COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.113  -1.660  -2.639  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.401  -1.822  -4.128  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.173  -0.494  -4.842  1.00  0.00           C  
HETATM    4  C   UNL     1       0.275  -0.029  -4.674  1.00  0.00           C  
HETATM    5  C   UNL     1       0.685   0.006  -3.217  1.00  0.00           C  
HETATM    6  C   UNL     1       2.165   0.343  -3.044  1.00  0.00           C  
HETATM    7  C   UNL     1       2.551   0.309  -1.591  1.00  0.00           C  
HETATM    8  C   UNL     1       1.835  -0.246  -0.662  1.00  0.00           C  
HETATM    9  C   UNL     1       0.485  -0.858  -0.932  1.00  0.00           C  
HETATM   10  C   UNL     1       0.337  -1.238  -2.409  1.00  0.00           C  
HETATM   11  C   UNL     1       0.206  -2.009   0.015  1.00  0.00           C  
HETATM   12  C   UNL     1       0.259  -1.573   1.487  1.00  0.00           C  
HETATM   13  C   UNL     1       1.085  -0.336   1.684  1.00  0.00           C  
HETATM   14  C   UNL     1       2.324  -0.319   0.755  1.00  0.00           C  
HETATM   15  C   UNL     1       3.069   0.924   1.265  1.00  0.00           C  
HETATM   16  C   UNL     1       2.879   0.852   2.804  1.00  0.00           C  
HETATM   17  C   UNL     1       1.741  -0.166   3.065  1.00  0.00           C  
HETATM   18  C   UNL     1       0.219   0.910   1.469  1.00  0.00           C  
HETATM   19  C   UNL     1       1.275  -2.400  -2.713  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.296  -0.663   4.421  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.361  -0.062   5.302  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.458  -0.895   5.795  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.491  -0.334   6.425  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.537  -1.200   7.079  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.613   1.167   6.483  1.00  0.00           C  
HETATM   26  C   UNL     1       3.208  -1.562   0.951  1.00  0.00           C  
HETATM   27  C   UNL     1       0.348   1.386  -5.228  1.00  0.00           C  
HETATM   28  C   UNL     1       1.190  -0.901  -5.531  1.00  0.00           C  
HETATM   29  O   UNL     1       0.685   2.298  -4.511  1.00  0.00           O  
HETATM   30  O   UNL     1       4.086   0.415   3.432  1.00  0.00           O  
HETATM   31  O   UNL     1       1.374   2.041   5.623  1.00  0.00           O  
HETATM   32  O   UNL     1       0.037   1.621  -6.513  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.309   1.111   5.603  1.00  0.00           O  
HETATM   34  O   UNL     1      -2.067   0.514  -4.300  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.283   0.694  -4.840  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.210   1.740  -4.277  1.00  0.00           C  
HETATM   37  O   UNL     1      -3.634   0.016  -5.777  1.00  0.00           O  
HETATM   38  C   UNL     1       0.724   0.414   4.048  1.00  0.00           C  
HETATM   39  C   UNL     1       1.436   0.881   5.291  1.00  0.00           C  
HETATM   40  H   UNL     1      -1.299  -2.609  -2.132  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.779  -0.903  -2.220  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.778  -2.603  -4.557  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.451  -2.116  -4.253  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.384  -0.615  -5.909  1.00  0.00           H  
HETATM   45  H   UNL     1       0.119   0.847  -2.745  1.00  0.00           H  
HETATM   46  H   UNL     1       2.357   1.354  -3.418  1.00  0.00           H  
HETATM   47  H   UNL     1       2.800  -0.351  -3.587  1.00  0.00           H  
HETATM   48  H   UNL     1       3.482   0.776  -1.305  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.275  -0.087  -0.769  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.792  -2.412  -0.189  1.00  0.00           H  
HETATM   51  H   UNL     1       0.925  -2.816  -0.133  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.764  -1.382   1.832  1.00  0.00           H  
HETATM   53  H   UNL     1       0.665  -2.391   2.090  1.00  0.00           H  
HETATM   54  H   UNL     1       2.648   1.838   0.855  1.00  0.00           H  
HETATM   55  H   UNL     1       4.130   0.854   1.011  1.00  0.00           H  
HETATM   56  H   UNL     1       2.596   1.832   3.191  1.00  0.00           H  
HETATM   57  H   UNL     1       2.128  -1.110   3.423  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.663   0.853   2.106  1.00  0.00           H  
HETATM   59  H   UNL     1       0.794   1.800   1.722  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.090   0.962   0.425  1.00  0.00           H  
HETATM   61  H   UNL     1       2.291  -2.133  -2.422  1.00  0.00           H  
HETATM   62  H   UNL     1       0.957  -3.280  -2.154  1.00  0.00           H  
