COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.085  -3.161   0.857  1.00  0.00           N  
HETATM    2  N   UNL     1       1.293  -2.690   0.396  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.140  -4.761  -0.982  1.00  0.00           C  
HETATM    4  C   UNL     1       1.940  -3.371  -0.730  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.766  -3.562  -0.278  1.00  0.00           C  
HETATM    6  C   UNL     1       1.377  -4.789  -0.833  1.00  0.00           C  
HETATM    7  C   UNL     1       0.078   3.756  -0.412  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.094   4.276  -1.203  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.920   5.775  -1.451  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.381   4.033  -0.412  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.472   3.499  -1.342  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.738   3.226  -0.524  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.145  -3.902   0.227  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.397  -3.311   0.782  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.491  -2.427   0.242  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.292  -1.071   0.094  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.311  -0.266  -0.412  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.536  -0.836  -0.762  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.733  -2.193  -0.602  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.717  -2.986  -0.096  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.100   1.191  -0.585  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.916   1.738  -0.350  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.565   3.498   1.917  1.00  0.00           C  
HETATM   24  O   UNL     1       0.144   3.943   0.785  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.384  -5.012   0.641  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.130   3.079   0.622  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.109  -2.961   0.214  1.00  0.00           O  
HETATM   28  N   UNL     1       1.064   3.073  -1.058  1.00  0.00           N  
HETATM   29  C   UNL     1       2.222   2.657  -0.241  1.00  0.00           C  
HETATM   30  C   UNL     1       2.394   1.167  -0.384  1.00  0.00           C  
HETATM   31  O   UNL     1       2.007   0.592  -1.380  1.00  0.00           O  
HETATM   32  C   UNL     1       1.970   3.008   1.227  1.00  0.00           C  
HETATM   33  C   UNL     1       1.792   4.521   1.366  1.00  0.00           C  
HETATM   34  C   UNL     1       0.704   2.298   1.711  1.00  0.00           C  
HETATM   35  N   UNL     1       2.996   0.477   0.632  1.00  0.00           N  
HETATM   36  C   UNL     1       3.096  -0.989   0.428  1.00  0.00           C  
HETATM   37  C   UNL     1       4.337  -1.524   1.145  1.00  0.00           C  
HETATM   38  C   UNL     1       5.574  -0.948   0.505  1.00  0.00           C  
HETATM   39  C   UNL     1       6.102   0.242   0.970  1.00  0.00           C  
HETATM   40  C   UNL     1       7.238   0.772   0.385  1.00  0.00           C  
HETATM   41  C   UNL     1       6.183  -1.613  -0.542  1.00  0.00           C  
HETATM   42  C   UNL     1       7.321  -1.083  -1.130  1.00  0.00           C  
HETATM   43  C   UNL     1       7.846   0.115  -0.666  1.00  0.00           C  
HETATM   44  O   UNL     1       7.922  -1.735  -2.160  1.00  0.00           O  
HETATM   45  C   UNL     1       1.867  -1.638   0.996  1.00  0.00           C  
HETATM   46  O   UNL     1       1.382  -1.200   2.018  1.00  0.00           O  
HETATM   47  H   UNL     1       0.217  -3.929   1.498  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.554  -5.676  -0.558  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.390  -4.719  -2.042  1.00  0.00           H  
HETATM   50  H   UNL     1       1.735  -2.828  -1.653  1.00  0.00           H  
HETATM   51  H   UNL     1       3.017  -3.414  -0.563  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.848  -2.723  -0.976  1.00  0.00           H  
HETATM   53  H   UNL     1       1.638  -5.345   0.068  1.00  0.00           H  
HETATM   54  H   UNL     1       1.813  -5.286  -1.699  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.150   3.753  -2.158  1.00  0.00           H  
HETATM   56  H   UNL     1       0.000   5.946  -2.011  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.768   6.150  -2.024  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.867   6.298  -0.496  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.714   4.970   0.035  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.689   4.238  -2.113  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.133   2.573  -1.809  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.647   3.698   0.454  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.603   3.636  -1.046  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.352  -3.202   1.865  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.625  -4.349   0.538  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.345  -0.632   0.370  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.329  -0.217  -1.156  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.680  -2.636  -0.871  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.878  -4.045   0.036  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.928   1.823  -0.896  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.071   1.123  -0.058  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.184   2.807   2.669  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.187   4.500   2.121  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.654   3.506   1.950  1.00  0.00           H  
