COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.510  -0.631   2.107  1.00  0.00           C  
HETATM    2  C   UNL     1       4.686  -1.534   0.883  1.00  0.00           C  
HETATM    3  C   UNL     1       5.502  -0.794  -0.179  1.00  0.00           C  
HETATM    4  C   UNL     1       4.752   0.467  -0.614  1.00  0.00           C  
HETATM    5  C   UNL     1       4.576   1.393   0.593  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.568   2.579  -0.917  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.729   3.253  -1.058  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.823   0.831  -1.502  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.125  -0.611  -1.822  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.048  -2.649  -0.898  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.675  -3.249   0.363  1.00  0.00           C  
HETATM   12  C   UNL     1       5.710  -1.707  -1.390  1.00  0.00           C  
HETATM   13  C   UNL     1       6.450  -2.948  -0.962  1.00  0.00           C  
HETATM   14  C   UNL     1       5.869  -4.191  -1.129  1.00  0.00           C  
HETATM   15  C   UNL     1       6.548  -5.329  -0.737  1.00  0.00           C  
HETATM   16  C   UNL     1       7.808  -5.225  -0.178  1.00  0.00           C  
HETATM   17  C   UNL     1       8.389  -3.981  -0.012  1.00  0.00           C  
HETATM   18  C   UNL     1       7.712  -2.843  -0.408  1.00  0.00           C  
HETATM   19  C   UNL     1       6.494  -0.995  -2.412  1.00  0.00           C  
HETATM   20  C   UNL     1       1.227   6.547   0.240  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.398  -1.393   0.351  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.225  -4.641   0.046  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.300   3.231  -0.514  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.298   2.480   0.112  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.108   3.127   0.480  1.00  0.00           C  
HETATM   26  C   UNL     1       0.031   4.492   0.210  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.012   5.157  -0.413  1.00  0.00           C  
HETATM   28  C   UNL     1       0.003   0.924   1.065  1.00  0.00           C  
HETATM   29  C   UNL     1       0.737   2.097   1.105  1.00  0.00           C  
HETATM   30  C   UNL     1       2.080   2.275   1.654  1.00  0.00           C  
HETATM   31  C   UNL     1       2.800   1.115   2.255  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.015  -4.456   1.666  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.152  -6.635   1.059  1.00  0.00           C  
HETATM   34  N   UNL     1      -2.119   4.523  -0.753  1.00  0.00           N  
HETATM   35  N   UNL     1      -1.187   1.158   0.482  1.00  0.00           N  
HETATM   36  N   UNL     1       3.921   0.644   1.673  1.00  0.00           N  
HETATM   37  N   UNL     1      -3.664   1.280  -1.165  1.00  0.00           N  
HETATM   38  N   UNL     1      -5.520  -1.313  -0.594  1.00  0.00           N  
HETATM   39  N   UNL     1       7.100  -0.446  -3.201  1.00  0.00           N  
HETATM   40  N   UNL     1      -7.827  -5.216   1.256  1.00  0.00           N  
HETATM   41  O   UNL     1       2.609   3.369   1.622  1.00  0.00           O  
HETATM   42  O   UNL     1       2.377   0.596   3.267  1.00  0.00           O  
HETATM   43  O   UNL     1       1.168   5.154   0.552  1.00  0.00           O  
HETATM   44  S   UNL     1      -5.968   2.098  -1.543  1.00  0.00           S  
HETATM   45  H   UNL     1       3.847  -1.113   2.826  1.00  0.00           H  
HETATM   46  H   UNL     1       5.480  -0.446   2.568  1.00  0.00           H  
HETATM   47  H   UNL     1       5.210  -2.444   1.175  1.00  0.00           H  
HETATM   48  H   UNL     1       3.708  -1.791   0.477  1.00  0.00           H  
HETATM   49  H   UNL     1       6.471  -0.516   0.236  1.00  0.00           H  
HETATM   50  H   UNL     1       5.322   0.981  -1.387  1.00  0.00           H  
HETATM   51  H   UNL     1       3.773   0.191  -1.006  1.00  0.00           H  
HETATM   52  H   UNL     1       5.552   1.743   0.931  1.00  0.00           H  
HETATM   53  H   UNL     1       3.958   2.246   0.313  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.873   4.311  -0.900  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.939  -0.659  -2.546  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.237  -1.084  -2.241  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.237  -3.291  -1.240  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.805  -2.572  -1.678  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.918  -3.326   1.143  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.486  -2.607   0.706  1.00  0.00           H  
HETATM   61  H   UNL     1       4.741  -1.986  -1.805  1.00  0.00           H  
HETATM   62  H   UNL     1       4.885  -4.273  -1.566  1.00  0.00           H  
