COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.813   1.941  -0.348  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.591   3.060  -1.044  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.107   4.416  -0.527  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.082   7.861  -1.315  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.449  -0.511  -0.272  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.369  -2.615   2.141  1.00  0.00           C  
HETATM    7  N   UNL     1      -6.534  -1.438   1.867  1.00  0.00           N  
HETATM    8  C   UNL     1      -6.062  -1.439   0.476  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.351  -0.115   0.181  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.302   0.088   1.192  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.037   0.377   0.829  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.204   0.632   1.677  1.00  0.00           O  
HETATM   13  N   UNL     1      -2.695   0.385  -0.475  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.297   0.585  -0.865  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.834   5.460  -1.177  1.00  0.00           O  
HETATM   16  N   UNL     1      -1.460   6.763  -0.768  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.719   9.126  -0.918  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.015   7.702  -2.211  1.00  0.00           N  
HETATM   19  O   UNL     1      -0.857  -1.148   0.676  1.00  0.00           O  
HETATM   20  N   UNL     1       0.763  -0.782  -0.795  1.00  0.00           N  
HETATM   21  C   UNL     1       1.588  -1.847  -0.219  1.00  0.00           C  
HETATM   22  C   UNL     1       3.040  -1.574  -0.517  1.00  0.00           C  
HETATM   23  C   UNL     1       3.892  -1.418   0.466  1.00  0.00           C  
HETATM   24  S   UNL     1       5.590  -1.099   0.119  1.00  0.00           S  
HETATM   25  O   UNL     1       6.340  -2.002   0.920  1.00  0.00           O  
HETATM   26  O   UNL     1       5.705  -1.037  -1.296  1.00  0.00           O  
HETATM   27  C   UNL     1       5.950   0.517   0.719  1.00  0.00           C  
HETATM   28  C   UNL     1       6.396   0.690   2.016  1.00  0.00           C  
HETATM   29  C   UNL     1       6.678   1.958   2.487  1.00  0.00           C  
HETATM   30  C   UNL     1       6.515   3.055   1.661  1.00  0.00           C  
HETATM   31  C   UNL     1       6.070   2.882   0.364  1.00  0.00           C  
HETATM   32  C   UNL     1       5.793   1.613  -0.109  1.00  0.00           C  
HETATM   33  C   UNL     1       1.186  -3.190  -0.830  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.250  -3.526  -0.424  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.646  -4.850  -1.026  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.230  -4.892  -2.278  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.594  -6.106  -2.830  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.373  -7.278  -2.130  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.788  -7.235  -0.878  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.420  -6.022  -0.328  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.672  -0.032   2.611  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.410  -1.360   2.811  1.00  0.00           C  
HETATM   43  H   UNL     1       0.250   2.052  -0.560  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.977   2.000   0.728  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.428   3.001  -2.120  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.655   2.948  -0.832  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.271   4.474   0.549  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.044   4.527  -0.739  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.788  -3.521   1.969  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.705  -2.589   3.178  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.235  -2.608   1.479  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.368  -2.266   0.328  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.913  -1.553  -0.196  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.900  -0.155  -0.811  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.069   0.704   0.223  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.375   0.257  -1.155  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.216   0.560  -1.951  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.766   6.882  -0.101  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.024   9.244  -0.251  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.157   9.900  -1.304  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.454   8.476  -2.597  1.00  0.00           H  
HETATM   62  H   UNL     1       1.089  -0.272  -1.553  1.00  0.00           H  
HETATM   63  H   UNL     1       1.438  -1.879   0.860  1.00  0.00           H  
HETATM   64  H   UNL     1       3.378  -1.507  -1.540  1.00  0.00           H  
HETATM   65  H   UNL     1       3.554  -1.486   1.490  1.00  0.00           H  
HETATM   66  H   UNL     1       6.523  -0.167   2.661  1.00  0.00           H  
HETATM   67  H   UNL     1       7.026   2.093   3.501  1.00  0.00           H  
HETATM   68  H   UNL     1       6.731   4.046   2.030  1.00  0.00           H  
HETATM   69  H   UNL     1       5.942   3.739  -0.282  1.00  0.00           H  
HETATM   70  H   UNL     1       5.445   1.478  -1.123  1.00  0.00           H  
HETATM   71  H   UNL     1       1.251  -3.129  -1.917  1.00  0.00           H  
HETATM   72  H   UNL     1       1.857  -3.969  -0.469  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.316  -3.587   0.662  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.922  -2.747  -0.785  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.403  -3.977  -2.825  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.051  -6.140  -3.808  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.658  -8.226  -2.561  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.616  -8.150  -0.331  1.00  0.00           H  
HETATM   79  H   UNL     1       0.040  -5.989   0.648  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.772  -0.017   3.226  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.324   0.795   2.891  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.787  -1.416   3.832  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.725  -2.188   2.630  1.00  0.00           H  
CONECT    1    2   14   43   44                                       
CONECT    2    3    1   45   46                                       
CONECT    3   15    2   47   48                                       
CONECT    4   18   18   16   17                                       
CONECT    5   20   14   19   19                                       
CONECT    6    7   49   50   51                                       
CONECT    7    8   42    6                                            
CONECT    8    9    7   52   53                                       
CONECT    9   10    8   54   55                                       
CONECT   10   11    9   41                                            
CONECT   11   12   12   13   10                                       
CONECT   12   11   11                                                 
CONECT   13   14   11   56                                            
CONECT   14    1    5   13   57                                       
CONECT   15   16    3                                                 
CONECT   16   15    4   58                                            
CONECT   17    4   59   60                                            
CONECT   18    4    4   61                                            
CONECT   19    5    5                                                 
CONECT   20   21    5   62                                            
CONECT   21   22   20   33   63                                       
CONECT   22   23   23   21   64                                       
CONECT   23   24   22   22   65                                       
CONECT   24   27   25   25   23                                       
CONECT   24   26   26                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   32   32   28   24                                       
CONECT   28   29   29   27   66                                       
CONECT   29   30   28   28   67                                       
CONECT   30   31   31   29   68                                       
CONECT   31   30   30   32   69                                       
CONECT   32   31   27   27   70                                       
CONECT   33   21   34   71   72                                       
CONECT   34   33   35   73   74                                       
CONECT   35   36   34   40   40                                       
CONECT   36   37   37   35   75                                       
CONECT   37   36   36   38   76                                       
CONECT   38   37   39   39   77                                       
CONECT   39   38   38   40   78                                       
CONECT   40   35   35   39   79                                       
CONECT   41   10   42   80   81                                       
CONECT   42   41    7   82   83                                       
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
CONECT   81   41                                                      
CONECT   82   42                                                      
CONECT   83   42                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
