COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.683   4.039  -1.401  1.00  0.00           C  
HETATM    2  C   UNL     1       1.870  -2.987  -0.495  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.389  -2.360   0.168  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.988   3.257  -1.562  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.931   5.271  -0.530  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.960   1.840   1.123  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.883   2.636   0.517  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.283  -3.100   1.123  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.467   2.887  -1.398  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.703   0.661   0.121  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.474  -0.147   0.446  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.743   1.539   0.479  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.711   0.784   0.900  1.00  0.00           N  
HETATM   14  N   UNL     1       3.098  -0.880  -0.680  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.667  -2.340   2.042  1.00  0.00           C  
HETATM   16  O   UNL     1       4.853  -0.435  -1.966  1.00  0.00           O  
HETATM   17  C   UNL     1       4.049  -0.045  -1.141  1.00  0.00           C  
HETATM   18  C   UNL     1       4.116   1.339  -0.646  1.00  0.00           C  
HETATM   19  C   UNL     1       5.055   2.164  -1.101  1.00  0.00           C  
HETATM   20  C   UNL     1       5.123   3.581  -0.594  1.00  0.00           C  
HETATM   21  N   UNL     1       6.467   3.847  -0.064  1.00  0.00           N  
HETATM   22  C   UNL     1       6.647   5.279   0.221  1.00  0.00           C  
HETATM   23  C   UNL     1       8.076   5.519   0.713  1.00  0.00           C  
HETATM   24  O   UNL     1       8.323   4.704   1.862  1.00  0.00           O  
HETATM   25  C   UNL     1       8.158   3.304   1.620  1.00  0.00           C  
HETATM   26  C   UNL     1       6.729   3.041   1.137  1.00  0.00           C  
HETATM   27  C   UNL     1       3.032  -2.258  -1.173  1.00  0.00           C  
HETATM   28  C   UNL     1       1.723  -4.385  -1.099  1.00  0.00           C  
HETATM   29  C   UNL     1       0.561  -5.114  -0.421  1.00  0.00           C  
HETATM   30  C   UNL     1       0.414  -6.512  -1.025  1.00  0.00           C  
HETATM   31  C   UNL     1       1.707  -7.300  -0.808  1.00  0.00           C  
HETATM   32  C   UNL     1       2.868  -6.571  -1.486  1.00  0.00           C  
HETATM   33  C   UNL     1       3.016  -5.174  -0.882  1.00  0.00           C  
HETATM   34  N   UNL     1       0.632  -2.233  -0.702  1.00  0.00           N  
HETATM   35  C   UNL     1      -1.663  -1.584  -0.046  1.00  0.00           C  
HETATM   36  N   UNL     1      -2.752  -2.217   0.702  1.00  0.00           N  
HETATM   37  O   UNL     1      -1.689  -1.927   2.628  1.00  0.00           O  
HETATM   38  C   UNL     1      -3.787  -2.991   2.811  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.442  -3.004   4.302  1.00  0.00           C  
HETATM   40  S   UNL     1      -2.925   1.529  -1.331  1.00  0.00           S  
HETATM   41  C   UNL     1      -4.510   2.075  -0.792  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.648   3.160  -0.747  1.00  0.00           C  
HETATM   43  H   UNL     1      -7.325   4.353  -2.382  1.00  0.00           H  
HETATM   44  H   UNL     1       2.069  -3.072   0.574  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.737   3.892  -2.036  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.812   2.378  -2.183  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.347   2.942  -0.582  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.289   4.957   0.451  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.001   5.828  -0.415  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.679   5.907  -1.003  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.160   1.440   2.107  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.809   2.862   1.025  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.285   3.296  -2.381  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.608   0.294  -0.047  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.316  -0.151   1.525  1.00  0.00           H  
HETATM   56  H   UNL     1       2.457  -0.569  -0.022  1.00  0.00           H  
HETATM   57  H   UNL     1       3.402   1.685   0.087  1.00  0.00           H  
HETATM   58  H   UNL     1       5.769   1.817  -1.834  1.00  0.00           H  
HETATM   59  H   UNL     1       4.912   4.270  -1.412  1.00  0.00           H  
HETATM   60  H   UNL     1       4.386   3.720   0.197  1.00  0.00           H  
HETATM   61  H   UNL     1       6.473   5.855  -0.688  1.00  0.00           H  
HETATM   62  H   UNL     1       5.940   5.588   0.990  1.00  0.00           H  
HETATM   63  H   UNL     1       8.782   5.260  -0.076  1.00  0.00           H  
HETATM   64  H   UNL     1       8.198   6.570   0.979  1.00  0.00           H  
HETATM   65  H   UNL     1       8.866   2.980   0.857  1.00  0.00           H  
HETATM   66  H   UNL     1       8.338   2.752   2.542  1.00  0.00           H  
