COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.156  -2.623  -0.304  1.00  0.00           O  
HETATM    2  C   UNL     1       3.205  -1.467   0.066  1.00  0.00           C  
HETATM    3  C   UNL     1       4.515  -0.818   0.290  1.00  0.00           C  
HETATM    4  C   UNL     1       5.696  -1.531   0.079  1.00  0.00           C  
HETATM    5  C   UNL     1       6.914  -0.920   0.290  1.00  0.00           C  
HETATM    6  C   UNL     1       6.968   0.397   0.711  1.00  0.00           C  
HETATM    7  C   UNL     1       8.302   1.058   0.941  1.00  0.00           C  
HETATM    8  N   UNL     1       8.753   1.692  -0.300  1.00  0.00           N  
HETATM    9  N   UNL     1       8.897   1.061  -1.543  1.00  0.00           N  
HETATM   10  C   UNL     1       9.319   1.949  -2.406  1.00  0.00           C  
HETATM   11  C   UNL     1       9.457   3.172  -1.741  1.00  0.00           C  
HETATM   12  C   UNL     1       9.097   2.988  -0.450  1.00  0.00           C  
HETATM   13  C   UNL     1       5.801   1.110   0.922  1.00  0.00           C  
HETATM   14  C   UNL     1       4.576   0.512   0.709  1.00  0.00           C  
HETATM   15  N   UNL     1       2.067  -0.773   0.265  1.00  0.00           N  
HETATM   16  C   UNL     1       0.774  -1.376  -0.068  1.00  0.00           C  
HETATM   17  C   UNL     1       0.234  -2.130   1.149  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.033  -2.708   0.828  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.119  -4.108   1.100  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.956  -4.346   2.603  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.482  -4.634   0.645  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.010  -4.844   0.344  1.00  0.00           C  
HETATM   23  C   UNL     1       0.069  -1.158   2.319  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.199  -0.294  -0.461  1.00  0.00           C  
HETATM   25  O   UNL     1       0.116   0.872  -0.352  1.00  0.00           O  
HETATM   26  N   UNL     1      -1.417  -0.623  -0.933  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.322   0.423  -1.416  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.148   1.011  -0.252  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.511   1.237  -0.755  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.563   0.842  -2.174  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.887   0.196  -2.491  1.00  0.00           C  
HETATM   32  N   UNL     1      -6.301   0.099  -3.770  1.00  0.00           N  
HETATM   33  C   UNL     1      -7.588  -0.530  -4.078  1.00  0.00           C  
HETATM   34  O   UNL     1      -6.580  -0.238  -1.595  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.410  -0.178  -2.345  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.543   1.722  -0.036  1.00  0.00           C  
HETATM   37  O   UNL     1      -6.654   1.775  -0.526  1.00  0.00           O  
HETATM   38  C   UNL     1      -5.323   2.191   1.349  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.355   2.819   2.048  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.143   3.253   3.341  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.912   3.068   3.943  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.885   2.446   3.255  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.085   2.002   1.965  1.00  0.00           C  
HETATM   44  H   UNL     1       2.104   0.125   0.629  1.00  0.00           H  
HETATM   45  H   UNL     1       5.656  -2.559  -0.249  1.00  0.00           H  
HETATM   46  H   UNL     1       3.666   1.071   0.870  1.00  0.00           H  
HETATM   47  H   UNL     1       7.829  -1.471   0.127  1.00  0.00           H  
HETATM   48  H   UNL     1       8.204   1.813   1.720  1.00  0.00           H  
HETATM   49  H   UNL     1       9.030   0.308   1.251  1.00  0.00           H  
HETATM   50  H   UNL     1       5.849   2.137   1.251  1.00  0.00           H  
HETATM   51  H   UNL     1       9.090   3.742   0.323  1.00  0.00           H  
HETATM   52  H   UNL     1       9.526   1.769  -3.450  1.00  0.00           H  
HETATM   53  H   UNL     1       9.788   4.101  -2.182  1.00  0.00           H  
HETATM   54  H   UNL     1       0.900  -2.070  -0.899  1.00  0.00           H  
HETATM   55  H   UNL     1       0.933  -2.919   1.427  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.725  -0.447   2.092  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.188  -1.715   3.220  1.00  0.00           H  
HETATM   58  H   UNL     1       1.003  -0.620   2.479  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.663  -3.720   3.148  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.151  -5.395   2.828  1.00  0.00           H  
HETATM   61  H   UNL     1       0.061  -4.093   2.903  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.598  -4.464  -0.426  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.547  -5.701   0.853  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.271  -4.109   1.183  1.00  0.00           H  
HETATM   65  H   UNL     1       0.960  -4.540   0.736  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.134  -5.919   0.474  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.068  -4.596  -0.716  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.696  -1.552  -0.953  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.764   1.208  -1.928  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.171   0.306   0.579  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.711   1.956   0.072  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.066  -0.210  -3.379  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.711  -1.168  -2.004  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.403   1.710  -2.815  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.747   0.446  -4.486  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.751  -0.516  -5.155  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.582  -1.561  -3.724  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.388   0.020  -3.582  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.317   2.964   1.579  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.283   1.513   1.430  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.941   3.739   3.883  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.751   3.411   4.955  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.926   2.305   3.731  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   15                                       
CONECT    3    2    4   14   14                                       
CONECT    4    3    5    5   45                                       
CONECT    5    4    4    6   47                                       
CONECT    6    5    7   13   13                                       
CONECT    7    6    8   48   49                                       
CONECT    8    7    9   12                                            
CONECT    9    8   10   10                                            
CONECT   10    9    9   11   52                                       
CONECT   11   10   12   12   53                                       
CONECT   12    8   11   11   51                                       
CONECT   13    6    6   14   50                                       
CONECT   14    3    3   13   46                                       
CONECT   15    2   16   44                                            
CONECT   16   15   17   24   54                                       
CONECT   17   16   18   23   55                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   21   22                                       
CONECT   20   19   59   60   61                                       
CONECT   21   19   62   63   64                                       
CONECT   22   19   65   66   67                                       
CONECT   23   17   56   57   58                                       
CONECT   24   16   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   68                                            
CONECT   27   26   28   35   69                                       
CONECT   28   27   29   70   71                                       
CONECT   29   28   30   36                                            
CONECT   30   29   31   35   74                                       
CONECT   31   30   32   34   34                                       
CONECT   32   31   33   75                                            
CONECT   33   32   76   77   78                                       
CONECT   34   31   31                                                 
CONECT   35   27   30   72   73                                       
CONECT   36   29   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   43   43                                       
CONECT   39   38   40   40   79                                       
CONECT   40   39   39   41   81                                       
CONECT   41   40   42   42   82                                       
CONECT   42   41   41   43   83                                       
CONECT   43   38   38   42   80                                       
CONECT   44   15                                                      
CONECT   45    4                                                      
CONECT   46   14                                                      
CONECT   47    5                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50   13                                                      
CONECT   51   12                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   30                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   39                                                      
CONECT   80   43                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   42                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
