COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.452  -0.155   0.486  1.00  0.00           C  
HETATM    2  C   UNL     1       6.117   0.960   1.296  1.00  0.00           C  
HETATM    3  C   UNL     1       7.627   0.719   1.352  1.00  0.00           C  
HETATM    4  C   UNL     1       8.195   0.712  -0.069  1.00  0.00           C  
HETATM    5  C   UNL     1       7.530  -0.403  -0.878  1.00  0.00           C  
HETATM    6  C   UNL     1       6.021  -0.162  -0.934  1.00  0.00           C  
HETATM    7  C   UNL     1       5.744   1.187  -1.601  1.00  0.00           C  
HETATM    8  C   UNL     1       7.918   2.061  -0.736  1.00  0.00           C  
HETATM    9  C   UNL     1       6.408   2.302  -0.792  1.00  0.00           C  
HETATM   10  C   UNL     1       9.682   0.475  -0.014  1.00  0.00           C  
HETATM   11  C   UNL     1       1.411  -3.079  -0.331  1.00  0.00           C  
HETATM   12  C   UNL     1       0.947  -1.809  -0.029  1.00  0.00           C  
HETATM   13  C   UNL     1       0.072   0.701   0.938  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.236   0.006   0.322  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.682   0.600  -0.855  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.367   0.012   1.210  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.956   0.499   1.201  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.427   0.909   1.094  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.844   0.274  -1.206  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.457   0.588  -0.186  1.00  0.00           C  
HETATM   21  C   UNL     1     -10.646   2.102  -0.289  1.00  0.00           C  
HETATM   22  C   UNL     1     -11.042  -0.084  -1.430  1.00  0.00           C  
HETATM   23  N   UNL     1      -9.024   0.279  -0.091  1.00  0.00           N  
HETATM   24  C   UNL     1     -11.175   0.067   1.060  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.315   0.684  -1.313  1.00  0.00           C  
HETATM   26  N   UNL     1      -6.247   0.905  -0.021  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.881   0.610   0.070  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.023   0.909  -0.988  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.080  -0.269   1.303  1.00  0.00           N  
HETATM   30  N   UNL     1      -0.887  -0.310   0.465  1.00  0.00           N  
HETATM   31  C   UNL     1       1.318   0.636   0.044  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.418  -1.595   0.162  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.305  -2.654   0.049  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.833  -3.919  -0.253  1.00  0.00           C  
HETATM   35  C   UNL     1       0.519  -4.129  -0.448  1.00  0.00           C  
HETATM   36  N   UNL     1       1.845  -0.736   0.089  1.00  0.00           N  
HETATM   37  C   UNL     1       3.166  -0.960   0.240  1.00  0.00           C  
HETATM   38  O   UNL     1       3.598  -2.095   0.203  1.00  0.00           O  
HETATM   39  N   UNL     1       4.007   0.076   0.433  1.00  0.00           N  
HETATM   40  C   UNL     1       5.840   2.309   0.629  1.00  0.00           C  
HETATM   41  O   UNL     1      10.233   0.326   1.056  1.00  0.00           O  
HETATM   42  N   UNL     1      10.400   0.428  -1.154  1.00  0.00           N  
HETATM   43  H   UNL     1       5.650  -1.116   0.961  1.00  0.00           H  
HETATM   44  H   UNL     1       5.712   0.965   2.308  1.00  0.00           H  
HETATM   45  H   UNL     1       8.101   1.514   1.928  1.00  0.00           H  
HETATM   46  H   UNL     1       7.824  -0.242   1.827  1.00  0.00           H  
HETATM   47  H   UNL     1       7.935  -0.408  -1.890  1.00  0.00           H  
HETATM   48  H   UNL     1       7.728  -1.364  -0.403  1.00  0.00           H  
HETATM   49  H   UNL     1       5.547  -0.956  -1.511  1.00  0.00           H  
HETATM   50  H   UNL     1       6.148   1.182  -2.613  1.00  0.00           H  
HETATM   51  H   UNL     1       4.668   1.358  -1.641  1.00  0.00           H  
HETATM   52  H   UNL     1       8.392   2.856  -0.159  1.00  0.00           H  
HETATM   53  H   UNL     1       8.323   2.056  -1.748  1.00  0.00           H  
HETATM   54  H   UNL     1       6.211   3.263  -1.267  1.00  0.00           H  
HETATM   55  H   UNL     1       2.468  -3.247  -0.481  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.377   1.692   0.873  1.00  0.00           H  
HETATM   57  H   UNL     1       0.348   0.490   1.971  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.989   0.817  -1.654  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.026  -0.226   2.032  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.503   0.989   2.063  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.887  -0.582   1.319  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.960   0.584   1.987  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.496   1.993   1.004  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.775  -0.810  -1.116  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.311   0.599  -2.099  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.134   2.473  -1.177  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.709   2.332  -0.359  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.229   2.581   0.597  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.907  -1.164  -1.357  1.00  0.00           H  