HETATM   75  H   UNL     1       1.007   2.871  -2.006  1.00  0.00           H  
HETATM   76  H   UNL     1       3.121   3.165  -0.591  1.00  0.00           H  
HETATM   77  H   UNL     1       2.820   2.685   1.829  1.00  0.00           H  
HETATM   78  H   UNL     1       1.161   4.888   0.556  1.00  0.00           H  
HETATM   79  H   UNL     1       1.321   4.745   2.323  1.00  0.00           H  
HETATM   80  H   UNL     1       2.766   5.008   1.318  1.00  0.00           H  
HETATM   81  H   UNL     1       0.965   1.312   2.096  1.00  0.00           H  
HETATM   82  H   UNL     1       0.237   2.886   2.501  1.00  0.00           H  
HETATM   83  H   UNL     1       0.008   2.190   0.879  1.00  0.00           H  
HETATM   84  H   UNL     1       3.333   0.914   1.430  1.00  0.00           H  
HETATM   85  H   UNL     1       3.164  -1.205  -0.638  1.00  0.00           H  
HETATM   86  H   UNL     1       4.303  -1.234   2.195  1.00  0.00           H  
HETATM   87  H   UNL     1       4.360  -2.611   1.068  1.00  0.00           H  
HETATM   88  H   UNL     1       5.628   0.758   1.791  1.00  0.00           H  
HETATM   89  H   UNL     1       7.648   1.702   0.750  1.00  0.00           H  
HETATM   90  H   UNL     1       5.773  -2.545  -0.902  1.00  0.00           H  
HETATM   91  H   UNL     1       8.733   0.530  -1.122  1.00  0.00           H  
HETATM   92  H   UNL     1       7.593  -1.480  -3.033  1.00  0.00           H  
CONECT    1    2    5   47                                            
CONECT    2    4   45    1                                            
CONECT    3    6    5   48   49                                       
CONECT    4    6    2   50   51                                       
CONECT    5    3    1   13   52                                       
CONECT    6    4    3   53   54                                       
CONECT    7   24   24   28    8                                       
CONECT    8    7    9   10   55                                       
CONECT    9    8   56   57   58                                       
CONECT   10    8   11   26   59                                       
CONECT   11   10   12   60   61                                       
CONECT   12   11   22   62   63                                       
CONECT   13    5   27   25   25                                       
CONECT   14   27   15   64   65                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   66                                       
CONECT   17   16   21   18   18                                       
CONECT   18   17   17   19   67                                       
CONECT   19   20   20   18   68                                       
CONECT   20   15   19   19   69                                       
CONECT   21   17   22   22   70                                       
CONECT   22   21   21   12   71                                       
CONECT   23   26   72   73   74                                       
CONECT   24    7    7                                                 
CONECT   25   13   13                                                 
CONECT   26   10   23                                                 
CONECT   27   13   14                                                 
CONECT   28   29    7   75                                            
CONECT   29   32   30   28   76                                       
CONECT   30   35   29   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   33   34   29   77                                       
CONECT   33   32   78   79   80                                       
CONECT   34   32   81   82   83                                       
CONECT   35   36   30   84                                            
CONECT   36   45   37   35   85                                       
CONECT   37   36   38   86   87                                       
CONECT   38   37   39   39   41                                       
CONECT   39   38   38   40   88                                       
CONECT   40   39   43   43   89                                       
CONECT   41   38   42   42   90                                       
CONECT   42   41   41   43   44                                       
CONECT   43   40   40   42   91                                       
CONECT   44   42   92                                                 
CONECT   45   46   46    2   36                                       
CONECT   46   45   45                                                 
CONECT   47    1                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   16                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
CONECT   87   37                                                      
CONECT   88   39                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
