COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.390  -2.503  -0.592  1.00  0.00           C  
HETATM    2  N   UNL     1       4.115  -3.033  -0.102  1.00  0.00           N  
HETATM    3  N   UNL     1       3.966  -4.068   0.648  1.00  0.00           N  
HETATM    4  C   UNL     1       2.891  -2.513  -0.354  1.00  0.00           C  
HETATM    5  C   UNL     1       2.004  -3.308   0.288  1.00  0.00           C  
HETATM    6  N   UNL     1       2.719  -4.260   0.897  1.00  0.00           N  
HETATM    7  C   UNL     1       0.505  -3.151   0.313  1.00  0.00           C  
HETATM    8  O   UNL     1       0.133  -2.009  -0.461  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.193  -1.724  -0.542  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.625  -0.630  -1.277  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.974  -0.343  -1.358  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.118  -2.531   0.106  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.466  -2.240   0.022  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.893  -1.145  -0.707  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.364  -0.830  -0.797  1.00  0.00           C  
HETATM   16  S   UNL     1      -5.830   0.276   0.564  1.00  0.00           S  
HETATM   17  C   UNL     1      -7.604   0.536   0.289  1.00  0.00           C  
HETATM   18  O   UNL     1      -7.798   1.235  -0.942  1.00  0.00           O  
HETATM   19  C   UNL     1      -9.169   1.471  -1.270  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.908   0.135  -1.363  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.811   2.335  -0.181  1.00  0.00           C  
HETATM   22  O   UNL     1     -11.196   2.525  -0.477  1.00  0.00           O  
HETATM   23  C   UNL     1      -9.668   1.629   1.171  1.00  0.00           C  
HETATM   24  O   UNL     1     -10.378   0.389   1.140  1.00  0.00           O  
HETATM   25  C   UNL     1      -8.183   1.362   1.440  1.00  0.00           C  
HETATM   26  O   UNL     1      -7.484   2.605   1.535  1.00  0.00           O  
HETATM   27  H   UNL     1       5.849  -3.228  -1.264  1.00  0.00           H  
HETATM   28  H   UNL     1       5.214  -1.571  -1.129  1.00  0.00           H  
HETATM   29  H   UNL     1       2.667  -1.640  -0.949  1.00  0.00           H  
HETATM   30  H   UNL     1       0.039  -4.043  -0.107  1.00  0.00           H  
HETATM   31  H   UNL     1       0.171  -3.017   1.342  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.908  -0.003  -1.785  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.311   0.509  -1.930  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.785  -3.386   0.675  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.186  -2.867   0.525  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.574  -0.342  -1.749  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.939  -1.753  -0.728  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.110  -0.428   0.242  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.230   1.988  -2.227  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.711  -0.453  -0.467  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.979   0.318  -1.449  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.561  -0.412  -2.240  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.311   3.303  -0.141  1.00  0.00           H  
HETATM   44  H   UNL     1     -11.361   2.964  -1.323  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.073   2.264   1.959  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.324  -0.115   1.964  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.076   0.811   2.374  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.537   2.511   1.705  1.00  0.00           H  
HETATM   49  C   UNL     1       6.323  -2.242   0.591  1.00  0.00           C  
HETATM   50  O   UNL     1       7.566  -1.726   0.113  1.00  0.00           O  
HETATM   51  C   UNL     1       8.515  -1.446   1.144  1.00  0.00           C  
HETATM   52  C   UNL     1       9.801  -0.901   0.520  1.00  0.00           C  
HETATM   53  O   UNL     1       9.534   0.358  -0.100  1.00  0.00           O  
HETATM   54  C   UNL     1      10.275   2.293  -1.345  1.00  0.00           C  
HETATM   55  C   UNL     1      10.676   0.956  -0.717  1.00  0.00           C  
HETATM   56  O   UNL     1       9.880   3.203  -0.316  1.00  0.00           O  
HETATM   57  C   UNL     1       9.484   4.489  -0.798  1.00  0.00           C  
HETATM   58  C   UNL     1       9.085   5.376   0.383  1.00  0.00           C  
HETATM   59  O   UNL     1      10.229   5.616   1.206  1.00  0.00           O  
HETATM   60  H   UNL     1       5.863  -1.517   1.263  1.00  0.00           H  
HETATM   61  H   UNL     1       6.498  -3.174   1.128  1.00  0.00           H  
HETATM   62  H   UNL     1       8.100  -0.704   1.827  1.00  0.00           H  
HETATM   63  H   UNL     1       8.736  -2.361   1.693  1.00  0.00           H  
HETATM   64  H   UNL     1      10.555  -0.771   1.296  1.00  0.00           H  
HETATM   65  H   UNL     1      10.168  -1.604  -0.228  1.00  0.00           H  
HETATM   66  H   UNL     1      11.123   2.706  -1.891  1.00  0.00           H  
HETATM   67  H   UNL     1       9.442   2.136  -2.031  1.00  0.00           H  
HETATM   68  H   UNL     1      11.448   1.125   0.034  1.00  0.00           H  
HETATM   69  H   UNL     1      11.060   0.292  -1.491  1.00  0.00           H  
HETATM   70  H   UNL     1      10.316   4.948  -1.333  1.00  0.00           H  
HETATM   71  H   UNL     1       8.635   4.378  -1.473  1.00  0.00           H  
HETATM   72  H   UNL     1       8.700   6.325   0.010  1.00  0.00           H  
HETATM   73  H   UNL     1       8.315   4.875   0.969  1.00  0.00           H  
HETATM   74  H   UNL     1      10.049   6.173   1.975  1.00  0.00           H  
CONECT    1    2   27   28   49                                       
CONECT    2    4    3    1                                            
CONECT    3    6    6    2                                            
CONECT    4    5    5    2   29                                       
CONECT    5    7    6    4    4                                       
CONECT    6    5    3    3                                            
CONECT    7    8    5   30   31                                       
CONECT    8    9    7                                                 
CONECT    9   12   12   10    8                                       
CONECT   10   11   11    9   32                                       
CONECT   11   14   10   10   33                                       
CONECT   12   13    9    9   34                                       
CONECT   13   14   14   12   35                                       
CONECT   14   15   13   13   11                                       
CONECT   15   16   14   36   37                                       
CONECT   16   17   15                                                 
CONECT   17   25   16   18   38                                       
CONECT   18   17   19                                                 
CONECT   19   21   18   20   39                                       
CONECT   20   19   40   41   42                                       
CONECT   21   23   22   19   43                                       
CONECT   22   21   44                                                 
CONECT   23   24   25   21   45                                       
CONECT   24   23   46                                                 
CONECT   25   26   23   17   47                                       
CONECT   26   25   48                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49    1   50   60   61                                       
CONECT   50   49   51                                                 
CONECT   51   50   52   62   63                                       
CONECT   52   51   53   64   65                                       
CONECT   53   52   55                                                 
CONECT   54   55   56   66   67                                       
CONECT   55   54   53   68   69                                       
CONECT   56   54   57                                                 
CONECT   57   56   58   70   71                                       
CONECT   58   57   59   72   73                                       
CONECT   59   58   74                                                 
CONECT   60   49                                                      
CONECT   61   49                                                      
CONECT   62   51                                                      
CONECT   63   51                                                      
CONECT   64   52                                                      
CONECT   65   52                                                      
CONECT   66   54                                                      
CONECT   67   54                                                      
CONECT   68   55                                                      
CONECT   69   55                                                      
CONECT   70   57                                                      
CONECT   71   57                                                      
CONECT   72   58                                                      
CONECT   73   58                                                      
CONECT   74   59                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
