COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.669  -0.752  -3.077  1.00  0.00           C  
HETATM    2  C   UNL     1       1.515  -0.557  -1.748  1.00  0.00           C  
HETATM    3  N   UNL     1       0.318  -0.030  -1.252  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.424  -0.745  -0.384  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.650  -0.132   0.241  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.106  -1.882  -0.107  1.00  0.00           O  
HETATM    7  C   UNL     1       2.606  -0.899  -0.824  1.00  0.00           C  
HETATM    8  O   UNL     1       3.606  -1.451  -1.241  1.00  0.00           O  
HETATM    9  N   UNL     1       2.498  -0.601   0.485  1.00  0.00           N  
HETATM   10  C   UNL     1       3.630  -0.833   1.385  1.00  0.00           C  
HETATM   11  C   UNL     1       4.852  -0.061   0.884  1.00  0.00           C  
HETATM   12  C   UNL     1       4.435   1.256   0.255  1.00  0.00           C  
HETATM   13  C   UNL     1       3.845   2.246   1.243  1.00  0.00           C  
HETATM   14  C   UNL     1       2.505   1.745   1.784  1.00  0.00           C  
HETATM   15  C   UNL     1       3.284  -0.343   2.776  1.00  0.00           C  
HETATM   16  N   UNL     1       2.761   0.875   2.943  1.00  0.00           N  
HETATM   17  O   UNL     1       3.485  -1.052   3.739  1.00  0.00           O  
HETATM   18  C   UNL     1       2.437   1.347   4.292  1.00  0.00           C  
HETATM   19  C   UNL     1       1.021   0.961   4.633  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.017   1.825   4.337  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.317   1.475   4.642  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.580   0.254   5.259  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.529  -0.609   5.560  1.00  0.00           C  
HETATM   24  C   UNL     1       0.765  -0.251   5.245  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.975  -0.125   5.594  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.407  -1.436   5.409  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.703  -1.785   5.728  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.577  -0.833   6.220  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.156   0.472   6.400  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.860   0.830   6.090  1.00  0.00           C  
HETATM   31  C   UNL     1       0.513  -0.621  -3.979  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.777  -0.498  -3.451  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.863  -0.376  -4.295  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.685  -0.373  -5.665  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.401  -0.494  -6.208  1.00  0.00           C  
HETATM   36  C   UNL     1       0.701  -0.614  -5.361  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.877  -0.239  -6.577  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.132   1.218  -6.860  1.00  0.00           C  
HETATM   39  O   UNL     1      -4.151   1.580  -7.655  1.00  0.00           O  
HETATM   40  O   UNL     1      -2.418   2.062  -6.371  1.00  0.00           O  
HETATM   41  C   UNL     1      -0.214  -0.490  -7.668  1.00  0.00           C  
HETATM   42  O   UNL     1       0.898  -0.595  -8.137  1.00  0.00           O  
HETATM   43  H   UNL     1       2.640  -1.004  -3.477  1.00  0.00           H  
HETATM   44  H   UNL     1       0.022   0.849  -1.533  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.117  -0.855   0.910  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.364   0.754   0.807  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.356   0.148  -0.540  1.00  0.00           H  
HETATM   48  H   UNL     1       1.670  -0.233   0.832  1.00  0.00           H  
HETATM   49  H   UNL     1       3.859  -1.899   1.419  1.00  0.00           H  
HETATM   50  H   UNL     1       5.377  -0.662   0.142  1.00  0.00           H  
HETATM   51  H   UNL     1       5.521   0.137   1.722  1.00  0.00           H  
HETATM   52  H   UNL     1       3.694   1.053  -0.517  1.00  0.00           H  
HETATM   53  H   UNL     1       5.308   1.709  -0.213  1.00  0.00           H  
HETATM   54  H   UNL     1       3.695   3.203   0.743  1.00  0.00           H  
HETATM   55  H   UNL     1       4.539   2.381   2.072  1.00  0.00           H  
HETATM   56  H   UNL     1       1.987   1.179   1.010  1.00  0.00           H  
HETATM   57  H   UNL     1       1.894   2.593   2.091  1.00  0.00           H  
HETATM   58  H   UNL     1       3.120   0.892   5.010  1.00  0.00           H  
HETATM   59  H   UNL     1       2.538   2.431   4.332  1.00  0.00           H  
HETATM   60  H   UNL     1       0.187   2.771   3.858  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.128   2.148   4.406  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.728  -1.557   6.037  1.00  0.00           H  
HETATM   63  H   UNL     1       1.581  -0.920   5.477  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.725  -2.181   5.025  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.038  -2.803   5.590  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.593  -1.109   6.464  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.843   1.211   6.785  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.532   1.849   6.232  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.924  -0.500  -2.382  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.856  -0.282  -3.882  1.00  0.00           H  
HETATM   71  H   UNL     1       1.695  -0.707  -5.774  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.679  -0.762  -7.513  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.753  -0.674  -6.096  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.315   2.515  -7.836  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.068  -0.394  -8.321  1.00  0.00           H  
CONECT    1    2    2   31   43                                       
CONECT    2    1    1    3    7                                       
CONECT    3    2    4   44                                            
CONECT    4    3    5    6    6                                       
CONECT    5    4   45   46   47                                       
CONECT    6    4    4                                                 
CONECT    7    2    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   48                                            
CONECT   10    9   11   15   49                                       
CONECT   11   10   12   50   51                                       
CONECT   12   11   13   52   53                                       
CONECT   13   12   14   54   55                                       
CONECT   14   13   16   56   57                                       
CONECT   15   10   16   17   17                                       
CONECT   16   14   15   18                                            
CONECT   17   15   15                                                 
CONECT   18   16   19   58   59                                       
CONECT   19   18   20   24   24                                       
CONECT   20   19   21   21   60                                       
CONECT   21   20   20   22   61                                       
CONECT   22   21   23   23   25                                       
CONECT   23   22   22   24   62                                       
CONECT   24   19   19   23   63                                       
CONECT   25   22   26   30   30                                       
CONECT   26   25   27   27   64                                       
CONECT   27   26   26   28   65                                       
CONECT   28   27   29   29   66                                       
CONECT   29   28   28   30   67                                       
CONECT   30   25   25   29   68                                       
CONECT   31    1   32   32   36                                       
CONECT   32   31   31   33   69                                       
CONECT   33   32   34   34   70                                       
CONECT   34   33   33   35   37                                       
CONECT   35   34   36   36   41                                       
CONECT   36   31   35   35   71                                       
CONECT   37   34   38   72   73                                       
CONECT   38   37   39   40   40                                       
CONECT   39   38   74                                                 
CONECT   40   38   38                                                 
CONECT   41   35   42   42   75                                       
CONECT   42   41   41                                                 
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   39                                                      
CONECT   75   41                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
