COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.628  -1.053   0.237  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.579  -2.072   0.894  1.00  0.00           O  
HETATM    3  C   UNL     1      -5.894  -0.688  -0.494  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.911  -1.722  -0.259  1.00  0.00           N  
HETATM    5  O   UNL     1      -9.444  -2.685   0.477  1.00  0.00           O  
HETATM    6  C   UNL     1      -8.072  -1.528  -1.139  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.324  -1.745   1.151  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.078  -2.658  -0.905  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.337  -2.873   1.362  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.552  -0.245   0.167  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.321  -0.600   0.878  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.409  -0.112   2.325  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.143   0.051   0.199  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.315   0.743  -0.781  1.00  0.00           O  
HETATM   15  N   UNL     1       0.101  -0.136   0.682  1.00  0.00           N  
HETATM   16  C   UNL     1       1.246   0.497   0.023  1.00  0.00           C  
HETATM   17  C   UNL     1       1.414   1.923   0.550  1.00  0.00           C  
HETATM   18  C   UNL     1       0.218   2.750   0.153  1.00  0.00           C  
HETATM   19  C   UNL     1       0.220   3.434  -1.048  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.875   4.193  -1.414  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.977   4.267  -0.576  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.056   5.012  -0.934  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.156   5.042  -0.022  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.978   3.578   0.629  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.882   2.817   0.988  1.00  0.00           C  
HETATM   26  C   UNL     1       2.494  -0.296   0.313  1.00  0.00           C  
HETATM   27  O   UNL     1       2.433  -1.292   1.002  1.00  0.00           O  
HETATM   28  N   UNL     1       3.678   0.101  -0.194  1.00  0.00           N  
HETATM   29  C   UNL     1       4.891  -0.670   0.087  1.00  0.00           C  
HETATM   30  C   UNL     1       5.472  -0.229   1.406  1.00  0.00           C  
HETATM   31  O   UNL     1       5.103   0.803   1.913  1.00  0.00           O  
HETATM   32  C   UNL     1       6.513  -1.076   2.092  1.00  0.00           C  
HETATM   33  C   UNL     1       5.822  -2.157   2.925  1.00  0.00           C  
HETATM   34  C   UNL     1       7.365  -0.194   3.007  1.00  0.00           C  
HETATM   35  O   UNL     1       8.424  -0.973   3.567  1.00  0.00           O  
HETATM   36  C   UNL     1       5.915  -0.435  -1.025  1.00  0.00           C  
HETATM   37  C   UNL     1       5.383  -0.988  -2.322  1.00  0.00           C  
HETATM   38  C   UNL     1       5.642  -2.300  -2.672  1.00  0.00           C  
HETATM   39  C   UNL     1       5.154  -2.807  -3.862  1.00  0.00           C  
HETATM   40  C   UNL     1       4.408  -2.002  -4.702  1.00  0.00           C  
HETATM   41  C   UNL     1       4.148  -0.690  -4.352  1.00  0.00           C  
HETATM   42  C   UNL     1       4.632  -0.184  -3.160  1.00  0.00           C  
HETATM   43  H   UNL     1      -6.261   0.271  -0.128  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.689  -0.615  -1.562  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.542  -0.570  -0.915  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.747  -1.539  -2.180  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.452  -1.916   1.783  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.781  -0.791   1.412  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.625  -3.611  -1.180  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.966  -2.487  -1.513  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.689  -2.858   2.394  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.862  -3.832   1.153  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.592   0.572  -0.355  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.194  -1.683   0.866  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.536   0.970   2.337  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.261  -0.583   2.816  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.494  -0.377   2.854  1.00  0.00           H  
HETATM   58  H   UNL     1       0.238  -0.690   1.467  1.00  0.00           H  
HETATM   59  H   UNL     1       1.075   0.525  -1.053  1.00  0.00           H  
HETATM   60  H   UNL     1       1.496   1.901   1.637  1.00  0.00           H  
HETATM   61  H   UNL     1       2.316   2.363   0.127  1.00  0.00           H  
HETATM   62  H   UNL     1       1.079   3.377  -1.700  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.883   2.278   1.924  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.872   4.728  -2.352  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.835   3.634   1.283  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.948   5.671  -0.428  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.534   4.030   0.124  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.824   5.447   0.934  1.00  0.00           H  
