COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.278  -0.263   1.367  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.894  -0.117   1.045  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.582  -1.737   1.646  1.00  0.00           C  
HETATM    4  O   UNL     1      -7.972  -1.891   1.941  1.00  0.00           O  
HETATM    5  C   UNL     1      -6.225  -2.563   0.405  1.00  0.00           C  
HETATM    6  O   UNL     1      -6.640  -3.917   0.595  1.00  0.00           O  
HETATM    7  C   UNL     1      -6.948  -1.965  -0.807  1.00  0.00           C  
HETATM    8  O   UNL     1      -6.516  -2.627  -1.997  1.00  0.00           O  
HETATM    9  C   UNL     1      -6.615  -0.474  -0.900  1.00  0.00           C  
HETATM   10  O   UNL     1      -7.071   0.196   0.274  1.00  0.00           O  
HETATM   11  C   UNL     1      -7.305   0.125  -2.128  1.00  0.00           C  
HETATM   12  O   UNL     1      -6.900   1.486  -2.284  1.00  0.00           O  
HETATM   13  C   UNL     1       4.264  -4.492  -1.311  1.00  0.00           C  
HETATM   14  O   UNL     1       3.350  -3.425  -1.050  1.00  0.00           O  
HETATM   15  C   UNL     1       3.489  -5.805  -1.442  1.00  0.00           C  
HETATM   16  O   UNL     1       4.401  -6.880  -1.673  1.00  0.00           O  
HETATM   17  C   UNL     1       2.714  -6.060  -0.145  1.00  0.00           C  
HETATM   18  O   UNL     1       2.105  -7.352  -0.193  1.00  0.00           O  
HETATM   19  C   UNL     1       3.695  -5.997   1.031  1.00  0.00           C  
HETATM   20  O   UNL     1       2.974  -6.085   2.262  1.00  0.00           O  
HETATM   21  C   UNL     1       4.455  -4.670   0.976  1.00  0.00           C  
HETATM   22  O   UNL     1       5.199  -4.589  -0.238  1.00  0.00           O  
HETATM   23  C   UNL     1       5.413  -4.584   2.166  1.00  0.00           C  
HETATM   24  O   UNL     1       6.033  -3.297   2.187  1.00  0.00           O  
HETATM   25  C   UNL     1       2.868   7.608  -0.485  1.00  0.00           C  
HETATM   26  N   UNL     1       3.364   8.008   0.834  1.00  0.00           N  
HETATM   27  N   UNL     1       4.444   8.289   0.967  1.00  0.00           N1+
HETATM   28  N   UNL     1       5.524   8.571   1.101  1.00  0.00           N1-
HETATM   29  C   UNL     1       2.324   6.205  -0.413  1.00  0.00           C  
HETATM   30  C   UNL     1       0.994   5.999  -0.106  1.00  0.00           C  
HETATM   31  C   UNL     1       0.482   4.700  -0.037  1.00  0.00           C  
HETATM   32  C   UNL     1       3.157   5.130  -0.654  1.00  0.00           C  
HETATM   33  C   UNL     1       2.659   3.827  -0.589  1.00  0.00           C  
HETATM   34  C   UNL     1       1.319   3.612  -0.273  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.942   4.482   0.293  1.00  0.00           C  
HETATM   36  O   UNL     1      -1.670   5.432   0.504  1.00  0.00           O  
HETATM   37  N   UNL     1      -1.434   3.229   0.359  1.00  0.00           N  
HETATM   38  C   UNL     1      -2.846   3.012   0.685  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.142   1.511   0.695  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.617   1.285   1.035  1.00  0.00           C  
HETATM   41  C   UNL     1       3.553   2.678  -0.849  1.00  0.00           C  
HETATM   42  O   UNL     1       4.723   2.867  -1.119  1.00  0.00           O  
HETATM   43  N   UNL     1       3.070   1.421  -0.785  1.00  0.00           N  
HETATM   44  C   UNL     1       3.956   0.283  -1.042  1.00  0.00           C  
HETATM   45  C   UNL     1       3.165  -1.019  -0.908  1.00  0.00           C  
HETATM   46  C   UNL     1       4.090  -2.208  -1.176  1.00  0.00           C  
HETATM   47  H   UNL     1      -6.507   0.328   2.254  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.989  -2.077   2.494  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.153  -1.350   2.722  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.147  -2.530   0.242  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.170  -4.247   1.373  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.024  -2.093  -0.689  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.737  -3.562  -1.893  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.536  -0.349  -0.993  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.386   0.080  -1.995  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.024  -0.442  -3.015  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.356   1.825  -3.067  1.00  0.00           H  
HETATM   58  H   UNL     1       4.798  -4.293  -2.240  1.00  0.00           H  
HETATM   59  H   UNL     1       2.790  -5.733  -2.275  1.00  0.00           H  
HETATM   60  H   UNL     1       4.866  -6.679  -2.497  1.00  0.00           H  
HETATM   61  H   UNL     1       1.945  -5.298  -0.022  1.00  0.00           H  
HETATM   62  H   UNL     1       1.498  -7.347  -0.945  1.00  0.00           H  
HETATM   63  H   UNL     1       4.401  -6.825   0.962  1.00  0.00           H  
HETATM   64  H   UNL     1       2.511  -6.934   2.255  1.00  0.00           H  
HETATM   65  H   UNL     1       3.745  -3.844   1.022  1.00  0.00           H  
HETATM   66  H   UNL     1       4.857  -4.735   3.092  1.00  0.00           H  
HETATM   67  H   UNL     1       6.178  -5.355   2.073  1.00  0.00           H  
HETATM   68  H   UNL     1       6.627  -3.285   2.950  1.00  0.00           H  
