COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.834   0.061   0.368  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.821   1.069  -0.111  1.00  0.00           C  
HETATM    3  C   UNL     1       0.807   2.116   0.124  1.00  0.00           C  
HETATM    4  C   UNL     1       2.254   1.893   0.568  1.00  0.00           C  
HETATM    5  C   UNL     1       3.839   0.053   0.373  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.726   1.012  -1.637  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.032   1.461  -2.239  1.00  0.00           C  
HETATM    8  C   UNL     1       3.079   3.147   0.269  1.00  0.00           C  
HETATM    9  C   UNL     1       4.472   2.975   0.816  1.00  0.00           C  
HETATM   10  C   UNL     1       5.461   2.418   0.027  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.975  -1.074   2.398  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.555  -1.073   1.077  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.078  -2.009   0.204  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.378  -2.931   1.867  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.904  -2.023   2.795  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.543  -0.065   0.598  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.134  -0.634   0.774  1.00  0.00           C  
HETATM   18  C   UNL     1       4.763   3.379   2.106  1.00  0.00           C  
HETATM   19  C   UNL     1       6.041   3.221   2.608  1.00  0.00           C  
HETATM   20  C   UNL     1       7.029   2.659   1.820  1.00  0.00           C  
HETATM   21  C   UNL     1       6.739   2.260   0.529  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.482   3.221  -2.969  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.428   2.286  -3.345  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.179   0.938  -3.162  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.981   0.526  -2.609  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.284   2.809  -2.417  1.00  0.00           C  
HETATM   27  C   UNL     1       4.419  -1.120  -0.376  1.00  0.00           C  
HETATM   28  C   UNL     1       5.556  -1.735   0.443  1.00  0.00           C  
HETATM   29  C   UNL     1       6.136  -2.907  -0.306  1.00  0.00           C  
HETATM   30  C   UNL     1       7.130  -5.073  -1.618  1.00  0.00           C  
HETATM   31  C   UNL     1       7.689  -3.832  -1.857  1.00  0.00           C  
HETATM   32  C   UNL     1       7.187  -2.725  -1.191  1.00  0.00           C  
HETATM   33  C   UNL     1       5.631  -4.180  -0.113  1.00  0.00           C  
HETATM   34  N   UNL     1      -8.964  -2.894   0.616  1.00  0.00           N  
HETATM   35  N   UNL     1      -4.150   0.347   0.308  1.00  0.00           N  
HETATM   36  N   UNL     1       2.818   0.754  -0.160  1.00  0.00           N  
HETATM   37  N   UNL     1       6.134  -5.210  -0.764  1.00  0.00           N  
HETATM   38  O   UNL     1      -2.465  -1.010   0.802  1.00  0.00           O  
HETATM   39  O   UNL     1       4.291   0.365   1.454  1.00  0.00           O  
HETATM   40  S   UNL     1      -0.201   0.689   0.611  1.00  0.00           S  
HETATM   41  H   UNL     1      -2.131   2.069   0.196  1.00  0.00           H  
HETATM   42  H   UNL     1       0.417   3.016   0.598  1.00  0.00           H  
HETATM   43  H   UNL     1       0.774   2.232  -0.960  1.00  0.00           H  
HETATM   44  H   UNL     1       2.279   1.689   1.638  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.925   1.668  -1.976  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.515  -0.011  -1.949  1.00  0.00           H  
HETATM   47  H   UNL     1       3.128   3.301  -0.809  1.00  0.00           H  
HETATM   48  H   UNL     1       2.608   4.011   0.738  1.00  0.00           H  
HETATM   49  H   UNL     1       5.235   2.107  -0.982  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.583  -0.355   3.103  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.757  -2.015  -0.827  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.105  -3.671   2.168  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.246  -2.058   3.819  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.718   0.154  -0.456  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.640   0.852   1.180  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.959  -0.852   1.827  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.037  -1.550   0.192  1.00  0.00           H  
HETATM   58  H   UNL     1       3.991   3.818   2.721  1.00  0.00           H  
HETATM   59  H   UNL     1       6.268   3.537   3.615  1.00  0.00           H  
HETATM   60  H   UNL     1       8.027   2.537   2.212  1.00  0.00           H  
HETATM   61  H   UNL     1       7.510   1.821  -0.086  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.679   4.274  -3.107  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.364   2.608  -3.777  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.918   0.208  -3.455  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.786  -0.526  -2.467  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.545   3.539  -2.123  1.00  0.00           H  
HETATM   67  H   UNL     1       3.643  -1.867  -0.538  1.00  0.00           H  
HETATM   68  H   UNL     1       4.805  -0.782  -1.337  1.00  0.00           H  
HETATM   69  H   UNL     1       6.333  -0.987   0.605  1.00  0.00           H  
HETATM   70  H   UNL     1       5.170  -2.073   1.404  1.00  0.00           H  
HETATM   71  H   UNL     1       7.515  -5.941  -2.132  1.00  0.00           H  
HETATM   72  H   UNL     1       8.505  -3.726  -2.557  1.00  0.00           H  
HETATM   73  H   UNL     1       7.605  -1.743  -1.359  1.00  0.00           H  
HETATM   74  H   UNL     1       4.815  -4.331   0.578  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.445   1.201  -0.042  1.00  0.00           H  
HETATM   76  H   UNL     1       2.457   0.503  -1.025  1.00  0.00           H  
CONECT    1   38   38   35    2                                       
CONECT    2    1   40    6   41                                       
CONECT    3    4   40   42   43                                       
CONECT    4    8    3   36   44                                       
CONECT    5   36   39   39   27                                       
CONECT    6    2    7   45   46                                       
CONECT    7    6   25   25   26                                       
CONECT    8    9    4   47   48                                       
CONECT    9   18   18   10    8                                       
CONECT   10   21   21    9   49                                       
CONECT   11   15   12   12   50                                       
CONECT   12   11   11   13   16                                       
CONECT   13   34   34   12   51                                       
CONECT   14   15   15   34   52                                       
CONECT   15   14   14   11   53                                       
CONECT   16   12   17   54   55                                       
CONECT   17   16   35   56   57                                       
CONECT   18   19    9    9   58                                       
CONECT   19   20   20   18   59                                       
CONECT   20   19   19   21   60                                       
CONECT   21   20   10   10   61                                       
CONECT   22   26   26   23   62                                       
CONECT   23   24   24   22   63                                       
CONECT   24   25   23   23   64                                       
CONECT   25    7    7   24   65                                       
CONECT   26    7   22   22   66                                       
CONECT   27    5   28   67   68                                       
CONECT   28   29   27   69   70                                       
CONECT   29   32   32   33   28                                       
CONECT   30   31   31   37   71                                       
CONECT   31   30   30   32   72                                       
CONECT   32   31   29   29   73                                       
CONECT   33   37   37   29   74                                       
CONECT   34   14   13   13                                            
CONECT   35   17    1   75                                            
CONECT   36    4    5   76                                            
CONECT   37   30   33   33                                            
CONECT   38    1    1                                                 
CONECT   39    5    5                                                 
CONECT   40    3    2                                                 
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
