COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.890   1.927   1.817  1.00  0.00           C  
HETATM    2  C   UNL     1       2.810  -0.031   0.183  1.00  0.00           C  
HETATM    3  C   UNL     1       6.395  -0.414  -0.595  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.609   1.032   3.026  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.111   3.365   2.288  1.00  0.00           C  
HETATM    6  C   UNL     1       7.105  -1.733  -0.909  1.00  0.00           C  
HETATM    7  C   UNL     1       8.966   0.048  -0.446  1.00  0.00           C  
HETATM    8  C   UNL     1      10.184  -0.317   0.404  1.00  0.00           C  
HETATM    9  C   UNL     1      11.405   0.459  -0.095  1.00  0.00           C  
HETATM   10  O   UNL     1       2.749  -0.382   1.344  1.00  0.00           O  
HETATM   11  N   UNL     1      -1.964   0.051  -0.194  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.668   0.937  -1.709  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.054  -0.325  -1.098  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.127  -1.085  -0.315  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.544  -2.404   0.198  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.580  -3.165   0.997  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.575  -4.726  -0.398  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.210  -3.344  -0.983  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.719   0.227  -0.678  1.00  0.00           C  
HETATM   20  C   UNL     1       0.429   0.477   0.267  1.00  0.00           C  
HETATM   21  C   UNL     1       0.304   1.881   0.861  1.00  0.00           C  
HETATM   22  C   UNL     1       5.153  -0.475   0.295  1.00  0.00           C  
HETATM   23  C   UNL     1       7.745  -0.728   0.053  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.579  -4.460   0.638  1.00  0.00           N  
HETATM   25  N   UNL     1       1.695   0.365  -0.462  1.00  0.00           N  
HETATM   26  O   UNL     1      -2.699   1.585  -2.535  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.305  -2.677   1.838  1.00  0.00           O  
HETATM   28  O   UNL     1       3.993  -0.037  -0.461  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.521   0.185  -1.874  1.00  0.00           O  
HETATM   30  S   UNL     1      -4.182   2.062  -0.383  1.00  0.00           S  
HETATM   31  H   UNL     1      -1.782   1.571   1.301  1.00  0.00           H  
HETATM   32  H   UNL     1       6.377   0.346  -1.377  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.482   1.020   3.679  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.395   0.019   2.686  1.00  0.00           H  
HETATM   35  H   UNL     1       0.249   1.420   3.574  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.311   4.003   1.426  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.962   3.398   2.969  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.219   3.721   2.803  1.00  0.00           H  
HETATM   39  H   UNL     1       6.687  -2.644  -0.480  1.00  0.00           H  
HETATM   40  H   UNL     1       7.554  -1.840  -1.896  1.00  0.00           H  
HETATM   41  H   UNL     1       8.774   1.118  -0.366  1.00  0.00           H  
HETATM   42  H   UNL     1       9.991  -0.060   1.446  1.00  0.00           H  
HETATM   43  H   UNL     1      11.213   1.529  -0.014  1.00  0.00           H  
HETATM   44  H   UNL     1      12.273   0.199   0.511  1.00  0.00           H  
HETATM   45  H   UNL     1      11.599   0.201  -1.136  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.138   0.173   0.752  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.535   0.664  -2.311  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.665  -0.961  -1.892  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.457  -0.481   0.530  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.975  -1.292  -0.967  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.655  -2.218   0.802  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.995  -5.365  -1.175  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.694  -5.195   0.039  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.826  -3.113  -1.852  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.151  -3.294  -1.234  1.00  0.00           H  
HETATM   56  H   UNL     1       0.405  -0.261   1.069  1.00  0.00           H  
HETATM   57  H   UNL     1       0.154   2.603   0.058  1.00  0.00           H  
HETATM   58  H   UNL     1       1.215   2.127   1.406  1.00  0.00           H  
HETATM   59  H   UNL     1       4.999  -1.499   0.635  1.00  0.00           H  
HETATM   60  H   UNL     1       5.292   0.177   1.158  1.00  0.00           H  
HETATM   61  H   UNL     1       7.748  -0.978   1.113  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.167  -5.133   1.017  1.00  0.00           H  
HETATM   63  H   UNL     1       1.730   0.576  -1.408  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.899   1.856  -2.064  1.00  0.00           H  
HETATM   65  O   UNL     1      -4.769   3.263  -1.111  1.00  0.00           O  
HETATM   66  O   UNL     1      -5.281   1.517   0.336  1.00  0.00           O  
HETATM   67  O   UNL     1      -3.049   2.584   0.297  1.00  0.00           O  
HETATM   68  H   UNL     1       9.159  -0.210  -1.487  1.00  0.00           H  
HETATM   69  H   UNL     1      10.376  -1.387   0.324  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.092   3.960  -0.523  1.00  0.00           H  
CONECT    1    4   21    5   31                                       
CONECT    2   10   10   28   25                                       
CONECT    3    6   23   22   32                                       
CONECT    4    1   33   34   35                                       
CONECT    5    1   36   37   38                                       
CONECT    6   23    3   39   40                                       
CONECT    7   23    8   41   68                                       
CONECT    8    7    9   42   69                                       
CONECT    9    8   43   44   45                                       
CONECT   10    2    2                                                 
CONECT   11   13   19   46                                            
CONECT   12   30   13   26   47                                       
CONECT   13   14   11   12   48                                       
CONECT   14   15   13   49   50                                       
CONECT   15   16   14   18   51                                       
CONECT   16   27   27   24   15                                       
CONECT   17   24   18   52   53                                       
CONECT   18   15   17   54   55                                       
CONECT   19   20   11   29   29                                       
CONECT   20   25   19   21   56                                       
CONECT   21   20    1   57   58                                       
CONECT   22    3   28   59   60                                       
CONECT   23    6    3    7   61                                       
CONECT   24   16   17   62                                            
CONECT   25    2   20   63                                            
CONECT   26   12   64                                                 
CONECT   27   16   16                                                 
CONECT   28   22    2                                                 
CONECT   29   19   19                                                 
CONECT   30   12   65   66   66                                       
CONECT   30   67   67                                                 
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   30   70                                                 
CONECT   66   30   30                                                 
CONECT   67   30   30                                                 
CONECT   68    7                                                      
CONECT   69    8                                                      
CONECT   70   65                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
