.00           C  
HETATM    6  C   UNL     1       3.220   2.839   0.250  1.00  0.00           C  
HETATM    7  S   UNL     1       4.423   1.752   0.932  1.00  0.00           S  
HETATM    8  C   UNL     1       3.879   0.404  -0.047  1.00  0.00           C  
HETATM    9  N   UNL     1       4.431  -0.862  -0.013  1.00  0.00           N  
HETATM   10  C   UNL     1       5.463  -1.125   0.814  1.00  0.00           C  
HETATM   11  O   UNL     1       5.906  -0.249   1.530  1.00  0.00           O  
HETATM   12  N   UNL     1       6.002  -2.360   0.847  1.00  0.00           N  
HETATM   13  C   UNL     1       2.834   0.770  -0.842  1.00  0.00           C  
HETATM   14  C   UNL     1       2.170  -0.152  -1.762  1.00  0.00           C  
HETATM   15  N   UNL     1       1.114  -0.878  -1.344  1.00  0.00           N  
HETATM   16  O   UNL     1       2.571  -0.264  -2.906  1.00  0.00           O  
HETATM   17  C   UNL     1       0.437  -1.809  -2.257  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.060  -1.482  -2.272  1.00  0.00           C  
HETATM   19  C   UNL     1       0.623  -0.758   0.036  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.875  -0.441   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.598  -1.504  -0.840  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.040  -1.224  -0.854  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.751  -2.172  -1.719  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.221  -1.761  -1.834  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.853  -1.754  -0.438  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.591  -1.232   0.508  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.058  -0.817   0.468  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.644  -0.805   1.858  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.763  -1.772   2.572  1.00  0.00           O  
HETATM   30  O   UNL     1      -6.011   0.445   2.182  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.183   0.633  -0.038  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.185   1.241   0.971  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.616   1.111   0.447  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.845   2.707   1.244  1.00  0.00           C  
HETATM   35  C   UNL     1       7.122  -2.646   1.746  1.00  0.00           C  
HETATM   36  C   UNL     1       7.542  -4.109   1.588  1.00  0.00           C  
HETATM   37  H   UNL     1       0.803   2.372  -2.085  1.00  0.00           H  
HETATM   38  H   UNL     1       0.402   4.734  -1.584  1.00  0.00           H  
HETATM   39  H   UNL     1       1.788   5.903   0.083  1.00  0.00           H  
HETATM   40  H   UNL     1       3.580   4.707   1.252  1.00  0.00           H  
HETATM   41  H   UNL     1       4.077  -1.561  -0.585  1.00  0.00           H  
HETATM   42  H   UNL     1       5.648  -3.059   0.275  1.00  0.00           H  
HETATM   43  H   UNL     1       0.845  -1.698  -3.261  1.00  0.00           H  
HETATM   44  H   UNL     1       0.584  -2.832  -1.911  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.212  -0.492  -2.703  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.588  -2.224  -2.870  1.00  0.00           H  
HETATM   47  H   UNL     1       0.785  -1.698   0.564  1.00  0.00           H  
HETATM   48  H   UNL     1       1.155   0.046   0.544  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.273  -0.444   1.015  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.029   0.541  -0.448  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.423  -2.486  -0.401  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.296  -2.172  -2.710  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.687  -3.173  -1.291  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.287  -0.763  -2.268  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.750  -2.471  -2.469  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.884  -1.407  -0.507  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.834  -2.763  -0.025  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.508  -2.234   0.927  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.033  -0.531   1.130  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.222   1.146   0.011  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.586   0.659  -1.050  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.313   1.487   1.196  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.721   1.690  -0.470  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.834   0.062   0.242  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.818   2.783   1.599  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.955   3.283   0.324  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.522   3.102   2.002  1.00  0.00           H  
HETATM   68  H   UNL     1       7.963  -1.998   1.496  1.00  0.00           H  
HETATM   69  H   UNL     1       6.817  -2.464   2.776  1.00  0.00           H  
HETATM   70  H   UNL     1       6.701  -4.757   1.838  1.00  0.00           H  
HETATM   71  H   UNL     1       7.847  -4.291   0.558  1.00  0.00           H  
HETATM   72  H   UNL     1       8.376  -4.322   2.257  1.00  0.00           H  
CONECT    1    2    2    6   13                                       
CONECT    2    1    1    3   37                                       
CONECT    3    2    4    4   38                                       
CONECT    4    3    3    5   39                                       
CONECT    5    4    6    6   40                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   13   13                                       
CONECT    9    8   10   41                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   35   42                                            
CONECT   13    1    8    8   14                                       
CONECT   14   13   15   16   16                                       
CONECT   15   14   17   19                                            
CONECT   16   14   14                                                 
CONECT   17   15   18   43   44                                       
CONECT   18   17   21   45   46                                       
CONECT   19   15   20   47   48                                       
CONECT   20   19   21   49   50                                       
CONECT   21   18   20   22   51                                       
CONECT   22   21   23   26                                            
CONECT   23   22   24   52   53                                       
CONECT   24   23   25   54   55                                       
CONECT   25   24   27   56   57                                       
CONECT   26   22   27   58   59                                       
CONECT   27   25   26   28   31                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   32                                                 
CONECT   31   27   32   60   61                                       
CONECT   32   30   31   33   34                                       
CONECT   33   32   62   63   64                                       
CONECT   34   32   65   66   67                                       
CONECT   35   12   36   68   69                                       
CONECT   36   35   70   71   72                                       
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    9                                                      
CONECT   42   12                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   31                                                      
CONECT   61   31                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
