COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.597  -0.419  -0.800  1.00  0.00           C  
HETATM    2  C   UNL     1       5.839  -1.714   0.193  1.00  0.00           C  
HETATM    3  C   UNL     1       5.167  -3.087   0.141  1.00  0.00           C  
HETATM    4  C   UNL     1       4.804  -0.626  -0.107  1.00  0.00           C  
HETATM    5  C   UNL     1       2.505  -0.219   0.437  1.00  0.00           C  
HETATM    6  C   UNL     1       1.334   1.678  -0.448  1.00  0.00           C  
HETATM    7  C   UNL     1       1.525   3.143  -0.846  1.00  0.00           C  
HETATM    8  C   UNL     1       0.258   1.580   0.637  1.00  0.00           C  
HETATM    9  C   UNL     1       0.116   0.119   1.073  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.150  -0.333   1.712  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.093  -0.268   2.885  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.132  -1.758   1.150  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.532  -2.115   0.642  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.962  -1.083  -0.405  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.544  -2.269  -1.830  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.950  -2.567  -2.283  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.909   0.315   0.216  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.280   1.357  -0.840  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.157   2.759  -0.239  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.580   3.799  -1.279  1.00  0.00           C  
HETATM   21  C   UNL     1       1.476  -0.393   1.556  1.00  0.00           C  
HETATM   22  C   UNL     1       5.497   0.740  -0.113  1.00  0.00           C  
HETATM   23  C   UNL     1       6.633   0.720  -1.140  1.00  0.00           C  
HETATM   24  N   UNL     1      -5.329  -1.373  -0.846  1.00  0.00           N  
HETATM   25  O   UNL     1       8.630  -0.480  -1.787  1.00  0.00           O  
HETATM   26  O   UNL     1       6.883  -1.657  -0.782  1.00  0.00           O  
HETATM   27  O   UNL     1       6.104  -4.091   0.535  1.00  0.00           O  
HETATM   28  O   UNL     1       3.789  -0.643   0.899  1.00  0.00           O  
HETATM   29  O   UNL     1       2.566   1.157   0.057  1.00  0.00           O  
HETATM   30  O   UNL     1       2.445   3.224  -1.937  1.00  0.00           O  
HETATM   31  O   UNL     1       0.637   2.379   1.759  1.00  0.00           O  
HETATM   32  O   UNL     1      -0.835   0.028   2.137  1.00  0.00           O  
HETATM   33  O   UNL     1      -4.368  -0.663   2.744  1.00  0.00           O  
HETATM   34  O   UNL     1      -2.702   0.141   3.953  1.00  0.00           O  
HETATM   35  O   UNL     1      -3.507  -3.415   0.049  1.00  0.00           O  
HETATM   36  O   UNL     1      -6.917  -3.541  -3.328  1.00  0.00           O  
HETATM   37  O   UNL     1      -4.606  -2.835  -2.350  1.00  0.00           O  
HETATM   38  O   UNL     1      -3.396   1.239  -1.957  1.00  0.00           O  
HETATM   39  O   UNL     1      -5.003   2.861   0.908  1.00  0.00           O  
HETATM   40  O   UNL     1      -4.356   5.111  -0.759  1.00  0.00           O  
HETATM   41  O   UNL     1      -2.588   0.572   0.697  1.00  0.00           O  
HETATM   42  O   UNL     1       1.372  -1.777   1.898  1.00  0.00           O  
HETATM   43  O   UNL     1       4.552   1.753  -0.464  1.00  0.00           O  
HETATM   44  O   UNL     1       7.332   1.965  -1.103  1.00  0.00           O  
HETATM   45  H   UNL     1       8.040  -0.241   0.179  1.00  0.00           H  
HETATM   46  H   UNL     1       6.260  -1.552   1.186  1.00  0.00           H  
HETATM   47  H   UNL     1       4.314  -3.099   0.821  1.00  0.00           H  
HETATM   48  H   UNL     1       4.825  -3.286  -0.874  1.00  0.00           H  
HETATM   49  H   UNL     1       4.353  -0.812  -1.082  1.00  0.00           H  
HETATM   50  H   UNL     1       2.212  -0.821  -0.424  1.00  0.00           H  
HETATM   51  H   UNL     1       1.026   1.101  -1.319  1.00  0.00           H  
HETATM   52  H   UNL     1       0.567   3.565  -1.147  1.00  0.00           H  
HETATM   53  H   UNL     1       1.918   3.702   0.003  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.692   1.937   0.240  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.221  -0.483   0.229  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.420  -1.816   0.327  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.839  -2.455   1.935  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.235  -2.107   1.474  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.287  -1.128  -1.260  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.528  -2.954  -1.444  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.414  -1.653  -2.653  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.615   0.371   1.045  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.306   1.192  -1.170  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.123   2.939   0.054  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.994   3.663  -2.188  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.639   3.674  -1.507  1.00  0.00           H  
