COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.377   0.640  -0.233  1.00  0.00           N  
HETATM    2  N   UNL     1       3.908  -3.595  -1.899  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.649   0.038   0.539  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.370  -0.271  -0.196  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.386   2.016   0.316  1.00  0.00           C  
HETATM    6  C   UNL     1       0.358   2.861  -0.740  1.00  0.00           C  
HETATM    7  C   UNL     1       0.971   0.490  -0.826  1.00  0.00           C  
HETATM    8  C   UNL     1       4.174  -0.601   0.965  1.00  0.00           C  
HETATM    9  C   UNL     1       5.418   3.006   0.913  1.00  0.00           C  
HETATM   10  C   UNL     1       5.115  -1.712   0.496  1.00  0.00           C  
HETATM   11  C   UNL     1       5.278  -4.181  -0.020  1.00  0.00           C  
HETATM   12  C   UNL     1       1.251   1.857  -1.497  1.00  0.00           C  
HETATM   13  C   UNL     1       0.064   2.591  -2.217  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.177   1.762  -2.556  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.017  -0.283   0.060  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.523   0.876  -1.013  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.781  -0.402   1.119  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.154  -1.832   2.120  1.00  0.00           C  
HETATM   19  C   UNL     1       4.970   0.648   1.244  1.00  0.00           C  
HETATM   20  C   UNL     1       4.646   1.794   0.643  1.00  0.00           C  
HETATM   21  C   UNL     1       5.052   4.301   0.234  1.00  0.00           C  
HETATM   22  C   UNL     1       4.327  -3.013   0.333  1.00  0.00           C  
HETATM   23  C   UNL     1       5.208  -4.187  -1.564  1.00  0.00           C  
HETATM   24  C   UNL     1       3.395  -2.921  -0.855  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.497  -0.345   2.012  1.00  0.00           C  
HETATM   26  C   UNL     1       0.419   3.686  -3.225  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.406  -0.503  -0.361  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.354  -1.480  -1.061  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.374   0.484   2.641  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.809  -0.069   2.750  1.00  0.00           C  
HETATM   31  C   UNL     1       1.990   0.207   0.248  1.00  0.00           C  
HETATM   32  N   UNL     1       3.184  -0.326  -0.079  1.00  0.00           N  
HETATM   33  N   UNL     1      -3.749  -0.727  -0.053  1.00  0.00           N  
HETATM   34  N   UNL     1      -6.029  -0.987  -0.484  1.00  0.00           N  
HETATM   35  O   UNL     1       6.354   2.969   1.684  1.00  0.00           O  
HETATM   36  O   UNL     1       2.337  -2.329  -0.864  1.00  0.00           O  
HETATM   37  O   UNL     1       1.735   0.459   1.407  1.00  0.00           O  
HETATM   38  O   UNL     1      -1.234  -1.339  -0.753  1.00  0.00           O  
HETATM   39  O   UNL     1      -5.247   0.753   0.654  1.00  0.00           O  
HETATM   40  H   UNL     1       3.477  -3.675  -2.764  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.865   1.104   0.461  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.409   2.371   0.436  1.00  0.00           H  
HETATM   43  H   UNL     1       0.141   2.047   1.270  1.00  0.00           H  
HETATM   44  H   UNL     1       0.726   3.841  -0.436  1.00  0.00           H  
HETATM   45  H   UNL     1       0.973  -0.307  -1.570  1.00  0.00           H  
HETATM   46  H   UNL     1       3.664  -0.917   1.875  1.00  0.00           H  
HETATM   47  H   UNL     1       5.558  -1.433  -0.460  1.00  0.00           H  
HETATM   48  H   UNL     1       5.904  -1.855   1.234  1.00  0.00           H  
HETATM   49  H   UNL     1       6.292  -3.975   0.324  1.00  0.00           H  
HETATM   50  H   UNL     1       4.913  -5.123   0.390  1.00  0.00           H  
HETATM   51  H   UNL     1       2.278   2.092  -1.778  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.603   1.355  -1.639  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.914   2.396  -3.049  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.897   0.945  -3.221  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.848   1.572  -0.514  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.256   0.804  -2.067  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.548   1.235  -0.921  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.806  -0.043   1.210  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.698  -1.385   1.583  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.106   0.294   1.617  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.219  -2.029   1.595  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.045  -2.105   3.170  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.954  -2.422   1.672  1.00  0.00           H  
HETATM   64  H   UNL     1       5.803   0.615   1.931  1.00  0.00           H  
HETATM   65  H   UNL     1       3.812   1.827  -0.044  1.00  0.00           H  
HETATM   66  H   UNL     1       4.332   4.842   0.848  1.00  0.00           H  
HETATM   67  H   UNL     1       5.947   4.908   0.103  1.00  0.00           H  
HETATM   68  H   UNL     1       4.612   4.088  -0.740  1.00  0.00           H  
HETATM   69  H   UNL     1       3.769  -3.237   1.242  1.00  0.00           H  
HETATM   70  H   UNL     1       5.266  -5.209  -1.940  1.00  0.00           H  
HETATM   71  H   UNL     1       6.016  -3.586  -1.980  1.00  0.00           H  
HETATM   72  H   UNL     1       1.023   3.260  -4.026  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.496   4.106  -3.643  1.00  0.00           H  
HETATM   74  H   UNL     1       0.984   4.472  -2.723  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.087  -1.552  -2.116  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.271  -2.463  -0.597  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.379  -1.120  -0.970  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.636   1.541   2.599  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.240   0.184   3.680  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.448   0.316   2.092  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.608  -0.659   2.302  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.700  -0.342   3.799  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.052   0.991   2.673  1.00  0.00           H  
HETATM   84  H   UNL     1       3.388  -0.527  -1.005  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.566  -1.554  -0.526  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.845  -1.813  -0.958  1.00  0.00           H  
CONECT    1    7    5    4                                            
CONECT    2   24   23   40                                            
CONECT    3    4   25   33   41                                       
CONECT    4    1   38   38    3                                       
CONECT    5    6    1   42   43                                       
CONECT    6   12   13    5   44                                       
CONECT    7   12   31    1   45                                       
CONECT    8   19   32   10   46                                       
CONECT    9   21   35   35   20                                       
CONECT   10    8   22   47   48                                       
CONECT   11   22   23   49   50                                       
CONECT   12   13    6    7   51                                       
CONECT   13   26   12    6   14                                       
CONECT   14   13   52   53   54                                       
CONECT   15   33   39   39   34                                       
CONECT   16   27   55   56   57                                       
CONECT   17   27   58   59   60                                       
CONECT   18   25   61   62   63                                       
CONECT   19   20   20    8   64                                       
CONECT   20    9   19   19   65                                       
CONECT   21    9   66   67   68                                       
CONECT   22   10   11   24   69                                       
CONECT   23   11    2   70   71                                       
CONECT   24   22   36   36    2                                       
CONECT   25   18    3   30   29                                       
CONECT   26   13   72   73   74                                       
CONECT   27   28   34   16   17                                       
CONECT   28   27   75   76   77                                       
CONECT   29   25   78   79   80                                       
CONECT   30   25   81   82   83                                       
CONECT   31   32   37   37    7                                       
CONECT   32    8   31   84                                            
CONECT   33    3   15   85                                            
CONECT   34   15   27   86                                            
CONECT   35    9    9                                                 
CONECT   36   24   24                                                 
CONECT   37   31   31                                                 
CONECT   38    4    4                                                 
CONECT   39   15   15                                                 
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
