COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.070   1.573   1.113  1.00  0.00           C  
HETATM    2  C   UNL     1       3.192   1.210   1.877  1.00  0.00           C  
HETATM    3  C   UNL     1       3.555   1.928   3.029  1.00  0.00           C  
HETATM    4  C   UNL     1       4.648   1.546   3.744  1.00  0.00           C  
HETATM    5  C   UNL     1       5.416   0.452   3.351  1.00  0.00           C  
HETATM    6  C   UNL     1       5.095  -0.268   2.242  1.00  0.00           C  
HETATM    7  C   UNL     1       3.973   0.096   1.478  1.00  0.00           C  
HETATM    8  C   UNL     1       3.609  -0.623   0.327  1.00  0.00           C  
HETATM    9  C   UNL     1       2.516  -0.241  -0.388  1.00  0.00           C  
HETATM   10  C   UNL     1       1.748   0.854   0.004  1.00  0.00           C  
HETATM   11  C   UNL     1       0.544   1.246  -0.812  1.00  0.00           C  
HETATM   12  C   UNL     1       1.002   1.926  -2.104  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.156   2.503  -2.790  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.044   3.248  -2.100  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.006   3.724  -2.664  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.838   3.488  -0.627  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.826   4.551  -0.140  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.569   4.029   1.091  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.288   2.725   0.738  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.499   2.546   1.655  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.330   1.268   2.479  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.059   0.115   1.787  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.769  -1.191   2.530  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.574  -2.321   1.517  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.188  -2.941   1.704  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.939  -3.974   0.604  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.502  -3.971   0.263  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.161  -3.405  -0.928  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.013  -2.933  -1.650  1.00  0.00           O  
HETATM   30  C   UNL     1       0.289  -3.373  -1.335  1.00  0.00           C  
HETATM   31  C   UNL     1       1.133  -2.823  -0.183  1.00  0.00           C  
HETATM   32  C   UNL     1       0.777  -3.561   1.108  1.00  0.00           C  
HETATM   33  C   UNL     1       2.617  -3.028  -0.496  1.00  0.00           C  
HETATM   34  N   UNL     1       0.429  -2.493  -2.518  1.00  0.00           N  
HETATM   35  C   UNL     1       0.511  -1.157  -2.243  1.00  0.00           C  
HETATM   36  O   UNL     1       0.466  -0.758  -1.099  1.00  0.00           O  
HETATM   37  C   UNL     1       0.659  -0.189  -3.389  1.00  0.00           C  
HETATM   38  C   UNL     1       1.672   0.894  -3.013  1.00  0.00           C  
HETATM   39  O   UNL     1       2.774   0.298  -2.326  1.00  0.00           O  
HETATM   40  H   UNL     1       1.463   2.417   1.408  1.00  0.00           H  
HETATM   41  H   UNL     1       2.970   2.779   3.345  1.00  0.00           H  
HETATM   42  H   UNL     1       4.925   2.100   4.629  1.00  0.00           H  
HETATM   43  H   UNL     1       6.279   0.170   3.936  1.00  0.00           H  
HETATM   44  H   UNL     1       5.700  -1.113   1.949  1.00  0.00           H  
HETATM   45  H   UNL     1       4.195  -1.473   0.010  1.00  0.00           H  
HETATM   46  H   UNL     1       2.239  -0.795  -1.273  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.036   0.356  -1.056  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.075   1.936  -0.238  1.00  0.00           H  
HETATM   49  H   UNL     1       1.714   2.717  -1.865  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.285   2.350  -3.740  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.005   2.560  -0.081  1.00  0.00           H  
HETATM   52  H   UNL     1       0.182   3.833  -0.454  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.283   5.459   0.121  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.542   4.770  -0.932  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.857   3.845   1.895  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.300   4.770   1.415  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.621   2.763  -0.300  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.605   1.886   0.870  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.577   3.402   2.325  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.404   2.472   1.052  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.270   1.028   2.565  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.750   1.419   3.474  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.132   0.306   1.795  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.712   0.032   0.757  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.863  -1.077   3.125  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.606  -1.431   3.185  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.337  -3.084   1.673  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.661  -1.922   0.506  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.430  -2.160   1.647  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.136  -3.428   2.678  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.228  -4.963   0.959  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.524  -3.716  -0.279  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.836  -4.352   0.856  1.00  0.00           H  
HETATM   74  H   UNL     1       0.622  -4.381  -1.583  1.00  0.00           H  
HETATM   75  H   UNL     1       0.932  -1.759  -0.061  1.00  0.00           H  
HETATM   76  H   UNL     1       0.429  -4.566   0.868  1.00  0.00           H  
HETATM   77  H   UNL     1       1.659  -3.625   1.746  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.010  -3.019   1.632  1.00  0.00           H  
HETATM   79  H   UNL     1       3.029  -2.113  -0.922  1.00  0.00           H  
HETATM   80  H   UNL     1       3.151  -3.273   0.423  1.00  0.00           H  
HETATM   81  H   UNL     1       2.729  -3.844  -1.210  1.00  0.00           H  
HETATM   82  H   UNL     1       0.461  -2.841  -3.424  1.00  0.00           H  
HETATM   83  H   UNL     1       1.008  -0.723  -4.272  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.305   0.273  -3.601  1.00  0.00           H  
HETATM   85  H   UNL     1       2.031   1.385  -3.918  1.00  0.00           H  
HETATM   86  H   UNL     1       3.247  -0.368  -2.844  1.00  0.00           H  
CONECT    1    2    2   10   40                                       
CONECT    2    3    1    1    7                                       
CONECT    3    4    4    2   41                                       
CONECT    4    3    3    5   42                                       
CONECT    5    4    6    6   43                                       
CONECT    6    5    5    7   44                                       
CONECT    7    2    6    8    8                                       
CONECT    8    7    7    9   45                                       
CONECT    9   10   10    8   46                                       
CONECT   10    1   11    9    9                                       
CONECT   11   12   10   47   48                                       
CONECT   12   13   38   11   49                                       
CONECT   13   14   12   50                                            
CONECT   14   16   13   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   17   14   51   52                                       
CONECT   17   18   16   53   54                                       
CONECT   18   17   19   55   56                                       
CONECT   19   20   18   57   58                                       
CONECT   20   19   21   59   60                                       
CONECT   21   20   22   61   62                                       
CONECT   22   21   23   63   64                                       
CONECT   23   22   24   65   66                                       
CONECT   24   23   25   67   68                                       
CONECT   25   24   26   69   70                                       
CONECT   26   25   27   71   72                                       
CONECT   27   26   28   73                                            
CONECT   28   29   29   27   30                                       
CONECT   29   28   28                                                 
CONECT   30   34   28   31   74                                       
CONECT   31   30   32   33   75                                       
CONECT   32   31   76   77   78                                       
CONECT   33   31   79   80   81                                       
CONECT   34   35   30   82                                            
CONECT   35   37   36   36   34                                       
CONECT   36   35   35                                                 
CONECT   37   38   35   83   84                                       
CONECT   38   39   37   12   85                                       
CONECT   39   38   86                                                 
CONECT   40    1                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