HETATM   67  H   UNL     1       1.790   0.176   2.431  1.00  0.00           H  
HETATM   68  H   UNL     1       5.903   0.947   0.877  1.00  0.00           H  
HETATM   69  H   UNL     1       6.220   0.562  -2.137  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.079  -0.920  -0.430  1.00  0.00           H  
HETATM   71  H   UNL     1       9.278  -1.181  -1.635  1.00  0.00           H  
HETATM   72  H   UNL     1       5.745  -4.989   0.525  1.00  0.00           H  
HETATM   73  H   UNL     1       2.614   4.125  -2.243  1.00  0.00           H  
HETATM   74  H   UNL     1       0.751   3.317   1.554  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.935  -0.603   3.525  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.236  -4.119   0.655  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.789  -3.782  -3.669  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.464   1.375  -1.737  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.940   2.712   0.720  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.602   5.822  -1.367  1.00  0.00           H  
HETATM   81  H   UNL     1       2.198  -2.168   2.213  1.00  0.00           H  
HETATM   82  H   UNL     1       4.924   2.646  -0.487  1.00  0.00           H  
HETATM   83  H   UNL     1       8.069   2.021  -1.726  1.00  0.00           H  
CONECT    1   26   25   23   45                                       
CONECT    2    3   26    4   46                                       
CONECT    3   27    2   47   48                                       
CONECT    4    2   28   22   49                                       
CONECT    5   21   28   29   50                                       
CONECT    6    8   29    7   51                                       
CONECT    7    6   30   52   53                                       
CONECT    8    9    6   31   54                                       
CONECT    9   32   21    8   55                                       
CONECT   10   41   11   12   32                                       
CONECT   11   34   34   33   10                                       
CONECT   12   13   10   56   57                                       
CONECT   13   14   35   12   58                                       
CONECT   14   24   17   13   59                                       
CONECT   15   16   24   37   37                                       
CONECT   16   36   15   60   61                                       
CONECT   17   18   14   41   62                                       
CONECT   18   19   17   38   63                                       
CONECT   19   20   39   18   64                                       
CONECT   20   40   19   65   66                                       
CONECT   21   42    9    5   67                                       
CONECT   22    4   23   43   68                                       
CONECT   23    1   22   44   69                                       
CONECT   24   15   14   70                                            
CONECT   25    1   71                                                 
CONECT   26    2    1                                                 
CONECT   27    3   72                                                 
CONECT   28    5    4                                                 
CONECT   29    5    6                                                 
CONECT   30    7   73                                                 
CONECT   31    8   74                                                 
CONECT   32   10    9                                                 
CONECT   33   11   75                                                 
CONECT   34   11   11                                                 
CONECT   35   13   76                                                 
CONECT   36   16   77                                                 
CONECT   37   15   15                                                 
CONECT   38   18   78                                                 
CONECT   39   19   79                                                 
CONECT   40   20   80                                                 
CONECT   41   17   10                                                 
CONECT   42   21   81                                                 
CONECT   43   22   82                                                 
CONECT   44   23   83                                                 
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   27                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   33                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
CONECT   83   44                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
