COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.511   1.467   0.718  1.00  0.00           O  
HETATM    2  C   UNL     1       5.293  -1.082   0.352  1.00  0.00           C  
HETATM    3  C   UNL     1       6.490  -0.628  -0.485  1.00  0.00           C  
HETATM    4  C   UNL     1       6.500   0.897  -0.592  1.00  0.00           C  
HETATM    5  C   UNL     1       5.247   1.363  -1.342  1.00  0.00           C  
HETATM    6  C   UNL     1       4.031   0.795  -0.645  1.00  0.00           C  
HETATM    7  C   UNL     1       3.020   1.581  -0.291  1.00  0.00           C  
HETATM    8  C   UNL     1       1.791   0.993   0.266  1.00  0.00           C  
HETATM    9  C   UNL     1       0.743   1.768   0.525  1.00  0.00           C  
HETATM   10  C   UNL     1       0.742   3.271   0.271  1.00  0.00           C  
HETATM   11  C   UNL     1       3.995  -0.690  -0.362  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.475   3.687  -0.552  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.780   3.086   0.001  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.613   1.595   0.024  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.544   1.235   1.087  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.741  -0.283   1.082  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.246  -0.419   0.870  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.730   0.665   0.301  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.029   1.184  -1.329  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.181   0.911  -0.027  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.731   2.010   0.885  1.00  0.00           C  
HETATM   22  S   UNL     1      -5.126  -0.616   0.228  1.00  0.00           S  
HETATM   23  C   UNL     1      -6.785  -0.172  -0.355  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.718  -1.375  -0.204  1.00  0.00           C  
HETATM   25  O   UNL     1      -7.875  -1.685   1.182  1.00  0.00           O  
HETATM   26  C   UNL     1      -9.083  -1.041  -0.809  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.118  -2.580  -0.931  1.00  0.00           C  
HETATM   28  O   UNL     1       5.337  -2.500   0.518  1.00  0.00           O  
HETATM   29  O   UNL     1       7.699  -1.069   0.137  1.00  0.00           O  
HETATM   30  C   UNL     1       8.764  -1.326  -0.780  1.00  0.00           C  
HETATM   31  C   UNL     1      10.001  -1.789  -0.007  1.00  0.00           C  
HETATM   32  O   UNL     1       9.729  -3.045   0.619  1.00  0.00           O  
HETATM   33  C   UNL     1      -9.650   0.208  -0.131  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.052  -3.783  -0.782  1.00  0.00           C  
HETATM   35  H   UNL     1       6.517   2.434   0.726  1.00  0.00           H  
HETATM   36  H   UNL     1       5.330  -0.600   1.329  1.00  0.00           H  
HETATM   37  H   UNL     1       6.419  -1.061  -1.483  1.00  0.00           H  
HETATM   38  H   UNL     1       7.389   1.218  -1.135  1.00  0.00           H  
HETATM   39  H   UNL     1       5.199   2.452  -1.333  1.00  0.00           H  
HETATM   40  H   UNL     1       5.281   1.003  -2.371  1.00  0.00           H  
HETATM   41  H   UNL     1       3.100   2.651  -0.411  1.00  0.00           H  
HETATM   42  H   UNL     1       1.741  -0.067   0.463  1.00  0.00           H  
HETATM   43  H   UNL     1       0.724   3.795   1.227  1.00  0.00           H  
HETATM   44  H   UNL     1       1.649   3.543  -0.268  1.00  0.00           H  
HETATM   45  H   UNL     1       3.913  -1.240  -1.299  1.00  0.00           H  
HETATM   46  H   UNL     1       3.142  -0.920   0.277  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.554   4.774  -0.542  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.338   3.353  -1.580  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.959   3.454   1.011  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.615   3.355  -0.646  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.770   1.679   2.056  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.191  -0.742   0.261  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.444  -0.714   2.038  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.833  -1.280   1.154  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.061   1.666  -1.469  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.903   0.102  -1.357  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.706   1.492  -2.126  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.270   1.224  -1.067  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.642   1.696   1.926  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.163   2.927   0.732  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.780   2.187   0.648  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.167   0.661   0.236  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.735   0.120  -1.404  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.251  -0.964   1.706  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.970  -0.855  -1.878  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.763  -1.879  -0.656  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.997  -2.343  -1.988  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.146  -2.818  -0.499  1.00  0.00           H  
HETATM   69  H   UNL     1       4.606  -2.858   1.040  1.00  0.00           H  
HETATM   70  H   UNL     1       8.461  -2.105  -1.480  1.00  0.00           H  
HETATM   71  H   UNL     1       8.999  -0.415  -1.329  1.00  0.00           H  
HETATM   72  H   UNL     1      10.839  -1.900  -0.696  1.00  0.00           H  
HETATM   73  H   UNL     1      10.252  -1.050   0.754  1.00  0.00           H  
HETATM   74  H   UNL     1      10.472  -3.399   1.128  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.677   0.054   0.948  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.017   1.065  -0.360  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.660   0.393  -0.498  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.246  -3.962   0.276  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.992  -3.578  -1.294  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.583  -4.663  -1.220  1.00  0.00           H  
CONECT    1    4   35                                                 
CONECT    2    3   11   28   36                                       
CONECT    3    2    4   29   37                                       
CONECT    4    1    3    5   38                                       
CONECT    5    4    6   39   40                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   41                                       
CONECT    8    7    9    9   42                                       
CONECT    9    8    8   10   15                                       
CONECT   10    9   12   43   44                                       
CONECT   11    2    6   45   46                                       
CONECT   12   10   13   47   48                                       
CONECT   13   12   14   49   50                                       
CONECT   14   13   15   18   19                                       
CONECT   15    9   14   16   51                                       
CONECT   16   15   17   52   53                                       
CONECT   17   16   18   18   54                                       
CONECT   18   14   17   17   20                                       
CONECT   19   14   55   56   57                                       
CONECT   20   18   21   22   58                                       
CONECT   21   20   59   60   61                                       
CONECT   22   20   23                                                 
CONECT   23   22   24   62   63                                       
CONECT   24   23   25   26   27                                       
CONECT   25   24   64                                                 
CONECT   26   24   33   65   66                                       
CONECT   27   24   34   67   68                                       
CONECT   28    2   69                                                 
CONECT   29    3   30                                                 
CONECT   30   29   31   70   71                                       
CONECT   31   30   32   72   73                                       
CONECT   32   31   74                                                 
CONECT   33   26   75   76   77                                       
CONECT   34   27   78   79   80                                       
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
