COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.604   0.732  -0.792  1.00  0.00           C  
HETATM    2  C   UNL     1       4.456  -0.045  -0.824  1.00  0.00           C  
HETATM    3  C   UNL     1       3.316   0.370  -0.135  1.00  0.00           C  
HETATM    4  C   UNL     1       3.336   1.565   0.584  1.00  0.00           C  
HETATM    5  C   UNL     1       4.488   2.337   0.611  1.00  0.00           C  
HETATM    6  C   UNL     1       5.621   1.921  -0.076  1.00  0.00           C  
HETATM    7  C   UNL     1       2.089  -0.456  -0.167  1.00  0.00           C  
HETATM    8  N   UNL     1       0.989  -0.054   0.499  1.00  0.00           N  
HETATM    9  O   UNL     1       2.074  -1.497  -0.794  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.226  -0.871   0.467  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.144  -1.949   1.549  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.445   0.017   0.723  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.380   0.545   2.049  1.00  0.00           O  
HETATM   14  C   UNL     1       0.983  -2.897   1.230  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.722  -0.812   0.567  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.894   0.065   0.695  1.00  0.00           N  
HETATM   17  C   UNL     1      -5.140  -0.698   0.550  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.239   0.219   0.076  1.00  0.00           C  
HETATM   19  N   UNL     1      -7.480  -0.266  -0.128  1.00  0.00           N  
HETATM   20  O   UNL     1      -6.006   1.393  -0.121  1.00  0.00           O  
HETATM   21  C   UNL     1      -8.547   0.626  -0.588  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.528  -1.304   1.900  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.903   0.061  -0.161  1.00  0.00           C  
HETATM   24  C   UNL     1     -11.018   0.992  -0.641  1.00  0.00           C  
HETATM   25  C   UNL     1     -10.969   1.102  -2.167  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.613   1.667  -2.594  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.498   0.736  -2.113  1.00  0.00           C  
HETATM   28  C   UNL     1       2.255  -2.646   1.709  1.00  0.00           C  
HETATM   29  C   UNL     1       3.289  -3.515   1.416  1.00  0.00           C  
HETATM   30  C   UNL     1       3.051  -4.637   0.643  1.00  0.00           C  
HETATM   31  C   UNL     1       1.779  -4.889   0.165  1.00  0.00           C  
HETATM   32  C   UNL     1       0.744  -4.021   0.462  1.00  0.00           C  
HETATM   33  N   UNL     1       4.508   3.534   1.331  1.00  0.00           N  
HETATM   34  C   UNL     1       3.314   3.974   2.056  1.00  0.00           C  
HETATM   35  C   UNL     1       3.602   5.305   2.754  1.00  0.00           C  
HETATM   36  N   UNL     1       6.750   0.313  -1.478  1.00  0.00           N  
HETATM   37  C   UNL     1       6.883  -0.981  -2.157  1.00  0.00           C  
HETATM   38  C   UNL     1       8.399  -1.178  -2.376  1.00  0.00           C  
HETATM   39  C   UNL     1       8.908   0.282  -2.394  1.00  0.00           C  
HETATM   40  C   UNL     1       7.869   1.048  -1.605  1.00  0.00           C  
HETATM   41  O   UNL     1       8.024   2.162  -1.151  1.00  0.00           O  
HETATM   42  H   UNL     1       4.444  -0.970  -1.382  1.00  0.00           H  
HETATM   43  H   UNL     1       6.517   2.523  -0.053  1.00  0.00           H  
HETATM   44  H   UNL     1       2.455   1.890   1.118  1.00  0.00           H  
HETATM   45  H   UNL     1       5.314   4.075   1.350  1.00  0.00           H  
HETATM   46  H   UNL     1       1.002   0.777   0.999  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.320  -1.344  -0.511  1.00  0.00           H  
HETATM   48  H   UNL     1       0.039  -1.480   2.516  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.083  -2.501   1.585  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.455   0.837   0.006  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.368  -0.130   2.741  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.729  -1.287  -0.414  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.755  -1.578   1.342  1.00  0.00           H  
HETATM   54  H   UNL     1       2.441  -1.770   2.313  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.251  -4.220   0.091  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.876   0.566   1.570  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.995  -1.497  -0.178  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.673  -0.505   2.628  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.453  -1.870   1.793  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.734  -1.967   2.243  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.666  -1.204   0.030  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.411   1.614  -0.148  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.040  -0.927  -0.601  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.939  -0.018   0.926  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.532   1.139  -2.417  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.635  -0.252  -2.553  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.984   0.589  -0.337  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.882   1.980  -0.201  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.106   0.114  -2.607  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.763   1.765  -2.509  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.578   1.746  -3.680  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.476   2.655  -2.153  1.00  0.00           H  