HETATM   63  H   UNL     1       1.249  -2.619  -3.780  1.00  0.00           H  
HETATM   64  H   UNL     1       0.205  -1.469   4.955  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.755  -1.058   3.514  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.431  -1.965   5.649  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.296  -0.568   7.540  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.002  -1.838   6.327  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.068  -1.821   7.843  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.855   1.618   5.843  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.603   1.464   6.140  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.468   1.503   7.510  1.00  0.00           H  
HETATM   73  H   UNL     1       4.125  -1.451   0.372  1.00  0.00           H  
HETATM   74  H   UNL     1       3.456  -1.669   2.007  1.00  0.00           H  
HETATM   75  H   UNL     1       2.670  -2.448   0.613  1.00  0.00           H  
HETATM   76  H   UNL     1       0.996  -0.705  -6.586  1.00  0.00           H  
HETATM   77  H   UNL     1       2.231  -0.669  -5.304  1.00  0.00           H  
HETATM   78  H   UNL     1       0.998  -1.952  -5.315  1.00  0.00           H  
HETATM   79  H   UNL     1       4.759   1.082   3.240  1.00  0.00           H  
HETATM   80  H   UNL     1       0.083   2.521  -6.864  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.144   1.738  -4.841  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.417   1.517  -3.231  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.741   2.721  -4.354  1.00  0.00           H  
HETATM   84  H   UNL     1       0.210   1.256   3.585  1.00  0.00           H  
HETATM   85  H   UNL     1       2.003   0.180   5.885  1.00  0.00           H  
CONECT    1    2   10   40   41                                       
CONECT    2    1    3   42   43                                       
CONECT    3    2    4   34   44                                       
CONECT    4    3    5   27   28                                       
CONECT    5    4    6   10   45                                       
CONECT    6    5    7   46   47                                       
CONECT    7    6    8    8   48                                       
CONECT    8    7    7    9   14                                       
CONECT    9    8   10   11   49                                       
CONECT   10    1    5    9   19                                       
CONECT   11    9   12   50   51                                       
CONECT   12   11   13   52   53                                       
CONECT   13   12   14   17   18                                       
CONECT   14    8   13   15   26                                       
CONECT   15   14   16   54   55                                       
CONECT   16   15   17   30   56                                       
CONECT   17   13   16   38   57                                       
CONECT   18   13   58   59   60                                       
CONECT   19   10   61   62   63                                       
CONECT   20   21   38   64   65                                       
CONECT   21   20   22   33   33                                       
CONECT   22   21   23   23   66                                       
CONECT   23   22   22   24   25                                       
CONECT   24   23   67   68   69                                       
CONECT   25   23   70   71   72                                       
CONECT   26   14   73   74   75                                       
CONECT   27    4   29   29   32                                       
CONECT   28    4   76   77   78                                       
CONECT   29   27   27                                                 
CONECT   30   16   79                                                 
CONECT   31   39   39                                                 
CONECT   32   27   80                                                 
CONECT   33   21   21                                                 
CONECT   34    3   35                                                 
CONECT   35   34   36   37   37                                       
CONECT   36   35   81   82   83                                       
CONECT   37   35   35                                                 
CONECT   38   17   20   39   84                                       
CONECT   39   31   31   38   85                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    9                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   22                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   30                                                      
CONECT   80   32                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
