COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.991   1.813  -0.886  1.00  0.00           N  
HETATM    2  N   UNL     1       3.184  -1.953   0.548  1.00  0.00           N  
HETATM    3  C   UNL     1       3.054   0.523  -0.397  1.00  0.00           C  
HETATM    4  C   UNL     1       3.994  -1.022   1.020  1.00  0.00           C  
HETATM    5  C   UNL     1       2.302  -1.650  -0.402  1.00  0.00           C  
HETATM    6  C   UNL     1       1.608  -3.954  -0.492  1.00  0.00           C  
HETATM    7  C   UNL     1       2.865  -4.439  -0.156  1.00  0.00           C  
HETATM    8  C   UNL     1       1.909  -6.582   0.318  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.446  -2.919   0.411  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.119  -1.243   1.207  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.269   0.912   1.507  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.444   3.522  -1.069  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.839   4.044  -1.418  1.00  0.00           C  
HETATM   14  C   UNL     1       5.207   2.361  -0.099  1.00  0.00           C  
HETATM   15  C   UNL     1       8.298   3.936   1.075  1.00  0.00           C  
HETATM   16  C   UNL     1       4.529   5.051  -0.035  1.00  0.00           C  
HETATM   17  C   UNL     1       2.073   5.913  -0.766  1.00  0.00           C  
HETATM   18  C   UNL     1       0.656  -6.102  -0.015  1.00  0.00           C  
HETATM   19  C   UNL     1       0.502  -4.791  -0.420  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.823  -2.307   0.148  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.913   0.309   1.766  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.159   1.955   0.394  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.554   2.478   0.045  1.00  0.00           C  
HETATM   24  C   UNL     1       3.597   4.114  -0.449  1.00  0.00           C  
HETATM   25  C   UNL     1       6.139   3.304   0.304  1.00  0.00           C  
HETATM   26  C   UNL     1       5.798   4.648   0.336  1.00  0.00           C  
HETATM   27  C   UNL     1       3.934   2.763  -0.477  1.00  0.00           C  
HETATM   28  C   UNL     1       3.012  -5.751   0.249  1.00  0.00           C  
HETATM   29  N   UNL     1       3.933   0.212   0.553  1.00  0.00           N  
HETATM   30  N   UNL     1       1.455  -2.624  -0.896  1.00  0.00           N  
HETATM   31  N   UNL     1      -4.438  -0.657   0.955  1.00  0.00           N  
HETATM   32  N   UNL     1      -8.733   5.046  -2.487  1.00  0.00           N  
HETATM   33  N   UNL     1      -6.762   1.554   2.733  1.00  0.00           N  
HETATM   34  N   UNL     1       2.237  -0.410  -0.875  1.00  0.00           N  
HETATM   35  O   UNL     1       2.349   4.512  -0.818  1.00  0.00           O  
HETATM   36  O   UNL     1      -1.954  -5.301  -0.680  1.00  0.00           O  
HETATM   37  O   UNL     1      -4.248   0.692   2.706  1.00  0.00           O  
HETATM   38  O   UNL     1      -0.913  -3.579  -2.119  1.00  0.00           O  
HETATM   39  O   UNL     1       7.389   2.911   0.670  1.00  0.00           O  
HETATM   40  S   UNL     1      -1.095  -4.181  -0.845  1.00  0.00           S  
HETATM   41  H   UNL     1       2.295   2.059  -1.515  1.00  0.00           H  
HETATM   42  H   UNL     1       4.709  -1.271   1.791  1.00  0.00           H  
HETATM   43  H   UNL     1       3.727  -3.790  -0.211  1.00  0.00           H  
HETATM   44  H   UNL     1       2.027  -7.608   0.635  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.687  -2.139   0.364  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.436  -3.378   1.400  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.109  -1.702   2.195  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.360  -0.463   1.160  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.963   0.128   1.203  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.995   3.066  -1.951  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.820   4.349  -0.730  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.462   3.216  -1.757  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.288   4.500  -0.536  1.00  0.00           H  
HETATM   54  H   UNL     1       5.473   1.315  -0.124  1.00  0.00           H  
HETATM   55  H   UNL     1       8.441   4.641   0.255  1.00  0.00           H  
HETATM   56  H   UNL     1       7.892   4.462   1.939  1.00  0.00           H  
HETATM   57  H   UNL     1       9.256   3.488   1.339  1.00  0.00           H  
HETATM   58  H   UNL     1       4.266   6.099  -0.009  1.00  0.00           H  
HETATM   59  H   UNL     1       1.046   6.093  -1.084  1.00  0.00           H  
HETATM   60  H   UNL     1       2.204   6.271   0.256  1.00  0.00           H  
HETATM   61  H   UNL     1       2.757   6.444  -1.427  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.204  -6.754   0.041  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.834  -1.848  -0.841  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.583  -3.087   0.194  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.536   2.783   0.732  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.710   1.499  -0.489  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.003   2.934   0.927  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.178   1.650  -0.294  1.00  0.00           H  
HETATM   69  H   UNL     1       6.526   5.382   0.651  1.00  0.00           H  
HETATM   70  H   UNL     1       3.990  -6.129   0.510  1.00  0.00           H  
HETATM   71  H   UNL     1       0.754  -2.385  -1.522  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.970  -0.963   0.203  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.642   5.407  -2.736  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.108   5.793  -2.222  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.905   0.874   3.465  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.136   2.284   3.036  1.00  0.00           H  
CONECT    1    3   27   41                                            
CONECT    2    4    5    5                                            
CONECT    3   29    1   34   34                                       
CONECT    4   29   29    2   42                                       
CONECT    5    2    2   34   30                                       
CONECT    6   30    7    7   19                                       
CONECT    7    6    6   28   43                                       
CONECT    8   28   28   18   44                                       
CONECT    9   20   40   45   46                                       
CONECT   10   20   31   47   48                                       
CONECT   11   21   33   22   49                                       
CONECT   12   23   13   50   51                                       
CONECT   13   12   32   52   53                                       
CONECT   14   27   25   25   54                                       
CONECT   15   39   55   56   57                                       
CONECT   16   24   26   26   58                                       
CONECT   17   35   59   60   61                                       
CONECT   18   19   19    8   62                                       
CONECT   19    6   40   18   18                                       
CONECT   20    9   10   63   64                                       
CONECT   21   37   37   31   11                                       
CONECT   22   11   23   65   66                                       
CONECT   23   22   12   67   68                                       
CONECT   24   35   27   27   16                                       
CONECT   25   14   14   26   39                                       
CONECT   26   16   16   25   69                                       
CONECT   27    1   24   24   14                                       
CONECT   28    7    8    8   70                                       
CONECT   29    4    4    3                                            
CONECT   30    5    6   71                                            
CONECT   31   10   21   72                                            
CONECT   32   13   73   74                                            
CONECT   33   11   75   76                                            
CONECT   34    3    3    5                                            
CONECT   35   17   24                                                 
CONECT   36   40   40                                                 
CONECT   37   21   21                                                 
CONECT   38   40   40                                                 
CONECT   39   25   15                                                 
CONECT   40    9   36   36   19                                       
CONECT   40   38   38                                                 
CONECT   41    1                                                      
CONECT   42    4                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   26                                                      
CONECT   70   28                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