HETATM   73  H   UNL     1       4.283  -3.318   1.790  1.00  0.00           H  
HETATM   74  H   UNL     1       3.859  -5.316   0.414  1.00  0.00           H  
HETATM   75  H   UNL     1       1.592  -5.765  -0.439  1.00  0.00           H  
HETATM   76  H   UNL     1       2.490   4.103   1.354  1.00  0.00           H  
HETATM   77  H   UNL     1       3.044   3.225   2.799  1.00  0.00           H  
HETATM   78  H   UNL     1       3.872   6.054   2.010  1.00  0.00           H  
HETATM   79  H   UNL     1       2.713   5.632   3.293  1.00  0.00           H  
HETATM   80  H   UNL     1       4.426   5.176   3.456  1.00  0.00           H  
HETATM   81  H   UNL     1       6.486  -1.778  -1.528  1.00  0.00           H  
HETATM   82  H   UNL     1       8.843  -1.735  -1.551  1.00  0.00           H  
HETATM   83  H   UNL     1       9.884   0.352  -1.914  1.00  0.00           H  
HETATM   84  H   UNL     1       8.956   0.656  -3.417  1.00  0.00           H  
HETATM   85  H   UNL     1       6.363  -0.960  -3.114  1.00  0.00           H  
HETATM   86  H   UNL     1       8.595  -1.671  -3.328  1.00  0.00           H  
CONECT    1    2    6    6   36                                       
CONECT    2    1    3    3   42                                       
CONECT    3    2    2    4    7                                       
CONECT    4    3    5    5   44                                       
CONECT    5    4    4    6   33                                       
CONECT    6    1    1    5   43                                       
CONECT    7    3    8    9    9                                       
CONECT    8    7   10   46                                            
CONECT    9    7    7                                                 
CONECT   10    8   11   12   47                                       
CONECT   11   10   14   48   49                                       
CONECT   12   10   13   15   50                                       
CONECT   13   12   51                                                 
CONECT   14   11   28   32   32                                       
CONECT   15   12   16   52   53                                       
CONECT   16   15   17   56                                            
CONECT   17   16   18   22   57                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18   21   61                                            
CONECT   20   18   18                                                 
CONECT   21   19   23   27   62                                       
CONECT   22   17   58   59   60                                       
CONECT   23   21   24   63   64                                       
CONECT   24   23   25   67   68                                       
CONECT   25   24   26   69   70                                       
CONECT   26   25   27   71   72                                       
CONECT   27   21   26   65   66                                       
CONECT   28   14   29   29   54                                       
CONECT   29   28   28   30   73                                       
CONECT   30   29   31   31   74                                       
CONECT   31   30   30   32   75                                       
CONECT   32   14   14   31   55                                       
CONECT   33    5   34   45                                            
CONECT   34   33   35   76   77                                       
CONECT   35   34   78   79   80                                       
CONECT   36    1   37   40                                            
CONECT   37   36   38   81   85                                       
CONECT   38   37   39   82   86                                       
CONECT   39   38   40   83   84                                       
CONECT   40   36   39   41   41                                       
CONECT   41   40   40                                                 
CONECT   42    2                                                      
CONECT   43    6                                                      
CONECT   44    4                                                      
CONECT   45   33                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   28                                                      
CONECT   55   32                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   19                                                      
CONECT   62   21                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
