COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.426  -1.153   0.173  1.00  0.00           N  
HETATM    2  N   UNL     1      -2.476  -0.014  -0.480  1.00  0.00           N  
HETATM    3  C   UNL     1       5.891   2.454   1.609  1.00  0.00           C  
HETATM    4  C   UNL     1       4.679   0.164   0.307  1.00  0.00           C  
HETATM    5  C   UNL     1       3.137  -1.648   0.412  1.00  0.00           C  
HETATM    6  C   UNL     1       2.040  -1.180  -0.343  1.00  0.00           C  
HETATM    7  C   UNL     1       0.598  -2.599   0.858  1.00  0.00           C  
HETATM    8  C   UNL     1       2.927  -2.595   1.377  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.975  -2.338  -1.640  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.484  -4.003  -3.597  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.461   0.600   0.413  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.948   2.892  -0.439  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.426   3.376   0.933  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.160   4.873   0.659  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.003  -1.628   1.358  1.00  0.00           C  
HETATM   16  C   UNL     1       5.072   2.848  -0.718  1.00  0.00           C  
HETATM   17  C   UNL     1       6.085   2.085   0.137  1.00  0.00           C  
HETATM   18  C   UNL     1       7.504   2.456  -0.299  1.00  0.00           C  
HETATM   19  O   UNL     1       5.885   0.657  -0.034  1.00  0.00           O  
HETATM   20  O   UNL     1       3.818   0.906   0.736  1.00  0.00           O  
HETATM   21  N   UNL     1       0.805  -1.662  -0.105  1.00  0.00           N  
HETATM   22  C   UNL     1       1.627  -3.074   1.596  1.00  0.00           C  
HETATM   23  O   UNL     1       2.211  -0.338  -1.210  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.328  -1.170  -0.893  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.342  -0.539   0.026  1.00  0.00           C  
HETATM   26  C   UNL     1       0.015  -2.900  -2.662  1.00  0.00           C  
HETATM   27  C   UNL     1       0.491  -4.341  -2.467  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.138  -0.503   1.221  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.582  -0.401   0.701  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.049   1.845  -0.254  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.055   5.233  -0.447  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.507   4.139  -1.088  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.255   4.153  -2.042  1.00  0.00           O  
HETATM   34  O   UNL     1      -5.216  -0.772  -0.525  1.00  0.00           O  
HETATM   35  N   UNL     1      -3.443  -1.536   2.581  1.00  0.00           N  
HETATM   36  C   UNL     1      -2.880  -2.728   3.220  1.00  0.00           C  
HETATM   37  O   UNL     1      -4.042  -2.697   0.787  1.00  0.00           O  
HETATM   38  H   UNL     1       5.136  -1.758  -0.094  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.638  -0.043  -1.436  1.00  0.00           H  
HETATM   40  H   UNL     1       4.880   2.190   1.920  1.00  0.00           H  
HETATM   41  H   UNL     1       6.613   1.910   2.219  1.00  0.00           H  
HETATM   42  H   UNL     1       6.042   3.526   1.738  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.400  -2.973   1.032  1.00  0.00           H  
HETATM   44  H   UNL     1       3.753  -2.971   1.963  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.245  -3.119  -0.929  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.870  -1.989  -2.155  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.518  -4.329  -3.484  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.097  -4.014  -4.616  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.978   0.883   1.348  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.132   2.485  -1.036  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.184   3.250   1.706  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.506   2.859   1.205  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.394   5.466   1.543  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.120   5.024   0.369  1.00  0.00           H  
HETATM   55  H   UNL     1       5.223   3.920  -0.590  1.00  0.00           H  
HETATM   56  H   UNL     1       5.211   2.585  -1.767  1.00  0.00           H  
HETATM   57  H   UNL     1       4.062   2.583  -0.407  1.00  0.00           H  
HETATM   58  H   UNL     1       8.226   1.912   0.311  1.00  0.00           H  
HETATM   59  H   UNL     1       7.642   2.193  -1.347  1.00  0.00           H  
HETATM   60  H   UNL     1       7.655   3.528  -0.170  1.00  0.00           H  
HETATM   61  H   UNL     1       1.448  -3.821   2.354  1.00  0.00           H  
HETATM   62  H   UNL     1       0.023  -0.429  -1.611  1.00  0.00           H  
HETATM   63  H   UNL     1       0.731  -2.184  -3.066  1.00  0.00           H  
HETATM   64  H   UNL     1       0.098  -4.889  -1.611  1.00  0.00           H  
HETATM   65  H   UNL     1       1.519  -4.574  -2.743  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.315   0.056   1.365  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.461   1.576  -1.227  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.839   2.256   0.374  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.289   6.144  -0.687  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.621  -1.186  -1.166  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.412  -0.681   3.037  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.085  -3.134   2.595  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.475  -2.461   4.196  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.663  -3.477   3.344  1.00  0.00           H  
CONECT    1    4    5   38                                            
CONECT    2   25   11   39                                            
CONECT    3   17   40   41   42                                       
CONECT    4   19   20   20    1                                       
CONECT    5    1    8    8    6                                       
CONECT    6    5   23   23   21                                       
CONECT    7   22   22   21   43                                       
CONECT    8    5    5   22   44                                       
CONECT    9   24   26   45   46                                       
CONECT   10   26   27   47   48                                       
CONECT   11   30    2   29   49                                       
CONECT   12   32   13   30   50                                       
CONECT   13   14   12   51   52                                       
CONECT   14   31   13   53   54                                       
CONECT   15   29   37   37   35                                       
CONECT   16   17   55   56   57                                       
CONECT   17    3   18   16   19                                       
CONECT   18   17   58   59   60                                       
CONECT   19   17    4                                                 
CONECT   20    4    4                                                 
CONECT   21    6    7   24                                            
CONECT   22    8    7    7   61                                       
CONECT   23    6    6                                                 
CONECT   24   21   25    9   62                                       
CONECT   25   24   28   28    2                                       
CONECT   26   10    9   27   63                                       
CONECT   27   26   10   64   65                                       
CONECT   28   25   25                                                 
CONECT   29   11   34   15   66                                       
CONECT   30   12   11   67   68                                       
CONECT   31   14   32   69                                            
CONECT   32   31   33   33   12                                       
CONECT   33   32   32                                                 
CONECT   34   29   70                                                 
CONECT   35   15   36   71                                            
CONECT   36   35   72   73   74                                       
CONECT   37   15   15                                                 
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   22                                                      
CONECT   62   24                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