HETATM   69  H   UNL     1       3.685   7.644  -1.206  1.00  0.00           H  
HETATM   70  H   UNL     1       2.077   8.289  -0.798  1.00  0.00           H  
HETATM   71  H   UNL     1       0.347   6.843   0.082  1.00  0.00           H  
HETATM   72  H   UNL     1       4.197   5.298  -0.894  1.00  0.00           H  
HETATM   73  H   UNL     1       0.929   2.606  -0.222  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.853   2.470   0.190  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.471   3.501  -0.062  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.060   3.431   1.668  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.517   1.022   1.442  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.928   1.092  -0.288  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.241   1.773   0.288  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.831   1.704   2.019  1.00  0.00           H  
HETATM   81  H   UNL     1       2.137   1.271  -0.570  1.00  0.00           H  
HETATM   82  H   UNL     1       4.362   0.359  -2.051  1.00  0.00           H  
HETATM   83  H   UNL     1       4.773   0.288  -0.321  1.00  0.00           H  
HETATM   84  H   UNL     1       2.759  -1.095   0.101  1.00  0.00           H  
HETATM   85  H   UNL     1       2.348  -1.024  -1.629  1.00  0.00           H  
HETATM   86  H   UNL     1       4.495  -2.132  -2.185  1.00  0.00           H  
HETATM   87  H   UNL     1       4.907  -2.203  -0.455  1.00  0.00           H  
CONECT    1    2    3   10   47                                       
CONECT    2    1   40                                                 
CONECT    3    1    4    5   48                                       
CONECT    4    3   49                                                 
CONECT    5    3    6    7   50                                       
CONECT    6    5   51                                                 
CONECT    7    5    8    9   52                                       
CONECT    8    7   53                                                 
CONECT    9    7   10   11   54                                       
CONECT   10    1    9                                                 
CONECT   11    9   12   55   56                                       
CONECT   12   11   57                                                 
CONECT   13   14   15   22   58                                       
CONECT   14   13   46                                                 
CONECT   15   13   16   17   59                                       
CONECT   16   15   60                                                 
CONECT   17   15   18   19   61                                       
CONECT   18   17   62                                                 
CONECT   19   17   20   21   63                                       
CONECT   20   19   64                                                 
CONECT   21   19   22   23   65                                       
CONECT   22   13   21                                                 
CONECT   23   21   24   66   67                                       
CONECT   24   23   68                                                 
CONECT   25   26   29   69   70                                       
CONECT   26   25   27   27                                            
CONECT   27   26   26   28   28                                       
CONECT   28   27   27                                                 
CONECT   29   25   30   30   32                                       
CONECT   30   29   29   31   71                                       
CONECT   31   30   34   34   35                                       
CONECT   32   29   33   33   72                                       
CONECT   33   32   32   34   41                                       
CONECT   34   31   31   33   73                                       
CONECT   35   31   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   38   74                                            
CONECT   38   37   39   75   76                                       
CONECT   39   38   40   77   78                                       
CONECT   40    2   39   79   80                                       
CONECT   41   33   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   41   44   81                                            
CONECT   44   43   45   82   83                                       
CONECT   45   44   46   84   85                                       
CONECT   46   14   45   86   87                                       
CONECT   47    1                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   30                                                      
CONECT   72   32                                                      
CONECT   73   34                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
CONECT   81   43                                                      
CONECT   82   44                                                      
CONECT   83   44                                                      
CONECT   84   45                                                      
CONECT   85   45                                                      
CONECT   86   46                                                      
CONECT   87   46                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