HETATM   69  H   UNL     1       3.726   0.897  -0.746  1.00  0.00           H  
HETATM   70  H   UNL     1       4.645  -1.731   0.135  1.00  0.00           H  
HETATM   71  H   UNL     1       5.185  -1.688   3.674  1.00  0.00           H  
HETATM   72  H   UNL     1       5.215  -2.785   2.273  1.00  0.00           H  
HETATM   73  H   UNL     1       6.575  -2.770   3.421  1.00  0.00           H  
HETATM   74  H   UNL     1       7.786   0.629   2.429  1.00  0.00           H  
HETATM   75  H   UNL     1       6.744   0.205   3.809  1.00  0.00           H  
HETATM   76  H   UNL     1       9.006  -0.477   4.159  1.00  0.00           H  
HETATM   77  H   UNL     1       6.095   0.635  -1.133  1.00  0.00           H  
HETATM   78  H   UNL     1       6.849  -0.936  -0.772  1.00  0.00           H  
HETATM   79  H   UNL     1       6.225  -2.929  -2.016  1.00  0.00           H  
HETATM   80  H   UNL     1       5.357  -3.832  -4.135  1.00  0.00           H  
HETATM   81  H   UNL     1       4.027  -2.398  -5.632  1.00  0.00           H  
HETATM   82  H   UNL     1       3.566  -0.061  -5.009  1.00  0.00           H  
HETATM   83  H   UNL     1       4.427   0.840  -2.885  1.00  0.00           H  
HETATM   84  H   UNL     1       7.150  -1.546   1.343  1.00  0.00           H  
CONECT    1    2    2    3   10                                       
CONECT    2    1    1                                                 
CONECT    3    4    1   43   44                                       
CONECT    4    6    7    3                                            
CONECT    5    8    9                                                 
CONECT    6    8    4   45   46                                       
CONECT    7    4    9   47   48                                       
CONECT    8    6    5   49   50                                       
CONECT    9    7    5   51   52                                       
CONECT   10    1   11   53                                            
CONECT   11   13   10   12   54                                       
CONECT   12   11   55   56   57                                       
CONECT   13   15   14   14   11                                       
CONECT   14   13   13                                                 
CONECT   15   16   13   58                                            
CONECT   16   26   17   15   59                                       
CONECT   17   16   18   60   61                                       
CONECT   18   17   19   19   25                                       
CONECT   19   18   18   20   62                                       
CONECT   20   19   21   21   64                                       
CONECT   21   20   20   24   22                                       
CONECT   22   21   23                                                 
CONECT   23   22   66   67   68                                       
CONECT   24   25   25   21   65                                       
CONECT   25   18   24   24   63                                       
CONECT   26   28   27   27   16                                       
CONECT   27   26   26                                                 
CONECT   28   29   26   69                                            
CONECT   29   30   36   28   70                                       
CONECT   30   32   31   31   29                                       
CONECT   31   30   30                                                 
CONECT   32   30   33   34   84                                       
CONECT   33   32   71   72   73                                       
CONECT   34   32   35   74   75                                       
CONECT   35   34   76                                                 
CONECT   36   29   37   77   78                                       
CONECT   37   36   38   38   42                                       
CONECT   38   37   37   39   79                                       
CONECT   39   38   40   40   80                                       
CONECT   40   39   39   41   81                                       
CONECT   41   42   42   40   82                                       
CONECT   42   37   41   41   83                                       
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   19                                                      
CONECT   63   25                                                      
CONECT   64   20                                                      
CONECT   65   24                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   36                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   42                                                      
CONECT   84   32                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
