COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.993   3.250   2.775  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.354   1.547  -0.752  1.00  0.00           C  
HETATM    3  C   UNL     1       1.328   0.247   0.828  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.097   0.473   0.906  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.378   1.872   1.458  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.617   1.828   2.355  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.315   0.991   3.600  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.210   0.067  -0.025  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.466  -0.764  -0.421  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.977  -2.028  -1.133  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.712   1.226  -0.085  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.489   2.543  -0.301  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.682   2.629  -1.757  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.798   0.310  -1.459  1.00  0.00           C  
HETATM   15  C   UNL     1       3.706   0.086   0.944  1.00  0.00           C  
HETATM   16  C   UNL     1       4.932   0.257   0.044  1.00  0.00           C  
HETATM   17  C   UNL     1       4.844  -0.722  -1.128  1.00  0.00           C  
HETATM   18  C   UNL     1       7.720   0.165  -0.181  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.989  -2.491  -2.029  1.00  0.00           O  
HETATM   20  O   UNL     1       1.310  -0.063   2.003  1.00  0.00           O  
HETATM   21  C   UNL     1       8.156  -0.895  -0.955  1.00  0.00           C  
HETATM   22  C   UNL     1       9.735   0.545  -2.036  1.00  0.00           C  
HETATM   23  C   UNL     1       4.976   1.690  -0.490  1.00  0.00           C  
HETATM   24  C   UNL     1       9.164  -0.704  -1.882  1.00  0.00           C  
HETATM   25  C   UNL     1       9.294   1.606  -1.267  1.00  0.00           C  
HETATM   26  C   UNL     1       8.286   1.416  -0.339  1.00  0.00           C  
HETATM   27  N   UNL     1       0.172   0.482   0.175  1.00  0.00           N  
HETATM   28  N   UNL     1      -3.416  -0.271   0.474  1.00  0.00           N  
HETATM   29  N   UNL     1      -6.884   3.165  -1.484  1.00  0.00           N  
HETATM   30  O   UNL     1      -4.964   2.964  -2.676  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.021   0.045  -1.222  1.00  0.00           O  
HETATM   32  O   UNL     1       2.502   0.354   0.178  1.00  0.00           O  
HETATM   33  O   UNL     1       6.519  -1.468   1.282  1.00  0.00           O  
HETATM   34  S   UNL     1       6.436  -0.078   1.001  1.00  0.00           S  
HETATM   35  H   UNL     1      -3.208   3.846   1.888  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.876   3.218   3.414  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.164   3.699   3.322  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.643   1.914  -0.012  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.036  -0.237   1.731  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.521   2.213   2.039  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.553   2.560   0.631  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.446   1.379   1.808  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.218   0.898   4.203  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.976   0.000   3.298  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.536   1.479   4.185  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.359  -0.997   0.160  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.071  -1.801  -1.694  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.206   0.395  -0.588  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.585   1.016   0.977  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.543   2.335  -0.481  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.377   3.194   0.567  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.543  -0.076  -2.155  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.894   0.578  -2.006  1.00  0.00           H  
HETATM   54  H   UNL     1       3.675  -0.935   1.325  1.00  0.00           H  
HETATM   55  H   UNL     1       3.769   0.784   1.779  1.00  0.00           H  
HETATM   56  H   UNL     1       3.940  -0.521  -1.703  1.00  0.00           H  
HETATM   57  H   UNL     1       5.717  -0.600  -1.770  1.00  0.00           H  
HETATM   58  H   UNL     1       4.813  -1.743  -0.748  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.230  -1.852  -2.714  1.00  0.00           H  
HETATM   60  H   UNL     1       7.711  -1.871  -0.834  1.00  0.00           H  
HETATM   61  H   UNL     1      10.522   0.694  -2.760  1.00  0.00           H  
HETATM   62  H   UNL     1       5.038   2.388   0.345  1.00  0.00           H  
HETATM   63  H   UNL     1       5.849   1.812  -1.132  1.00  0.00           H  
HETATM   64  H   UNL     1       4.072   1.892  -1.065  1.00  0.00           H  
HETATM   65  H   UNL     1       9.506  -1.532  -2.486  1.00  0.00           H  
HETATM   66  H   UNL     1       9.736   2.583  -1.390  1.00  0.00           H  
HETATM   67  H   UNL     1       7.942   2.244   0.262  1.00  0.00           H  
HETATM   68  H   UNL     1       0.181   0.658  -0.779  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.589  -0.187   1.424  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.298   3.873  -2.003  1.00  0.00           H  
HETATM   71  S   UNL     1      -3.622  -3.315   0.095  1.00  0.00           S  
HETATM   72  O   UNL     1      -4.728  -3.486   0.972  1.00  0.00           O  
HETATM   73  O   UNL     1      -2.995  -4.431  -0.520  1.00  0.00           O  
HETATM   74  O   UNL     1      -2.536  -2.711   0.975  1.00  0.00           O  
HETATM   75  H   UNL     1      -2.239  -3.293   1.688  1.00  0.00           H  
CONECT    1    6   35   36   37                                       
CONECT    2   13   14   11   38                                       
CONECT    3   20   20   32   27                                       
CONECT    4   27    8    5   39                                       
CONECT    5    4    6   40   41                                       
CONECT    6    7    5    1   42                                       
CONECT    7    6   43   44   45                                       
CONECT    8    4   28   31   31                                       
CONECT    9   14   28   10   46                                       
CONECT   10    9   19   47   71                                       
CONECT   11    2   12   48   49                                       
CONECT   12   29   11   50   51                                       
CONECT   13   30   30   29    2                                       
CONECT   14    2    9   52   53                                       
CONECT   15   16   32   54   55                                       
CONECT   16   17   23   15   34                                       
CONECT   17   16   56   57   58                                       
CONECT   18   21   34   26   26                                       
CONECT   19   10   59                                                 
CONECT   20    3    3                                                 
CONECT   21   24   24   18   60                                       
CONECT   22   24   25   25   61                                       
CONECT   23   16   62   63   64                                       
CONECT   24   21   21   22   65                                       
CONECT   25   22   22   26   66                                       
CONECT   26   18   18   25   67                                       
CONECT   27    3    4   68                                            
CONECT   28    8    9   69                                            
CONECT   29   13   12   70                                            
CONECT   30   13   13                                                 
CONECT   31    8    8                                                 
CONECT   32   15    3                                                 
CONECT   33   34   34                                                 
CONECT   34   16   18   33   33                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   19                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   10   72   72   73                                       
CONECT   71   73   74                                                 
CONECT   72   71   71                                                 
CONECT   73   71   71                                                 
CONECT   74   71   75                                                 
CONECT   75   74                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
