COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.535   5.750   0.371  1.00  0.00           C  
HETATM    2  C   UNL     1      11.483  -0.305   0.262  1.00  0.00           C  
HETATM    3  C   UNL     1       4.842  -3.356   2.475  1.00  0.00           C  
HETATM    4  C   UNL     1       3.818  -2.975   0.229  1.00  0.00           C  
HETATM    5  O   UNL     1      -8.095   3.188  -0.252  1.00  0.00           O  
HETATM    6  O   UNL     1      -2.693  -1.985  -1.210  1.00  0.00           O  
HETATM    7  O   UNL     1       4.117   1.199   2.750  1.00  0.00           O  
HETATM    8  O   UNL     1       2.783   2.095   0.835  1.00  0.00           O  
HETATM    9  O   UNL     1       0.369   1.021   1.192  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.123  -0.764  -4.560  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.546   0.077  -3.548  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.827  -1.247  -4.560  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.674   0.436  -2.537  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.955  -0.888  -3.549  1.00  0.00           C  
HETATM   15  C   UNL     1       5.027   1.541  -0.923  1.00  0.00           C  
HETATM   16  C   UNL     1       6.154   1.530  -1.723  1.00  0.00           C  
HETATM   17  C   UNL     1       6.306   0.681   0.915  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.445   2.149   1.079  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.096  -0.783   2.252  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.252  -3.406   0.333  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.428   0.347  -1.436  1.00  0.00           C  
HETATM   22  C   UNL     1       3.274  -1.443   2.126  1.00  0.00           C  
HETATM   23  C   UNL     1       1.919  -0.533   0.182  1.00  0.00           C  
HETATM   24  N   UNL     1       8.643   0.967  -1.748  1.00  0.00           N  
HETATM   25  N   UNL     1      -6.821   4.588   0.905  1.00  0.00           N  
HETATM   26  N   UNL     1      10.729   0.220  -0.879  1.00  0.00           N  
HETATM   27  N   UNL     1      -1.866  -0.589   0.306  1.00  0.00           N  
HETATM   28  O   UNL     1      -7.007   0.953   0.535  1.00  0.00           O  
HETATM   29  O   UNL     1      -7.057  -2.219   2.113  1.00  0.00           O  
HETATM   30  O   UNL     1      -6.662  -3.711   0.350  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.111  -1.224   0.318  1.00  0.00           O  
HETATM   32  O   UNL     1       8.726   0.299   0.360  1.00  0.00           O  
HETATM   33  C   UNL     1      -7.180   3.345   0.529  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.884  -1.291  -0.231  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.379  -0.046  -2.538  1.00  0.00           C  
HETATM   36  C   UNL     1       5.104   1.117   0.392  1.00  0.00           C  
HETATM   37  C   UNL     1       9.456   0.475  -0.758  1.00  0.00           C  
HETATM   38  C   UNL     1       7.363   1.093  -1.205  1.00  0.00           C  
HETATM   39  C   UNL     1       7.442   0.666   0.120  1.00  0.00           C  
HETATM   40  C   UNL     1       4.371  -2.292   1.481  1.00  0.00           C  
HETATM   41  C   UNL     1       0.521  -0.336   0.771  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.530  -0.662  -0.291  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.379  -0.245   0.994  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.159  -2.006  -0.313  1.00  0.00           C  
HETATM   45  N   UNL     1       2.923  -0.337   1.231  1.00  0.00           N  
HETATM   46  C   UNL     1      -7.320  -2.481   0.719  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.541  -1.373  -0.046  1.00  0.00           C  
HETATM   48  S   UNL     1       3.662   1.135   1.405  1.00  0.00           S  
HETATM   49  H   UNL     1      -7.442   5.766  -0.715  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.589   5.686   0.644  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.107   6.662   0.786  1.00  0.00           H  
HETATM   52  H   UNL     1      12.523  -0.454  -0.028  1.00  0.00           H  
HETATM   53  H   UNL     1      11.434   0.406   1.087  1.00  0.00           H  
HETATM   54  H   UNL     1      11.053  -1.256   0.575  1.00  0.00           H  
HETATM   55  H   UNL     1       5.624  -3.961   2.016  1.00  0.00           H  
HETATM   56  H   UNL     1       5.236  -2.869   3.368  1.00  0.00           H  
HETATM   57  H   UNL     1       4.003  -3.994   2.750  1.00  0.00           H  
HETATM   58  H   UNL     1       2.896  -3.501   0.478  1.00  0.00           H  
HETATM   59  H   UNL     1       3.612  -2.224  -0.534  1.00  0.00           H  
HETATM   60  H   UNL     1       4.551  -3.687  -0.151  1.00  0.00           H  
HETATM   61  H   UNL     1       0.472   1.668   0.480  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.805  -1.048  -5.347  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.558   0.455  -3.548  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.496  -1.905  -5.350  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.005   1.094  -1.747  1.00  0.00           H  
HETATM   66  H   UNL     1       0.057  -1.265  -3.550  1.00  0.00           H  
HETATM   67  H   UNL     1       4.085   1.885  -1.324  1.00  0.00           H  
HETATM   68  H   UNL     1       6.092   1.860  -2.749  1.00  0.00           H  
HETATM   69  H   UNL     1       6.361   0.352   1.942  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.539   2.133   2.165  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.392   2.213   0.806  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.128  -0.433   2.279  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.565  -0.475   3.152  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.856  -3.382   1.348  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.713  -4.138  -0.268  1.00  0.00           H  
