COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.579   0.449  -1.884  1.00  0.00           C  
HETATM    2  C   UNL     1       7.288   0.174  -1.474  1.00  0.00           C  
HETATM    3  C   UNL     1       6.477   1.194  -1.011  1.00  0.00           C  
HETATM    4  C   UNL     1       6.958   2.489  -0.959  1.00  0.00           C  
HETATM    5  C   UNL     1       8.250   2.763  -1.368  1.00  0.00           C  
HETATM    6  C   UNL     1       9.060   1.743  -1.832  1.00  0.00           C  
HETATM    7  C   UNL     1       5.069   0.894  -0.565  1.00  0.00           C  
HETATM    8  S   UNL     1       5.067   0.500   1.205  1.00  0.00           S  
HETATM    9  N   UNL     1       3.478   0.195   1.559  1.00  0.00           N  
HETATM   10  C   UNL     1       1.477  -1.173   1.279  1.00  0.00           C  
HETATM   11  N   UNL     1       0.864  -2.234   0.720  1.00  0.00           N  
HETATM   12  C   UNL     1       1.533  -3.054  -0.135  1.00  0.00           C  
HETATM   13  C   UNL     1       2.829  -2.823  -0.444  1.00  0.00           C  
HETATM   14  C   UNL     1       3.501  -1.727   0.119  1.00  0.00           C  
HETATM   15  O   UNL     1       0.863  -0.446   2.044  1.00  0.00           O  
HETATM   16  C   UNL     1       0.822  -4.234  -0.745  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.540  -2.509   1.036  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.427  -1.786   0.056  1.00  0.00           C  
HETATM   19  C   UNL     1       2.832  -0.905   0.983  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.767  -1.893   0.154  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.073  -1.472  -0.473  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.876  -0.751   0.368  1.00  0.00           N  
HETATM   23  C   UNL     1      -7.090  -1.343   0.367  1.00  0.00           C  
HETATM   24  N   UNL     1      -7.050  -2.376  -0.428  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.823  -2.480  -0.959  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.491   0.442   1.127  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.644   1.663   0.257  1.00  0.00           C  
HETATM   28  N   UNL     1      -5.345   2.882   0.748  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.494   4.069  -0.098  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.952   4.197  -0.544  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.092   5.314   0.696  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.594   3.934  -1.327  1.00  0.00           C  
HETATM   33  O   UNL     1      -6.036   1.548  -0.885  1.00  0.00           O  
HETATM   34  O   UNL     1      -0.935  -1.107  -0.820  1.00  0.00           O  
HETATM   35  O   UNL     1       5.722  -0.739   1.441  1.00  0.00           O  
HETATM   36  O   UNL     1       5.382   1.653   1.973  1.00  0.00           O  
HETATM   37  C   UNL     1      -5.363  -3.538  -1.928  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.629  -1.189  -0.799  1.00  0.00           C  
HETATM   39  H   UNL     1       9.214  -0.349  -2.240  1.00  0.00           H  
HETATM   40  H   UNL     1       6.912  -0.838  -1.515  1.00  0.00           H  
HETATM   41  H   UNL     1       6.325   3.286  -0.599  1.00  0.00           H  
HETATM   42  H   UNL     1       8.625   3.775  -1.327  1.00  0.00           H  
HETATM   43  H   UNL     1      10.069   1.958  -2.152  1.00  0.00           H  
HETATM   44  H   UNL     1       4.438   1.765  -0.744  1.00  0.00           H  
HETATM   45  H   UNL     1       4.683   0.044  -1.127  1.00  0.00           H  
HETATM   46  H   UNL     1       2.996   0.779   2.164  1.00  0.00           H  
HETATM   47  H   UNL     1       3.348  -3.482  -1.124  1.00  0.00           H  
HETATM   48  H   UNL     1       4.536  -1.538  -0.123  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.077  -3.891  -1.258  1.00  0.00           H  
HETATM   50  H   UNL     1       1.482  -4.727  -1.458  1.00  0.00           H  
HETATM   51  H   UNL     1       0.546  -4.937   0.041  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.724  -3.582   0.970  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.758  -2.165   2.047  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.160  -2.435   0.855  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.950  -1.016   0.932  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.133   0.537   2.003  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.453   0.350   1.446  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.032   2.973   1.662  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.593   4.293   0.332  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.062   5.080  -1.174  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.238   3.310  -1.109  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.054   5.222   1.014  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.203   6.197   0.066  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.734   5.409   1.572  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.880   3.047  -1.892  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.705   4.818  -1.957  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.555   3.843  -1.009  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.963  -4.388  -1.376  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.207  -3.865  -2.536  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.588  -3.127  -2.575  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.445  -0.117  -0.733  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.410  -1.533  -1.810  1.00  0.00           H  
CONECT    1    2    2    6   39                                       
CONECT    2    1    1    3   40                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5   41                                       
CONECT    5    4    6    6   42                                       
CONECT    6    1    5    5   43                                       
CONECT    7    3    8   44   45                                       
CONECT    8    7    9   35   35                                       
CONECT    8   36   36                                                 
CONECT    9    8   19   46                                            
CONECT   10   11   15   15   19                                       
CONECT   11   10   12   17                                            
CONECT   12   11   13   13   16                                       
CONECT   13   12   12   14   47                                       
CONECT   14   13   19   19   48                                       
CONECT   15   10   10                                                 
CONECT   16   12   49   50   51                                       
CONECT   17   11   18   52   53                                       
CONECT   18   17   20   34   34                                       
CONECT   19    9   10   14   14                                       
CONECT   20   18   38   54                                            
CONECT   21   22   25   25   38                                       
CONECT   22   21   23   26                                            
CONECT   23   22   24   24   55                                       
CONECT   24   23   23   25                                            
CONECT   25   21   21   24   37                                       
CONECT   26   22   27   56   57                                       
CONECT   27   26   28   33   33                                       
CONECT   28   27   29   58                                            
CONECT   29   28   30   31   32                                       
CONECT   30   29   59   60   61                                       
CONECT   31   29   62   63   64                                       
CONECT   32   29   65   66   67                                       
CONECT   33   27   27                                                 
CONECT   34   18   18                                                 
CONECT   35    8    8                                                 
CONECT   36    8    8                                                 
CONECT   37   25   68   69   70                                       
CONECT   38   20   21   71   72                                       
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    9                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   20                                                      
CONECT   55   23                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   28                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
