COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.229   3.180  -0.196  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.694   1.877  -0.373  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.729   1.412   0.407  1.00  0.00           C  
HETATM    4  C   UNL     1       0.886   3.693  -1.027  1.00  0.00           C  
HETATM    5  C   UNL     1       0.785   4.918  -1.688  1.00  0.00           C  
HETATM    6  C   UNL     1       1.846   5.365  -2.453  1.00  0.00           C  
HETATM    7  C   UNL     1       2.083   2.963  -1.168  1.00  0.00           C  
HETATM    8  C   UNL     1       3.113   3.497  -1.963  1.00  0.00           C  
HETATM    9  C   UNL     1       3.736   1.550  -1.112  1.00  0.00           C  
HETATM   10  C   UNL     1       4.157  -0.697   0.016  1.00  0.00           C  
HETATM   11  C   UNL     1       5.197  -2.839   0.787  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.918  -1.213   0.167  1.00  0.00           C  
HETATM   13  N   UNL     1      -6.533  -1.683  -1.073  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.801  -2.754  -0.988  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.911  -4.427  -2.588  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.226  -5.166  -0.596  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.366  -3.975  -2.474  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.863   3.517   1.544  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.316   2.227   1.369  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.430   1.641   2.196  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.823   3.995   0.762  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.316   0.861   1.328  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.021  -0.424   1.045  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.021  -0.934   1.508  1.00  0.00           O  
HETATM   25  N   UNL     1       2.954   4.660  -2.574  1.00  0.00           N  
HETATM   26  N   UNL     1       4.142   2.579  -1.919  1.00  0.00           N  
HETATM   27  N   UNL     1       2.516   1.777  -0.685  1.00  0.00           N  
HETATM   28  C   UNL     1       4.539   0.351  -0.792  1.00  0.00           C  
HETATM   29  C   UNL     1       5.841   0.068  -1.257  1.00  0.00           C  
HETATM   30  N   UNL     1       6.210  -1.079  -0.756  1.00  0.00           N  
HETATM   31  N   UNL     1       5.176  -1.575   0.047  1.00  0.00           N  
HETATM   32  C   UNL     1       2.840  -0.834   0.737  1.00  0.00           C  
HETATM   33  O   UNL     1      -6.046  -0.785  -0.418  1.00  0.00           O  
HETATM   34  N   UNL     1      -4.757  -2.471  -0.194  1.00  0.00           N  
HETATM   35  C   UNL     1      -6.075  -4.076  -1.659  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.462   4.455   2.560  1.00  0.00           C  
HETATM   37  C   UNL     1       6.358  -2.828   1.787  1.00  0.00           C  
HETATM   38  C   UNL     1       6.420  -4.181   2.500  1.00  0.00           C  
HETATM   39  O   UNL     1       6.569  -5.222   1.532  1.00  0.00           O  
HETATM   40  C   UNL     1       5.490  -5.311   0.600  1.00  0.00           C  
HETATM   41  C   UNL     1       5.388  -4.003  -0.190  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.236   2.747   2.873  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.261   3.678   3.604  1.00  0.00           C  
HETATM   44  H   UNL     1      -0.245   1.236  -1.118  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.089   0.403   0.270  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.113   5.510  -1.603  1.00  0.00           H  
HETATM   47  H   UNL     1       1.765   6.313  -2.964  1.00  0.00           H  
HETATM   48  H   UNL     1       4.256  -2.963   1.323  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.991  -4.498  -2.008  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.110  -5.382  -3.074  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.804  -3.650  -3.345  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.054  -4.916   0.066  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.424  -6.121  -1.081  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.306  -5.237  -0.016  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.259  -3.199  -3.231  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.564  -4.931  -2.959  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.195  -3.725  -1.811  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.007   0.987   2.958  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.466   5.005   0.903  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.115   1.268   0.958  1.00  0.00           H  
HETATM   61  H   UNL     1       5.001   2.657  -2.362  1.00  0.00           H  
HETATM   62  H   UNL     1       6.430   0.692  -1.913  1.00  0.00           H  
HETATM   63  H   UNL     1       2.126  -1.350   0.096  1.00  0.00           H  
HETATM   64  H   UNL     1       2.986  -1.406   1.653  1.00  0.00           H  
HETATM   65  H   UNL     1       2.457   0.157   0.984  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.663   5.006   3.055  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.123   5.159   2.053  1.00  0.00           H  
HETATM   68  H   UNL     1       7.294  -2.653   1.256  1.00  0.00           H  
HETATM   69  H   UNL     1       6.201  -2.036   2.519  1.00  0.00           H  
HETATM   70  H   UNL     1       7.271  -4.194   3.181  1.00  0.00           H  
HETATM   71  H   UNL     1       5.501  -4.338   3.063  1.00  0.00           H  
HETATM   72  H   UNL     1       5.670  -6.137  -0.088  1.00  0.00           H  
HETATM   73  H   UNL     1       4.558  -5.482   1.138  1.00  0.00           H  
HETATM   74  H   UNL     1       4.537  -4.053  -0.870  1.00  0.00           H  
HETATM   75  H   UNL     1       6.304  -3.850  -0.761  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.788   3.312   2.122  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.932   2.309   3.589  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.582   3.088   4.220  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.817   4.373   4.232  1.00  0.00           H  
CONECT    1    4   21   21    2                                       
CONECT    2    1    3    3   44                                       
CONECT    3    2    2   19   45                                       
CONECT    4    7    7    5    1                                       
CONECT    5    6    6    4   46                                       
CONECT    6   25    5    5   47                                       
CONECT    7   27    8    4    4                                       
CONECT    8   26   25   25    7                                       
CONECT    9   28   26   27   27                                       
CONECT   10   31   28   28   32                                       
CONECT   11   37   41   31   48                                       
CONECT   12   23   34   34   33                                       
CONECT   13   33   14   14                                            
CONECT   14   34   13   13   35                                       
CONECT   15   35   49   50   51                                       
CONECT   16   35   52   53   54                                       
CONECT   17   35   55   56   57                                       
CONECT   18   21   36   19   19                                       
CONECT   19   18   18    3   20                                       
CONECT   20   42   19   22   58                                       
CONECT   21    1    1   18   59                                       
CONECT   22   20   23   60                                            
CONECT   23   22   24   24   12                                       
CONECT   24   23   23                                                 
CONECT   25    8    8    6                                            
CONECT   26    9    8   61                                            
CONECT   27    9    9    7                                            
CONECT   28   29   10   10    9                                       
CONECT   29   30   30   28   62                                       
CONECT   30   31   29   29                                            
CONECT   31   30   11   10                                            
CONECT   32   10   63   64   65                                       
CONECT   33   12   13                                                 
CONECT   34   12   12   14                                            
CONECT   35   17   14   16   15                                       
CONECT   36   18   43   66   67                                       
CONECT   37   38   11   68   69                                       
CONECT   38   39   37   70   71                                       
CONECT   39   38   40                                                 
CONECT   40   39   41   72   73                                       
CONECT   41   40   11   74   75                                       
CONECT   42   43   20   76   77                                       
CONECT   43   36   42   78   79                                       
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48   11                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   26                                                      
CONECT   62   29                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
CONECT   70   38                                                      
CONECT   71   38                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
CONECT   74   41                                                      
CONECT   75   41                                                      
CONECT   76   42                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