HETATM   76  H   UNL     1       0.591   0.356  -1.823  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.687   1.340  -1.070  1.00  0.00           H  
HETATM   78  H   UNL     1       2.393  -2.060   2.303  1.00  0.00           H  
HETATM   79  H   UNL     1       3.633  -1.043   3.074  1.00  0.00           H  
HETATM   80  H   UNL     1       2.005  -1.543  -0.219  1.00  0.00           H  
HETATM   81  H   UNL     1       2.082   0.190  -0.617  1.00  0.00           H  
HETATM   82  H   UNL     1       8.908   1.185  -2.655  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.089   4.714   1.530  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.019  -0.035   1.088  1.00  0.00           H  
HETATM   85  H   UNL     1       5.210  -1.654   1.207  1.00  0.00           H  
HETATM   86  H   UNL     1       0.391  -0.998   1.627  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.359  -1.667  -0.675  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.324  -0.066   1.204  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.977  -2.092  -1.385  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.386  -2.493   0.490  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.038  -1.040  -0.958  1.00  0.00           H  
CONECT    1   25   49   50   51                                       
CONECT    2   26   52   53   54                                       
CONECT    3   40   55   56   57                                       
CONECT    4   40   58   59   60                                       
CONECT    5   33   33                                                 
CONECT    6   34   34                                                 
CONECT    7   48   48                                                 
CONECT    8   48   48                                                 
CONECT    9   41   61                                                 
CONECT   10   11   11   12   62                                       
CONECT   11   10   10   13   63                                       
CONECT   12   10   14   14   64                                       
CONECT   13   11   35   35   65                                       
CONECT   14   12   12   35   66                                       
CONECT   15   16   16   36   67                                       
CONECT   16   15   15   38   68                                       
CONECT   17   36   36   39   69                                       
CONECT   18   28   33   70   71                                       
CONECT   19   29   43   72   73                                       
CONECT   20   30   44   74   75                                       
CONECT   21   35   42   76   77                                       
CONECT   22   40   45   78   79                                       
CONECT   23   41   45   80   81                                       
CONECT   24   37   38   82                                            
CONECT   25    1   33   83                                            
CONECT   26    2   37   37                                            
CONECT   27   34   42   84                                            
CONECT   28   18   43                                                 
CONECT   29   19   46                                                 
CONECT   30   20   46                                                 
CONECT   31   34   44                                                 
CONECT   32   37   39                                                 
CONECT   33    5    5   18   25                                       
CONECT   34    6    6   27   31                                       
CONECT   35   13   13   14   21                                       
CONECT   36   15   17   17   48                                       
CONECT   37   24   26   26   32                                       
CONECT   38   16   24   39   39                                       
CONECT   39   17   32   38   38                                       
CONECT   40    3    4   22   85                                       
CONECT   41    9   23   42   86                                       
CONECT   42   21   27   41   87                                       
CONECT   43   19   28   47   88                                       
CONECT   44   20   31   47   89                                       
CONECT   45   22   23   48                                            
CONECT   46   29   30   47   90                                       
CONECT   47   43   44   46   91                                       
CONECT   48    7    7    8    8                                       
CONECT   48   36   45                                                 
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    2                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    4                                                      
CONECT   60    4                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   21                                                      
CONECT   77   21                                                      
CONECT   78   22                                                      
CONECT   79   22                                                      
CONECT   80   23                                                      
CONECT   81   23                                                      
CONECT   82   24                                                      
CONECT   83   25                                                      
CONECT   84   27                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
CONECT   87   42                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
CONECT   90   46                                                      
CONECT   91   47                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
