COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.011   3.151  -0.293  1.00  0.00           C  
HETATM    2  C   UNL     1       2.549   3.539  -0.523  1.00  0.00           C  
HETATM    3  C   UNL     1       1.668   2.293  -0.421  1.00  0.00           C  
HETATM    4  C   UNL     1       1.767   1.704   0.991  1.00  0.00           C  
HETATM    5  O   UNL     1       2.096   1.321  -1.378  1.00  0.00           O  
HETATM    6  C   UNL     1       0.212   2.669  -0.684  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.161   3.845   0.182  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.614   3.662   1.287  1.00  0.00           O  
HETATM    9  O   UNL     1       0.010   5.095  -0.275  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.371   6.179   0.613  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.701   1.512  -0.370  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.991   1.553  -0.897  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.891   0.529  -0.643  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.263   0.571  -1.194  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.549   1.358  -2.075  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.281  -0.359  -0.661  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.630  -0.164  -0.934  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.573  -1.044  -0.427  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.187  -2.116   0.350  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.840  -2.330   0.637  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.465  -3.385   1.402  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.879  -1.451   0.133  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.447  -1.655   0.426  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.058  -2.710   0.887  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.493  -0.563   0.152  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.201  -0.596   0.672  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.808  -1.643   1.438  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.306   0.447   0.405  1.00  0.00           C  
HETATM   29  C   UNL     1       1.077   0.342   0.994  1.00  0.00           C  
HETATM   30  O   UNL     1       1.849  -0.579   0.220  1.00  0.00           O  
HETATM   31  C   UNL     1       2.443  -1.628   0.987  1.00  0.00           C  
HETATM   32  C   UNL     1       3.017  -2.689   0.044  1.00  0.00           C  
HETATM   33  O   UNL     1       3.493  -1.092   1.794  1.00  0.00           O  
HETATM   34  C   UNL     1       4.530  -0.447   1.051  1.00  0.00           C  
HETATM   35  C   UNL     1       5.579   0.109   2.015  1.00  0.00           C  
HETATM   36  C   UNL     1       5.187  -1.461   0.110  1.00  0.00           C  
HETATM   37  O   UNL     1       5.791  -2.503   0.878  1.00  0.00           O  
HETATM   38  C   UNL     1       4.119  -2.057  -0.812  1.00  0.00           C  
HETATM   39  N   UNL     1       4.727  -3.086  -1.667  1.00  0.00           N  
HETATM   40  C   UNL     1       3.729  -3.680  -2.566  1.00  0.00           C  
HETATM   41  C   UNL     1       5.859  -2.537  -2.426  1.00  0.00           C  
HETATM   42  H   UNL     1       4.649   4.017  -0.466  1.00  0.00           H  
HETATM   43  H   UNL     1       4.138   2.805   0.733  1.00  0.00           H  
HETATM   44  H   UNL     1       4.288   2.352  -0.982  1.00  0.00           H  
HETATM   45  H   UNL     1       2.243   4.263   0.232  1.00  0.00           H  
HETATM   46  H   UNL     1       2.442   3.980  -1.514  1.00  0.00           H  
HETATM   47  H   UNL     1       2.815   1.585   1.267  1.00  0.00           H  
HETATM   48  H   UNL     1       1.274   2.368   1.701  1.00  0.00           H  
HETATM   49  H   UNL     1       2.986   0.979  -1.221  1.00  0.00           H  
HETATM   50  H   UNL     1       0.096   2.944  -1.732  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.431   6.097   0.853  1.00  0.00           H  
HETATM   52  H   UNL     1       0.214   6.120   1.531  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.182   7.134   0.123  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.292   2.390  -1.509  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.942   0.672  -1.542  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.620  -0.888  -0.641  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.932  -2.794   0.739  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.281  -4.190   0.898  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.352  -2.341   0.947  1.00  0.00           H  
HETATM   60  H   UNL     1       1.005  -0.022   2.019  1.00  0.00           H  
HETATM   61  H   UNL     1       1.687  -2.082   1.628  1.00  0.00           H  
HETATM   62  H   UNL     1       3.434  -3.509   0.629  1.00  0.00           H  
HETATM   63  H   UNL     1       2.225  -3.068  -0.602  1.00  0.00           H  
HETATM   64  H   UNL     1       4.104   0.368   0.467  1.00  0.00           H  
HETATM   65  H   UNL     1       6.033  -0.711   2.571  1.00  0.00           H  
HETATM   66  H   UNL     1       6.348   0.636   1.450  1.00  0.00           H  
HETATM   67  H   UNL     1       5.103   0.800   2.711  1.00  0.00           H  
HETATM   68  H   UNL     1       5.948  -0.961  -0.489  1.00  0.00           H  
HETATM   69  H   UNL     1       6.475  -2.196   1.489  1.00  0.00           H  
HETATM   70  H   UNL     1       3.692  -1.270  -1.433  1.00  0.00           H  
HETATM   71  H   UNL     1       3.304  -2.904  -3.201  1.00  0.00           H  
HETATM   72  H   UNL     1       4.205  -4.438  -3.187  1.00  0.00           H  
HETATM   73  H   UNL     1       2.937  -4.140  -1.975  1.00  0.00           H  
HETATM   74  H   UNL     1       6.615  -2.166  -1.734  1.00  0.00           H  
HETATM   75  H   UNL     1       6.290  -3.319  -3.051  1.00  0.00           H  
HETATM   76  H   UNL     1       5.511  -1.719  -3.057  1.00  0.00           H  
CONECT    1    2   42   43   44                                       
CONECT    2    3    1   45   46                                       
CONECT    3    6    5    4    2                                       
CONECT    4   29    3   47   48                                       
CONECT    5    3   49                                                 
CONECT    6   11    7    3   50                                       
CONECT    7    9    6    8    8                                       
CONECT    8    7    7                                                 
CONECT    9    7   10                                                 
CONECT   10    9   51   52   53                                       
CONECT   11   12   12   28    6                                       
CONECT   12   13   11   11   54                                       
CONECT   13   14   25   25   12                                       
CONECT   14   16   15   15   13                                       
CONECT   15   14   14                                                 
CONECT   16   17   17   22   14                                       
CONECT   17   18   16   16   55                                       
CONECT   18   19   19   17   56                                       
CONECT   19   18   18   20   57                                       
CONECT   20   19   21   22   22                                       
CONECT   21   20   58                                                 
CONECT   22   20   20   16   23                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   13   13   26                                       
CONECT   26   25   27   28   28                                       
CONECT   27   26   59                                                 
CONECT   28   26   26   11   29                                       
CONECT   29   28   30    4   60                                       
CONECT   30   29   31                                                 
CONECT   31   30   32   33   61                                       
CONECT   32   38   31   62   63                                       
CONECT   33   34   31                                                 
CONECT   34   36   35   33   64                                       
CONECT   35   34   65   66   67                                       
CONECT   36   38   34   37   68                                       
CONECT   37   36   69                                                 
CONECT   38   39   36   32   70                                       
CONECT   39   41   38   40                                            
CONECT   40   39   71   72   73                                       
CONECT   41   39   74   75   76                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   27                                                      
CONECT   60   29                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   38                                                      
CONECT   71   40                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
CONECT   74   41                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