HETATM   70  H   UNL     1     -12.105   0.145  -1.501  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.530   0.286  -2.318  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.758   0.546   1.946  1.00  0.00           H  
HETATM   73  H   UNL     1     -12.238   0.296   0.990  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.040  -1.012   1.133  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.383   1.765  -1.431  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.767   0.194  -2.175  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.397   1.370  -1.889  1.00  0.00           H  
HETATM   78  H   UNL     1       1.049   0.893  -0.981  1.00  0.00           H  
HETATM   79  H   UNL     1       2.072   1.332   0.412  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.362  -2.492   0.198  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.525  -4.743  -0.344  1.00  0.00           H  
HETATM   82  H   UNL     1       0.881  -5.119  -0.685  1.00  0.00           H  
HETATM   83  H   UNL     1       3.655   0.974   0.536  1.00  0.00           H  
HETATM   84  H   UNL     1       4.765   2.481   0.589  1.00  0.00           H  
HETATM   85  H   UNL     1       6.314   3.104   1.206  1.00  0.00           H  
HETATM   86  H   UNL     1       9.959   0.547  -2.010  1.00  0.00           H  
HETATM   87  H   UNL     1      11.357   0.275  -1.118  1.00  0.00           H  
CONECT    1   39    6    2   43                                       
CONECT    2   40    1    3   44                                       
CONECT    3    2    4   45   46                                       
CONECT    4    8    5    3   10                                       
CONECT    5    6    4   47   48                                       
CONECT    6    7    1    5   49                                       
CONECT    7    9    6   50   51                                       
CONECT    8    9    4   52   53                                       
CONECT    9    7   40    8   54                                       
CONECT   10    4   41   41   42                                       
CONECT   11   35   12   12   55                                       
CONECT   12   11   11   32   36                                       
CONECT   13   30   31   56   57                                       
CONECT   14   15   30   29   29                                       
CONECT   15   28   28   14   58                                       
CONECT   16   27   27   29   59                                       
CONECT   17   18   26   60   61                                       
CONECT   18   23   17   62   63                                       
CONECT   19   25   26   64   65                                       
CONECT   20   22   24   23   21                                       
CONECT   21   20   66   67   68                                       
CONECT   22   20   69   70   71                                       
CONECT   23   18   20   25                                            
CONECT   24   20   72   73   74                                       
CONECT   25   23   19   75   76                                       
CONECT   26   17   27   19                                            
CONECT   27   28   26   16   16                                       
CONECT   28   15   15   27   77                                       
CONECT   29   14   14   16                                            
CONECT   30   32   14   13                                            
CONECT   31   36   13   78   79                                       
CONECT   32   33   33   12   30                                       
CONECT   33   34   32   32   80                                       
CONECT   34   35   35   33   81                                       
CONECT   35   34   34   11   82                                       
CONECT   36   12   31   37                                            
CONECT   37   36   39   38   38                                       
CONECT   38   37   37                                                 
CONECT   39   37    1   83                                            
CONECT   40    9    2   84   85                                       
CONECT   41   10   10                                                 
CONECT   42   10   86   87                                            
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   11                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   25                                                      
CONECT   77   28                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   39                                                      
CONECT   84   40                                                      
CONECT   85   40                                                      
CONECT   86   42                                                      
CONECT   87   42                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
