COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.403  -1.323   1.899  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.560  -1.886   0.783  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.253  -0.475  -2.583  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.615   0.649  -3.556  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.625   1.803  -3.394  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.381   3.070  -2.988  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.776   3.635  -1.701  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.897   3.981  -0.719  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.374   3.870   0.714  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.518   3.467   1.646  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.116   2.223   2.440  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.821   1.017   1.876  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.311   0.053  -1.149  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.764  -2.565  -0.960  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.312  -1.149  -0.598  1.00  0.00           C  
HETATM   16  C   UNL     1       1.540   0.158   0.252  1.00  0.00           C  
HETATM   17  C   UNL     1       2.959   0.079   0.752  1.00  0.00           C  
HETATM   18  C   UNL     1       4.012   0.200  -0.135  1.00  0.00           C  
HETATM   19  C   UNL     1       5.314   0.127   0.323  1.00  0.00           C  
HETATM   20  C   UNL     1       5.563  -0.066   1.669  1.00  0.00           C  
HETATM   21  C   UNL     1       4.511  -0.186   2.557  1.00  0.00           C  
HETATM   22  C   UNL     1       3.208  -0.108   2.099  1.00  0.00           C  
HETATM   23  C   UNL     1       6.462   0.258  -0.644  1.00  0.00           C  
HETATM   24  C   UNL     1       7.325   1.459  -0.252  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.194  -2.522  -1.502  1.00  0.00           C  
HETATM   26  C   UNL     1       7.311  -1.015  -0.604  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.745  -0.845   1.341  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.874  -0.334   3.718  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.246  -1.628  -2.743  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.685  -0.183   2.507  1.00  0.00           N  
HETATM   31  N   UNL     1      -3.100  -1.952  -0.474  1.00  0.00           N  
HETATM   32  N   UNL     1       1.071  -1.187  -0.105  1.00  0.00           N  
HETATM   33  O   UNL     1      -3.500   1.113   0.875  1.00  0.00           O  
HETATM   34  O   UNL     1       0.107  -3.103  -1.957  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.722  -3.391   0.206  1.00  0.00           O  
HETATM   36  O   UNL     1      -1.430  -2.272   0.994  1.00  0.00           O  
HETATM   37  H   UNL     1      -3.573  -2.092   2.652  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.245  -0.831  -2.799  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.571   0.273  -4.578  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.624   1.002  -3.343  1.00  0.00           H  
HETATM   41  H   UNL     1       0.103   1.552  -2.622  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.109   1.975  -4.338  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.301   3.812  -3.783  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.431   2.829  -2.820  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.118   2.891  -1.252  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.205   4.534  -1.931  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.239   5.000  -0.903  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.728   3.289  -0.857  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.588   3.115   0.756  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.970   4.832   1.029  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.731   4.285   2.334  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.408   3.249   1.055  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.038   2.080   2.370  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.398   2.353   3.485  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.909   0.965  -1.122  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.765  -0.698  -0.503  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.302   0.270  -0.800  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.366  -0.514  -1.482  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.963  -0.747   0.178  1.00  0.00           H  
HETATM   60  H   UNL     1       0.901   0.569   1.035  1.00  0.00           H  
HETATM   61  H   UNL     1       1.499   0.803  -0.626  1.00  0.00           H  
HETATM   62  H   UNL     1       3.818   0.351  -1.187  1.00  0.00           H  
HETATM   63  H   UNL     1       6.581  -0.127   2.027  1.00  0.00           H  
HETATM   64  H   UNL     1       4.705  -0.337   3.608  1.00  0.00           H  
HETATM   65  H   UNL     1       2.386  -0.202   2.792  1.00  0.00           H  
HETATM   66  H   UNL     1       6.073   0.404  -1.652  1.00  0.00           H  
HETATM   67  H   UNL     1       8.156   1.554  -0.952  1.00  0.00           H  
HETATM   68  H   UNL     1       6.721   2.366  -0.281  1.00  0.00           H  
HETATM   69  H   UNL     1       7.714   1.313   0.755  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.519  -3.530  -1.759  1.00  0.00           H  
HETATM   71  H   UNL     1       7.700  -1.160   0.404  1.00  0.00           H  
HETATM   72  H   UNL     1       6.696  -1.870  -0.883  1.00  0.00           H  
HETATM   73  H   UNL     1       8.141  -0.920  -1.304  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.599   0.085   0.791  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.151  -1.603   0.672  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.440  -0.675   2.163  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.850  -0.582   3.441  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.883   0.600   4.280  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.287  -1.133   4.335  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.253  -1.227  -2.860  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.984  -2.214  -3.624  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.000  -1.651  -0.676  1.00  0.00           H  
HETATM   83  H   UNL     1       1.684  -1.615  -0.783  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.245  -3.882  -2.408  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.556  -3.428   0.692  1.00  0.00           H  
CONECT    1    2   27   30   37                                       
CONECT    2   36   36   31    1                                       
CONECT    3   13   29    4   38                                       
CONECT    4    3    5   39   40                                       
CONECT    5    4    6   41   42                                       
CONECT    6    5    7   43   44                                       
CONECT    7    6    8   45   46                                       
CONECT    8    7    9   47   48                                       
CONECT    9   10    8   49   50                                       
CONECT   10   11    9   51   52                                       
CONECT   11   12   10   53   54                                       
CONECT   12   30   33   33   11                                       
CONECT   13    3   55   56   57                                       
CONECT   14   15   35   25   34                                       
CONECT   15   32   14   58   59                                       
CONECT   16   17   32   60   61                                       
CONECT   17   22   22   18   16                                       
CONECT   18   19   19   17   62                                       
CONECT   19   23   20   18   18                                       
CONECT   20   21   21   19   63                                       
CONECT   21   20   20   22   64                                       
CONECT   22   21   17   17   65                                       
CONECT   23   24   26   19   66                                       
CONECT   24   23   67   68   69                                       
CONECT   25   14   29   31   70                                       
CONECT   26   23   71   72   73                                       
CONECT   27    1   74   75   76                                       
CONECT   28   30   77   78   79                                       
CONECT   29   25    3   80   81                                       
CONECT   30    1   28   12                                            
CONECT   31   25    2   82                                            
CONECT   32   16   15   83                                            
CONECT   33   12   12                                                 
CONECT   34   14   84                                                 
CONECT   35   14   85                                                 
CONECT   36    2    2                                                 
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   18                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
