COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.669  -0.530  -0.959  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.785   0.438  -0.169  1.00  0.00           C  
HETATM    3  N   UNL     1      -7.382   0.040  -0.306  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.373   0.824  -0.740  1.00  0.00           C  
HETATM    5  N   UNL     1      -6.849  -1.220  -0.004  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.565  -1.192  -0.254  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.239   0.086  -0.720  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.866   0.559  -1.124  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.186   1.114   0.033  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.943   1.584  -0.159  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.440   1.532  -1.256  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.174   2.175   0.995  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.691   3.580   0.623  1.00  0.00           C  
HETATM   14  C   UNL     1       0.205   4.119   1.742  1.00  0.00           C  
HETATM   15  C   UNL     1       1.428   3.213   1.900  1.00  0.00           C  
HETATM   16  C   UNL     1       0.968   1.804   2.286  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.006   1.335   1.290  1.00  0.00           N  
HETATM   18  C   UNL     1       0.170   0.157   0.660  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.605  -0.189  -0.206  1.00  0.00           O  
HETATM   20  C   UNL     1       1.329  -0.731   1.032  1.00  0.00           C  
HETATM   21  C   UNL     1       0.989  -2.184   0.693  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.177  -2.652   1.566  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.517  -4.104   1.227  1.00  0.00           C  
HETATM   24  C   UNL     1       0.704  -4.989   1.489  1.00  0.00           C  
HETATM   25  C   UNL     1       1.869  -4.521   0.615  1.00  0.00           C  
HETATM   26  C   UNL     1       2.210  -3.068   0.955  1.00  0.00           C  
HETATM   27  C   UNL     1       2.553  -0.309   0.261  1.00  0.00           C  
HETATM   28  C   UNL     1       3.686   0.105   0.937  1.00  0.00           C  
HETATM   29  C   UNL     1       2.542  -0.341  -1.121  1.00  0.00           C  
HETATM   30  C   UNL     1       3.666   0.047  -1.835  1.00  0.00           C  
HETATM   31  O   UNL     1       3.654   0.015  -3.194  1.00  0.00           O  
HETATM   32  C   UNL     1       2.450  -0.429  -3.822  1.00  0.00           C  
HETATM   33  C   UNL     1       4.805   0.468  -1.159  1.00  0.00           C  
HETATM   34  O   UNL     1       5.910   0.850  -1.855  1.00  0.00           O  
HETATM   35  C   UNL     1       6.863  -0.168  -2.168  1.00  0.00           C  
HETATM   36  C   UNL     1       4.814   0.494   0.231  1.00  0.00           C  
HETATM   37  O   UNL     1       5.925   0.907   0.897  1.00  0.00           O  
HETATM   38  C   UNL     1       5.863   0.907   2.325  1.00  0.00           C  
HETATM   39  H   UNL     1      -9.385  -0.504  -2.011  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.538  -1.540  -0.571  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.713  -0.234  -0.856  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.916   1.448  -0.556  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.068   0.413   0.883  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.456   1.856  -1.049  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.876  -2.012  -0.121  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.292  -0.282  -1.514  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.958   1.325  -1.894  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.819   2.230   1.872  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.124   3.536  -0.307  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.550   4.239   0.495  1.00  0.00           H  
HETATM   51  H   UNL     1       0.530   5.129   1.491  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.355   4.140   2.677  1.00  0.00           H  
HETATM   53  H   UNL     1       1.974   3.172   0.958  1.00  0.00           H  
HETATM   54  H   UNL     1       2.076   3.611   2.680  1.00  0.00           H  
HETATM   55  H   UNL     1       1.825   1.132   2.303  1.00  0.00           H  
HETATM   56  H   UNL     1       0.500   1.829   3.270  1.00  0.00           H  
HETATM   57  H   UNL     1       1.526  -0.644   2.101  1.00  0.00           H  
HETATM   58  H   UNL     1       0.707  -2.255  -0.358  1.00  0.00           H  
HETATM   59  H   UNL     1       0.105  -2.580   2.617  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.046  -2.022   1.380  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.347  -4.438   1.850  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.799  -4.176   0.177  1.00  0.00           H  
HETATM   63  H   UNL     1       0.985  -4.918   2.539  1.00  0.00           H  
HETATM   64  H   UNL     1       0.461  -6.024   1.247  1.00  0.00           H  
HETATM   65  H   UNL     1       2.739  -5.151   0.802  1.00  0.00           H  
HETATM   66  H   UNL     1       1.587  -4.592  -0.435  1.00  0.00           H  
HETATM   67  H   UNL     1       3.040  -2.735   0.332  1.00  0.00           H  
HETATM   68  H   UNL     1       2.491  -2.997   2.005  1.00  0.00           H  
HETATM   69  H   UNL     1       3.692   0.125   2.017  1.00  0.00           H  
HETATM   70  H   UNL     1       1.657  -0.670  -1.646  1.00  0.00           H  
HETATM   71  H   UNL     1       2.228  -1.448  -3.503  1.00  0.00           H  
HETATM   72  H   UNL     1       1.628   0.228  -3.537  1.00  0.00           H  
HETATM   73  H   UNL     1       2.574  -0.407  -4.905  1.00  0.00           H  
HETATM   74  H   UNL     1       7.237  -0.611  -1.245  1.00  0.00           H  
HETATM   75  H   UNL     1       6.386  -0.938  -2.774  1.00  0.00           H  
HETATM   76  H   UNL     1       7.693   0.270  -2.723  1.00  0.00           H  
HETATM   77  H   UNL     1       6.813   1.257   2.729  1.00  0.00           H  
HETATM   78  H   UNL     1       5.062   1.570   2.653  1.00  0.00           H  
HETATM   79  H   UNL     1       5.667  -0.104   2.680  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    1    3   42   43                                       
CONECT    3    5    2    4                                            
CONECT    4    3    7    7   44                                       
CONECT    5    3    6    6                                            
CONECT    6    5    5    7   45                                       
CONECT    7    6    4    4    8                                       
CONECT    8    7    9   46   47                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   17   13   48                                       
CONECT   13   12   14   49   50                                       
CONECT   14   15   13   51   52                                       
CONECT   15   16   14   53   54                                       
CONECT   16   17   15   55   56                                       
CONECT   17   16   18   12                                            
CONECT   18   20   19   19   17                                       
CONECT   19   18   18                                                 
CONECT   20   27   21   18   57                                       
CONECT   21   26   20   22   58                                       
CONECT   22   21   23   59   60                                       
CONECT   23   24   22   61   62                                       
CONECT   24   25   23   63   64                                       
CONECT   25   26   24   65   66                                       
CONECT   26   25   21   67   68                                       
CONECT   27   28   28   29   20                                       
CONECT   28   36   27   27   69                                       
CONECT   29   30   30   27   70                                       
CONECT   30   33   31   29   29                                       
CONECT   31   30   32                                                 
CONECT   32   31   71   72   73                                       
CONECT   33   34   36   36   30                                       
CONECT   34   35   33                                                 
CONECT   35   34   74   75   76                                       
CONECT   36   37   33   33   28                                       
CONECT   37   38   36                                                 
CONECT   38   37   77   78   79                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   35                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