HETATM   63  H   UNL     1       6.094  -6.301  -0.867  1.00  0.00           H  
HETATM   64  H   UNL     1       8.338  -6.114   0.129  1.00  0.00           H  
HETATM   65  H   UNL     1       9.373  -3.900   0.425  1.00  0.00           H  
HETATM   66  H   UNL     1       8.168  -1.872  -0.282  1.00  0.00           H  
HETATM   67  H   UNL     1       2.185   6.952   0.565  1.00  0.00           H  
HETATM   68  H   UNL     1       1.122   6.682  -0.837  1.00  0.00           H  
HETATM   69  H   UNL     1       0.419   7.069   0.752  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.071  -0.386   0.613  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.717  -1.917   1.252  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.572  -1.934  -0.111  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.982  -4.564  -0.735  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.414  -5.283  -0.297  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.916   6.212  -0.628  1.00  0.00           H  
HETATM   76  H   UNL     1       0.334  -0.032   1.444  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.754  -4.476   0.865  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.441  -4.903   2.564  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.733  -3.424   1.873  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.242  -7.188   0.824  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.597  -7.036   1.970  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.860  -6.735   0.235  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.873   0.486   0.342  1.00  0.00           H  
CONECT    1    2   36   45   46                                       
CONECT    2    1    3   47   48                                       
CONECT    3    2    4   12   49                                       
CONECT    4    3    5   50   51                                       
CONECT    5    4   36   52   53                                       
CONECT    6    7    7   23   37                                       
CONECT    7    6    6   44   54                                       
CONECT    8    9   37   37   44                                       
CONECT    9    8   38   55   56                                       
CONECT   10   11   38   57   58                                       
CONECT   11   10   22   59   60                                       
CONECT   12    3   13   19   61                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15   62                                       
CONECT   15   14   16   16   63                                       
CONECT   16   15   15   17   64                                       
CONECT   17   16   18   18   65                                       
CONECT   18   13   17   17   66                                       
CONECT   19   12   39   39   39                                       
CONECT   20   43   67   68   69                                       
CONECT   21   38   70   71   72                                       
CONECT   22   11   40   73   74                                       
CONECT   23    6   24   24   34                                       
CONECT   24   23   23   25   35                                       
CONECT   25   24   26   26   29                                       
CONECT   26   25   25   27   43                                       
CONECT   27   26   34   34   75                                       
CONECT   28   29   29   35   76                                       
CONECT   29   25   28   28   30                                       
CONECT   30   29   31   41   41                                       
CONECT   31   30   36   42   42                                       
CONECT   32   40   77   78   79                                       
CONECT   33   40   80   81   82                                       
CONECT   34   23   27   27                                            
CONECT   35   24   28   83                                            
CONECT   36    1    5   31                                            
CONECT   37    6    8    8                                            
CONECT   38    9   10   21                                            
CONECT   39   19   19   19                                            
CONECT   40   22   32   33                                            
CONECT   41   30   30                                                 
CONECT   42   31   31                                                 
CONECT   43   20   26                                                 
CONECT   44    7    8                                                 
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    7                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
CONECT   83   35                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
