COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.887  -0.065   0.172  1.00  0.00           C  
HETATM    2  C   UNL     1       9.293  -0.074  -1.041  1.00  0.00           C  
HETATM    3  C   UNL     1      10.738  -0.032  -1.542  1.00  0.00           C  
HETATM    4  C   UNL     1       9.212   1.707   1.317  1.00  0.00           C  
HETATM    5  C   UNL     1       7.050   2.346  -0.105  1.00  0.00           C  
HETATM    6  C   UNL     1       4.823   0.403   1.508  1.00  0.00           C  
HETATM    7  C   UNL     1       3.484   0.212   1.779  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.141  -2.483  -1.605  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.350  -1.319  -1.579  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.417  -2.956  -0.175  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.841  -1.944   0.817  1.00  0.00           C  
HETATM   12  C   UNL     1       1.301  -0.882   1.287  1.00  0.00           C  
HETATM   13  C   UNL     1       2.736  -0.673   1.002  1.00  0.00           C  
HETATM   14  C   UNL     1       3.349  -1.361  -0.047  1.00  0.00           C  
HETATM   15  C   UNL     1       4.689  -1.161  -0.308  1.00  0.00           C  
HETATM   16  C   UNL     1       5.424  -0.278   0.463  1.00  0.00           C  
HETATM   17  C   UNL     1       8.457   1.199  -1.189  1.00  0.00           C  
HETATM   18  C   UNL     1       9.679  -0.817  -2.321  1.00  0.00           C  
HETATM   19  C   UNL     1       8.563   2.149   0.006  1.00  0.00           C  
HETATM   20  C   UNL     1       9.601   3.182   1.520  1.00  0.00           C  
HETATM   21  C   UNL     1       9.521   3.339  -0.010  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.851  -1.147  -1.838  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.928  -3.076   0.035  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.911  -1.812   0.110  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.752  -2.984   0.850  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.051  -0.767   0.300  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.338   1.612  -0.298  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.438   2.642  -0.338  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.689   3.428   0.771  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.698   4.373   0.734  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.455   4.531  -0.411  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.204   3.745  -1.520  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.191   2.804  -1.485  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.702  -0.675  -0.029  1.00  0.00           C  
HETATM   35  N   UNL     1       0.581  -1.738   0.535  1.00  0.00           N  
HETATM   36  N   UNL     1       7.039   1.033  -0.793  1.00  0.00           N  
HETATM   37  N   UNL     1      -3.561  -1.772  -0.198  1.00  0.00           N  
HETATM   38  N   UNL     1      -5.470  -2.938   0.550  1.00  0.00           N  
HETATM   39  N   UNL     1      -7.534  -1.930   0.732  1.00  0.00           N  
HETATM   40  N   UNL     1      -7.880   0.337   0.179  1.00  0.00           N  
HETATM   41  O   UNL     1      -0.803  -4.230   0.032  1.00  0.00           O  
HETATM   42  O   UNL     1       0.769  -0.281   2.201  1.00  0.00           O  
HETATM   43  H   UNL     1       7.408   0.188   1.095  1.00  0.00           H  
HETATM   44  H   UNL     1       7.311  -0.978  -0.247  1.00  0.00           H  
HETATM   45  H   UNL     1       9.085  -0.673  -0.155  1.00  0.00           H  
HETATM   46  H   UNL     1      11.093   0.902  -1.977  1.00  0.00           H  
HETATM   47  H   UNL     1      11.480  -0.604  -0.986  1.00  0.00           H  
HETATM   48  H   UNL     1       8.499   1.336   2.054  1.00  0.00           H  
HETATM   49  H   UNL     1      10.066   1.044   1.180  1.00  0.00           H  
HETATM   50  H   UNL     1       6.534   2.344   0.855  1.00  0.00           H  
HETATM   51  H   UNL     1       6.760   3.181  -0.743  1.00  0.00           H  
HETATM   52  H   UNL     1       5.403   1.088   2.108  1.00  0.00           H  
HETATM   53  H   UNL     1       3.016   0.747   2.592  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.068  -2.355  -1.746  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.516  -3.224  -2.312  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.856  -0.365  -1.730  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.755  -2.058  -2.270  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.372  -0.997   0.720  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.959  -2.324   1.832  1.00  0.00           H  
HETATM   60  H   UNL     1       2.776  -2.048  -0.652  1.00  0.00           H  
HETATM   61  H   UNL     1       5.164  -1.690  -1.121  1.00  0.00           H  
HETATM   62  H   UNL     1       8.590   1.686  -2.154  1.00  0.00           H  
HETATM   63  H   UNL     1       9.726  -1.906  -2.277  1.00  0.00           H  
HETATM   64  H   UNL     1       9.339  -0.400  -3.269  1.00  0.00           H  
HETATM   65  H   UNL     1       8.850   3.761   2.057  1.00  0.00           H  
HETATM   66  H   UNL     1      10.606   3.317   1.920  1.00  0.00           H  
HETATM   67  H   UNL     1      10.463   3.136  -0.520  1.00  0.00           H  
HETATM   68  H   UNL     1       9.056   4.271  -0.330  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.448  -0.397  -1.157  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.694  -0.826  -2.868  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.335  -3.807  -0.663  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.128  -3.399   1.057  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.175  -3.913   1.204  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.927   1.480  -1.299  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.551   1.947   0.377  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.097   3.305   1.666  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.894   4.987   1.601  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.244   5.268  -0.439  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.793   3.871  -2.416  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.995   2.190  -2.352  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.279   0.254  -0.382  1.00  0.00           H  
HETATM   82  H   UNL     1       1.005  -2.217  -0.194  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.820   0.266   0.410  1.00  0.00           H  
HETATM   84  H   UNL     1       0.156  -4.229  -0.088  1.00  0.00           H  
CONECT    1   16   36   43   44                                       
CONECT    2   18    3   17   45                                       
CONECT    3   18    2   46   47                                       
CONECT    4   19   20   48   49                                       
CONECT    5   36   19   50   51                                       
CONECT    6   16    7    7   52                                       
CONECT    7    6    6   13   53                                       
CONECT    8   22   10   54   55                                       
CONECT    9   37   22   56   57                                       
CONECT   10   23    8   11   41                                       
CONECT   11   35   10   58   59                                       
CONECT   12   13   42   42   35                                       
CONECT   13   14   14    7   12                                       
CONECT   14   15   13   13   60                                       
CONECT   15   16   16   14   61                                       
CONECT   16    1   15   15    6                                       
CONECT   17    2   36   19   62                                       
CONECT   18    3    2   63   64                                       
CONECT   19   17    5    4   21                                       
CONECT   20    4   21   65   66                                       
CONECT   21   19   20   67   68                                       
CONECT   22    9    8   69   70                                       
CONECT   23   37   10   71   72                                       
CONECT   24   34   37   38   38                                       
CONECT   25   39   39   38   73                                       
CONECT   26   40   34   34   39                                       
CONECT   27   28   40   74   75                                       
CONECT   28   33   27   29   29                                       
CONECT   29   28   28   30   76                                       
CONECT   30   31   31   29   77                                       
CONECT   31   32   30   30   78                                       
CONECT   32   33   33   31   79                                       
CONECT   33   32   32   28   80                                       
CONECT   34   26   26   24   81                                       
CONECT   35   12   11   82                                            
CONECT   36    1   17    5                                            
CONECT   37    9   23   24                                            
CONECT   38   24   24   25                                            
CONECT   39   26   25   25                                            
CONECT   40   27   26   83                                            
CONECT   41   10   84                                                 
CONECT   42   12   12                                                 
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   25                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