HETATM   67  H   UNL     1       6.023   3.315   1.921  1.00  0.00           H  
HETATM   68  H   UNL     1       6.615   1.983   0.897  1.00  0.00           H  
HETATM   69  H   UNL     1       3.966  -2.771  -0.944  1.00  0.00           H  
HETATM   70  H   UNL     1       2.876  -2.251  -2.252  1.00  0.00           H  
HETATM   71  H   UNL     1       1.524  -4.300  -2.167  1.00  0.00           H  
HETATM   72  H   UNL     1       0.760  -5.199   0.648  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.360  -4.553  -0.575  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.414  -7.031  -0.541  1.00  0.00           H  
HETATM   75  H   UNL     1       0.215  -6.427  -2.093  1.00  0.00           H  
HETATM   76  H   UNL     1       1.906  -7.385   0.261  1.00  0.00           H  
HETATM   77  H   UNL     1       1.602  -8.296  -1.238  1.00  0.00           H  
HETATM   78  H   UNL     1       3.790  -7.133  -1.331  1.00  0.00           H  
HETATM   79  H   UNL     1       2.670  -6.486  -2.554  1.00  0.00           H  
HETATM   80  H   UNL     1       3.843  -4.654  -1.365  1.00  0.00           H  
HETATM   81  H   UNL     1       3.214  -5.259   0.187  1.00  0.00           H  
HETATM   82  H   UNL     1       0.547  -1.641  -1.466  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.909  -1.574  -1.108  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.535  -2.547   0.234  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.709  -2.429   2.657  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.922  -4.014   2.461  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.521  -3.565   4.456  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.307  -1.980   4.652  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.252  -3.475   4.858  1.00  0.00           H  
CONECT    1   42    4    5   43                                       
CONECT    2   27   28   34   44                                       
CONECT    3   34    8    8   35                                       
CONECT    4    1   45   46   47                                       
CONECT    5    1   48   49   50                                       
CONECT    6   12    7    7   51                                       
CONECT    7    6    6   42   52                                       
CONECT    8    3    3                                                 
CONECT    9   41   42   42   53                                       
CONECT   10   11   13   13   40                                       
CONECT   11   35   10   54   55                                       
CONECT   12   13   41   41    6                                       
CONECT   13   10   10   12                                            
CONECT   14   17   27   56                                            
CONECT   15   36   37   37   38                                       
CONECT   16   17   17                                                 
CONECT   17   16   16   18   14                                       
CONECT   18   19   19   17   57                                       
CONECT   19   20   18   18   58                                       
CONECT   20   21   19   59   60                                       
CONECT   21   26   22   20                                            
CONECT   22   21   23   61   62                                       
CONECT   23   24   22   63   64                                       
CONECT   24   25   23                                                 
CONECT   25   26   24   65   66                                       
CONECT   26   25   21   67   68                                       
CONECT   27   14    2   69   70                                       
CONECT   28   33    2   29   71                                       
CONECT   29   28   30   72   73                                       
CONECT   30   31   29   74   75                                       
CONECT   31   32   30   76   77                                       
CONECT   32   33   31   78   79                                       
CONECT   33   32   28   80   81                                       
CONECT   34    2    3   82                                            
CONECT   35    3   36   11   83                                       
CONECT   36   35   15   84                                            
CONECT   37   15   15                                                 
CONECT   38   39   15   85   86                                       
CONECT   39   38   87   88   89                                       
CONECT   40   10   41                                                 
CONECT   41   40   12   12    9                                       
CONECT   42    9    9    7    1                                       
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    9                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   14                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   39                                                      
CONECT   89   39                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
