COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.394  -3.471   1.558  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.701  -3.042   1.484  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.729  -1.910   0.643  1.00  0.00           C  
HETATM    4  C   UNL     1       3.568  -0.276  -1.625  1.00  0.00           C  
HETATM    5  C   UNL     1       2.066  -1.686  -0.781  1.00  0.00           C  
HETATM    6  C   UNL     1       1.548  -2.721   0.030  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.899  -0.351  -1.438  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.266   4.602   2.505  1.00  0.00           C  
HETATM    9  C   UNL     1       1.712   3.102   1.803  1.00  0.00           C  
HETATM   10  C   UNL     1       1.866   2.017   0.941  1.00  0.00           C  
HETATM   11  N   UNL     1       1.602  -0.420  -0.708  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.496   0.229  -1.633  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.959   1.676  -0.843  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.570  -0.474  -0.848  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.346   2.638  -0.049  1.00  0.00           C  
HETATM   16  C   UNL     1       2.875   1.505   0.102  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.676  -0.365  -2.357  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.302   2.855  -3.732  1.00  0.00           C  
HETATM   19  C   UNL     1       2.789   3.750   2.634  1.00  0.00           C  
HETATM   20  C   UNL     1       2.947   2.987   3.951  1.00  0.00           C  
HETATM   21  C   UNL     1       4.722   0.326  -2.384  1.00  0.00           C  
HETATM   22  C   UNL     1       4.209   0.948  -3.684  1.00  0.00           C  
HETATM   23  C   UNL     1       0.377   3.468   1.748  1.00  0.00           C  
HETATM   24  N   UNL     1       0.596   1.562   0.790  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.271   2.588   0.857  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.135   1.560  -1.624  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.539   0.393  -0.769  1.00  0.00           N  
HETATM   28  N   UNL     1      -0.436  -1.502   0.648  1.00  0.00           N  
HETATM   29  C   UNL     1       0.359  -2.597   0.748  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.586  -1.467  -0.124  1.00  0.00           O1+
HETATM   31  C   UNL     1       3.154  -1.594  -1.660  1.00  0.00           C  
HETATM   32  C   UNL     1       2.705   0.391  -0.745  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.860   2.684  -2.318  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.306   5.848   1.619  1.00  0.00           C  
HETATM   35  C   UNL     1       3.751  -2.709  -2.480  1.00  0.00           C  
HETATM   36  C   UNL     1       4.766  -3.478  -1.631  1.00  0.00           C  
HETATM   37  C   UNL     1       0.129  -4.639   2.353  1.00  0.00           C  
HETATM   38  C   UNL     1       0.203  -5.876   1.454  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.885  -3.667   2.175  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.146  -2.941   3.496  1.00  0.00           C  
HETATM   41 CO   UNL     1       0.048   0.077  -0.020  1.00  0.00          Co  
HETATM   42  H   UNL     1       2.097  -3.649   0.097  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.688  -0.938  -0.544  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.127   0.676  -1.152  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.753  -0.781  -1.962  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.281   4.322   2.784  1.00  0.00           H  
HETATM   47  H   UNL     1       0.313   4.813   3.404  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.782   3.622  -0.147  1.00  0.00           H  
HETATM   49  H   UNL     1       3.838   1.996   0.108  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.448  -1.392  -2.643  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.887   0.222  -3.251  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.239   3.087  -3.677  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.444   1.931  -4.293  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.826   3.668  -4.234  1.00  0.00           H  
HETATM   55  H   UNL     1       3.732   3.729   2.087  1.00  0.00           H  
HETATM   56  H   UNL     1       2.514   4.784   2.844  1.00  0.00           H  
HETATM   57  H   UNL     1       3.726   3.456   4.551  1.00  0.00           H  
HETATM   58  H   UNL     1       2.004   3.008   4.497  1.00  0.00           H  
HETATM   59  H   UNL     1       3.222   1.954   3.741  1.00  0.00           H  
HETATM   60  H   UNL     1       5.196   1.096  -1.775  1.00  0.00           H  
HETATM   61  H   UNL     1       5.450  -0.451  -2.616  1.00  0.00           H  
HETATM   62  H   UNL     1       3.481   1.726  -3.452  1.00  0.00           H  
HETATM   63  H   UNL     1       5.044   1.384  -4.233  1.00  0.00           H  
HETATM   64  H   UNL     1       3.736   0.178  -4.293  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.718   3.608  -1.757  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.924   2.452  -2.372  1.00  0.00           H  
HETATM   67  H   UNL     1       0.710   6.128   1.339  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.885   5.637   0.720  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.771   6.668   2.166  1.00  0.00           H  
HETATM   70  H   UNL     1       2.961  -3.386  -2.803  1.00  0.00           H  
HETATM   71  H   UNL     1       4.251  -2.290  -3.353  1.00  0.00           H  
HETATM   72  H   UNL     1       4.266  -3.897  -0.758  1.00  0.00           H  
HETATM   73  H   UNL     1       5.198  -4.284  -2.224  1.00  0.00           H  
HETATM   74  H   UNL     1       5.556  -2.801  -1.308  1.00  0.00           H  
HETATM   75  H   UNL     1       1.124  -4.405   2.731  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.540  -4.838   3.190  1.00  0.00           H  
HETATM   77  H   UNL     1       0.581  -6.721   2.030  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.793  -6.109   1.076  1.00  0.00           H  
HETATM   79  H   UNL     1       0.872  -5.677   0.618  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.764  -3.586   1.536  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.676  -4.719   2.373  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.267  -3.023   4.136  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.355  -1.890   3.298  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.002  -3.394   3.997  1.00  0.00           H  
CONECT    1   29   37    2    2                                       
CONECT    2    1    1    3   39                                       
CONECT    3   28    2   30   30                                       
CONECT    4   21   32   31   31                                       
CONECT    5   31   11    6    6                                       
CONECT    6    5    5   29   42                                       
CONECT    7   17   43   44   45                                       
CONECT    8   34   23   46   47                                       
CONECT    9   19   10   23   23                                       
CONECT   10   16    9   24   24                                       
CONECT   11   32    5   41                                            
CONECT   12   26   14   14   17                                       
CONECT   13   15   27   26   26                                       
CONECT   14   27   12   12   30                                       
CONECT   15   25   25   13   48                                       
CONECT   16   32   32   10   49                                       
CONECT   17    7   12   50   51                                       
CONECT   18   33   52   53   54                                       
CONECT   19   20    9   55   56                                       
CONECT   20   19   57   58   59                                       
CONECT   21    4   22   60   61                                       
CONECT   22   21   62   63   64                                       
CONECT   23    9    9    8   25                                       
CONECT   24   10   10   25   41                                       
CONECT   25   23   24   15   15                                       
CONECT   26   13   13   33   12                                       
CONECT   27   13   41   14                                            
CONECT   28   41   29   29    3                                       
CONECT   29    6   28   28    1                                       
CONECT   30   14    3    3                                            
CONECT   31    4    4   35    5                                       
CONECT   32    4   16   16   11                                       
CONECT   33   26   18   65   66                                       
CONECT   34    8   67   68   69                                       
CONECT   35   36   31   70   71                                       
CONECT   36   35   72   73   74                                       
CONECT   37   38    1   75   76                                       
CONECT   38   37   77   78   79                                       
CONECT   39    2   40   80   81                                       
CONECT   40   39   82   83   84                                       
CONECT   41   24   11   27   28                                       
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   40                                                      
CONECT   84   40                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
