COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.314   1.262  -2.548  1.00  0.00           C  
HETATM    2  C   UNL     1       3.775   1.903  -1.296  1.00  0.00           C  
HETATM    3  C   UNL     1       2.870   2.937  -1.388  1.00  0.00           C  
HETATM    4  C   UNL     1       2.370   3.532  -0.224  1.00  0.00           C  
HETATM    5  C   UNL     1       1.403   4.636  -0.316  1.00  0.00           C  
HETATM    6  C   UNL     1       0.923   5.208   0.808  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.019   6.283   0.718  1.00  0.00           C  
HETATM    8  C   UNL     1       2.793   3.072   1.029  1.00  0.00           C  
HETATM    9  C   UNL     1       3.698   2.038   1.110  1.00  0.00           C  
HETATM   10  C   UNL     1       4.154   1.541   2.458  1.00  0.00           C  
HETATM   11  C   UNL     1       4.187   1.446  -0.049  1.00  0.00           C  
HETATM   12  C   UNL     1       4.596  -0.838   0.097  1.00  0.00           C  
HETATM   13  C   UNL     1       2.810  -2.296   0.138  1.00  0.00           C  
HETATM   14  C   UNL     1       0.542  -1.326   0.028  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.821  -1.686   0.627  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.769  -0.494   0.479  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.923   0.894  -1.134  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.279   0.364  -0.747  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.074  -0.258  -1.691  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.318  -0.744  -1.336  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.767  -0.610  -0.036  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.972   0.011   0.909  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.726   0.494   0.555  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.626   0.239  -1.528  1.00  0.00           C  
HETATM   25  C   UNL     1       0.356  -0.931  -1.440  1.00  0.00           C  
HETATM   26  C   UNL     1       4.938  -3.221   0.247  1.00  0.00           C  
HETATM   27  C   UNL     1       5.932  -4.209   0.333  1.00  0.00           C  
HETATM   28  C   UNL     1       7.181  -3.770   0.342  1.00  0.00           C  
HETATM   29  C   UNL     1       5.471  -1.931   0.186  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.766   7.136   0.646  1.00  0.00           N  
HETATM   31  N   UNL     1       3.289  -1.060   0.078  1.00  0.00           N  
HETATM   32  N   UNL     1       1.436  -2.483   0.116  1.00  0.00           N  
HETATM   33  N   UNL     1      -1.913  -0.156  -0.943  1.00  0.00           N  
HETATM   34  N   UNL     1      -8.144  -2.796   0.912  1.00  0.00           N  
HETATM   35  N   UNL     1       3.592  -3.351   0.217  1.00  0.00           N  
HETATM   36  O   UNL     1       5.079   0.426   0.036  1.00  0.00           O  
HETATM   37  O   UNL     1      -8.757  -0.497   1.566  1.00  0.00           O  
HETATM   38  O   UNL     1      -9.119  -1.285  -0.778  1.00  0.00           O  
HETATM   39  S   UNL     1      -8.353  -1.230   0.417  1.00  0.00           S  
HETATM   40  S   UNL     1       7.226  -2.018   0.240  1.00  0.00           S  
HETATM   41  H   UNL     1       5.218   1.783  -2.863  1.00  0.00           H  
HETATM   42  H   UNL     1       4.548   0.216  -2.349  1.00  0.00           H  
HETATM   43  H   UNL     1       3.565   1.322  -3.338  1.00  0.00           H  
HETATM   44  H   UNL     1       2.547   3.289  -2.356  1.00  0.00           H  
HETATM   45  H   UNL     1       1.078   4.990  -1.283  1.00  0.00           H  
HETATM   46  H   UNL     1       1.248   4.855   1.775  1.00  0.00           H  
HETATM   47  H   UNL     1       2.410   3.528   1.930  1.00  0.00           H  
HETATM   48  H   UNL     1       3.490   0.745   2.795  1.00  0.00           H  
HETATM   49  H   UNL     1       5.171   1.157   2.378  1.00  0.00           H  
HETATM   50  H   UNL     1       4.131   2.362   3.174  1.00  0.00           H  
HETATM   51  H   UNL     1       0.972  -0.490   0.578  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.234  -2.547   0.101  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.701  -1.927   1.683  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.744  -0.752   0.891  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.362   0.363   1.016  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.937   1.198  -2.181  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.677   1.753  -0.510  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.723  -0.363  -2.707  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.939  -1.229  -2.074  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.323   0.117   1.925  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.103   0.975   1.294  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.225   1.092  -0.981  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.771   0.514  -2.573  1.00  0.00           H  
HETATM   64  H   UNL     1       1.317  -0.632  -1.860  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.038  -1.780  -1.998  1.00  0.00           H  
HETATM   66  H   UNL     1       5.693  -5.260   0.388  1.00  0.00           H  
HETATM   67  H   UNL     1       8.054  -4.403   0.403  1.00  0.00           H  
HETATM   68  H   UNL     1       1.068  -3.379   0.158  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.736  -3.177   1.579  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.430  -3.333   0.535  1.00  0.00           H  
CONECT    1    2   41   42   43                                       
CONECT    2   11    1    3    3                                       
CONECT    3    2    2    4   44                                       
CONECT    4    8    8    3    5                                       
CONECT    5    4    6    6   45                                       
CONECT    6    5    5    7   46                                       
CONECT    7    6   30   30   30                                       
CONECT    8    9    4    4   47                                       
CONECT    9   10   11   11    8                                       
CONECT   10    9   48   49   50                                       
CONECT   11   36    9    9    2                                       
CONECT   12   31   31   29   36                                       
CONECT   13   32   35   35   31                                       
CONECT   14   25   32   15   51                                       
CONECT   15   14   16   52   53                                       
CONECT   16   33   15   54   55                                       
CONECT   17   33   18   56   57                                       
CONECT   18   19   17   23   23                                       
CONECT   19   20   20   18   58                                       
CONECT   20   19   19   21   59                                       
CONECT   21   20   39   22   22                                       
CONECT   22   21   21   23   60                                       
CONECT   23   18   18   22   61                                       
CONECT   24   25   33   62   63                                       
CONECT   25   24   14   64   65                                       
CONECT   26   35   27   29   29                                       
CONECT   27   26   28   28   66                                       
CONECT   28   27   27   40   67                                       
CONECT   29   26   26   12   40                                       
CONECT   30    7    7    7                                            
CONECT   31   13   12   12                                            
CONECT   32   14   13   68                                            
CONECT   33   24   17   16                                            
CONECT   34   39   69   70                                            
CONECT   35   13   13   26                                            
CONECT   36   12   11                                                 
CONECT   37   39   39                                                 
CONECT   38   39   39                                                 
CONECT   39   34   21   37   37                                       
CONECT   39   38   38                                                 
CONECT   40   28   29                                                 
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   32                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
