COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.395  -0.451   0.631  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.256  -0.861   0.509  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.141  -1.946  -0.650  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.537  -1.831   0.588  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.069  -2.136   0.740  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.438   2.066   0.036  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.721   5.845  -0.858  1.00  0.00           C  
HETATM    8  C   UNL     1       3.741   4.733  -0.304  1.00  0.00           C  
HETATM    9  C   UNL     1       0.945   1.792   0.175  1.00  0.00           C  
HETATM   10  C   UNL     1       4.451  -0.371   2.214  1.00  0.00           C  
HETATM   11  C   UNL     1       5.151  -1.042   1.060  1.00  0.00           C  
HETATM   12  C   UNL     1       6.465  -1.450   1.233  1.00  0.00           C  
HETATM   13  C   UNL     1       9.025  -2.217   1.653  1.00  0.00           C  
HETATM   14  C   UNL     1       6.454  -3.064  -3.263  1.00  0.00           C  
HETATM   15  C   UNL     1     -10.260  -0.589   1.362  1.00  0.00           C  
HETATM   16  O   UNL     1      -9.560  -0.991   0.183  1.00  0.00           O  
HETATM   17  C   UNL     1      -8.235  -1.268   0.316  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.491  -1.665  -0.791  1.00  0.00           C  
HETATM   19  O   UNL     1      -8.087  -1.777  -2.008  1.00  0.00           O  
HETATM   20  C   UNL     1      -7.261  -2.189  -3.099  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.829  -1.158   0.656  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.893  -0.152   0.492  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.315   1.064   0.203  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.854   3.367  -0.271  1.00  0.00           C  
HETATM   25  C   UNL     1       0.086   4.361  -0.433  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.315   5.624  -0.730  1.00  0.00           O  
HETATM   27  C   UNL     1       1.453   4.082  -0.294  1.00  0.00           C  
HETATM   28  O   UNL     1       2.363   5.080  -0.458  1.00  0.00           O  
HETATM   29  C   UNL     1       1.881   2.820   0.005  1.00  0.00           C  
HETATM   30  C   UNL     1       1.339   0.468   0.486  1.00  0.00           C  
HETATM   31  N   UNL     1       2.671   0.143   0.634  1.00  0.00           N  
HETATM   32  C   UNL     1       2.940  -0.378   1.984  1.00  0.00           C  
HETATM   33  C   UNL     1       7.148  -2.067   0.200  1.00  0.00           C  
HETATM   34  O   UNL     1       8.437  -2.466   0.375  1.00  0.00           O  
HETATM   35  C   UNL     1       6.511  -2.277  -1.019  1.00  0.00           C  
HETATM   36  O   UNL     1       7.173  -2.882  -2.041  1.00  0.00           O  
HETATM   37  C   UNL     1       5.200  -1.869  -1.186  1.00  0.00           C  
HETATM   38  C   UNL     1       3.090  -0.831  -0.379  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.276  -1.436   1.688  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.623  -1.155   1.554  1.00  0.00           C  
HETATM   41  H   UNL     1      -3.447  -0.485  -0.496  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.548  -0.107   1.240  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.560  -2.250  -1.508  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.777  -2.890   0.008  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.878  -2.512   1.745  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.116   5.217  -1.657  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.215   5.594   0.080  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.904   6.893  -1.096  1.00  0.00           H  
HETATM   49  H   UNL     1       3.908   4.347   0.702  1.00  0.00           H  
HETATM   50  H   UNL     1       4.008   3.970  -1.035  1.00  0.00           H  
HETATM   51  H   UNL     1       4.358   5.618  -0.461  1.00  0.00           H  
HETATM   52  H   UNL     1       4.679  -0.907   3.136  1.00  0.00           H  
HETATM   53  H   UNL     1       4.799   0.658   2.300  1.00  0.00           H  
HETATM   54  H   UNL     1       6.958  -1.285   2.180  1.00  0.00           H  
HETATM   55  H   UNL     1       9.021  -1.146   1.853  1.00  0.00           H  
HETATM   56  H   UNL     1       8.451  -2.733   2.424  1.00  0.00           H  
HETATM   57  H   UNL     1      10.052  -2.584   1.658  1.00  0.00           H  
HETATM   58  H   UNL     1       5.575  -3.681  -3.078  1.00  0.00           H  
HETATM   59  H   UNL     1       6.143  -2.093  -3.649  1.00  0.00           H  
HETATM   60  H   UNL     1       7.097  -3.556  -3.993  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.305  -0.400   1.116  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.200  -1.381   2.108  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.810   0.320   1.760  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.859  -2.237  -4.009  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.452  -1.471  -3.234  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.842  -3.172  -2.886  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.541  -2.059   0.869  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.905   3.591  -0.380  1.00  0.00           H  
HETATM   69  H   UNL     1       2.936   2.616   0.111  1.00  0.00           H  
HETATM   70  H   UNL     1       2.562  -1.398   2.065  1.00  0.00           H  
HETATM   71  H   UNL     1       2.453   0.256   2.725  1.00  0.00           H  
HETATM   72  H   UNL     1       4.703  -2.031  -2.131  1.00  0.00           H  
HETATM   73  H   UNL     1       2.444  -1.707  -0.324  1.00  0.00           H  
HETATM   74  H   UNL     1       3.004  -0.382  -1.368  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.801  -1.348   2.654  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.198  -0.846   2.415  1.00  0.00           H  
HETATM   77  C   UNL     1       4.518  -1.252  -0.147  1.00  0.00           C  
CONECT    1   22   22   30                                            
CONECT    2    5   21   41   42                                       
CONECT    3    4    4   18   43                                       
CONECT    4    3    3    5   39                                       
CONECT    5    2    4   44   45                                       
CONECT    6    9   23   23   24                                       
CONECT    7   26   46   47   48                                       
CONECT    8   28   49   50   51                                       
CONECT    9    6   29   30   30                                       
CONECT   10   11   32   52   53                                       
CONECT   11   10   12   12   77                                       
CONECT   12   11   11   33   54                                       
CONECT   13   34   55   56   57                                       
CONECT   14   36   58   59   60                                       
CONECT   15   16   61   62   63                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   18   40                                       
CONECT   18    3   17   17   19                                       
CONECT   19   18   20                                                 
CONECT   20   19   64   65   66                                       
CONECT   21    2   22   67                                            
CONECT   22    1    1   21   23                                       
CONECT   23    6    6   22                                            
CONECT   24    6   25   25   68                                       
CONECT   25   24   24   26   27                                       
CONECT   26    7   25                                                 
CONECT   27   25   28   29   29                                       
CONECT   28    8   27                                                 
CONECT   29    9   27   27   69                                       
CONECT   30    1    9    9   31                                       
CONECT   31   30   32   38                                            
CONECT   32   10   31   70   71                                       
CONECT   33   12   34   35   35                                       
CONECT   34   13   33                                                 
CONECT   35   33   33   36   37                                       
CONECT   36   14   35                                                 
CONECT   37   77   77   35   72                                       
CONECT   38   31   73   74   77                                       
CONECT   39    4   40   40   75                                       
CONECT   40   17   39   39   76                                       
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   24                                                      
CONECT   69   29                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   11   37   37   38                                       
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
