COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.868  -3.177   1.332  1.00  0.00           C  
HETATM    2  C   UNL     1       9.025  -3.146   0.055  1.00  0.00           C  
HETATM    3  C   UNL     1       9.948  -3.132  -1.165  1.00  0.00           C  
HETATM    4  C   UNL     1       8.131  -4.387   0.004  1.00  0.00           C  
HETATM    5  C   UNL     1       8.765  -0.724   0.091  1.00  0.00           C  
HETATM    6  C   UNL     1       7.920   0.494   0.087  1.00  0.00           C  
HETATM    7  C   UNL     1       7.680   2.882   0.123  1.00  0.00           C  
HETATM    8  C   UNL     1       4.344   1.499  -0.009  1.00  0.00           C  
HETATM    9  C   UNL     1       3.173   1.437  -0.047  1.00  0.00           C  
HETATM   10  C   UNL     1       1.743   1.361  -0.094  1.00  0.00           C  
HETATM   11  C   UNL     1       1.129   0.102  -0.132  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.258   0.080  -0.176  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.129  -0.936  -0.219  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.394  -0.494  -0.255  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.999   1.290  -0.182  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.371   2.535  -0.145  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.208   0.915   0.595  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.213  -0.477   0.573  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.576  -0.959  -1.616  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.050  -1.178   0.277  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.874  -0.501   0.003  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.651  -1.315  -0.320  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.797  -1.890  -1.730  1.00  0.00           C  
HETATM   24  N   UNL     1       8.190  -1.942   0.051  1.00  0.00           N  
HETATM   25  O   UNL     1       9.975  -0.624   0.132  1.00  0.00           O  
HETATM   26  C   UNL     1       6.529   0.400   0.041  1.00  0.00           C  
HETATM   27  C   UNL     1       5.774   1.575   0.038  1.00  0.00           C  
HETATM   28  N   UNL     1       6.369   2.762   0.079  1.00  0.00           N  
HETATM   29  C   UNL     1       8.297   4.256   0.168  1.00  0.00           C  
HETATM   30  C   UNL     1       8.498   1.768   0.134  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.389   0.879  -0.229  1.00  0.00           C  
HETATM   32  C   UNL     1       0.999   2.545  -0.096  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.636   1.658  -0.240  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.649   2.855  -0.461  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.879   0.894   0.035  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.053   1.594   0.328  1.00  0.00           C  
HETATM   37  N   UNL     1      -8.387  -1.169   0.848  1.00  0.00           N  
HETATM   38  S   UNL     1      -9.814  -0.686   0.161  1.00  0.00           S  
HETATM   39  O   UNL     1      -9.887   0.704   0.447  1.00  0.00           O  
HETATM   40  O   UNL     1     -10.778  -1.592   0.680  1.00  0.00           O  
HETATM   41  C   UNL     1      -3.544  -2.469   0.678  1.00  0.00           C  
HETATM   42  H   UNL     1      10.505  -2.294   1.368  1.00  0.00           H  
HETATM   43  H   UNL     1       9.210  -3.188   2.201  1.00  0.00           H  
HETATM   44  H   UNL     1      10.489  -4.073   1.335  1.00  0.00           H  
HETATM   45  H   UNL     1      10.569  -4.028  -1.162  1.00  0.00           H  
HETATM   46  H   UNL     1       9.347  -3.109  -2.074  1.00  0.00           H  
HETATM   47  H   UNL     1      10.584  -2.248  -1.128  1.00  0.00           H  
HETATM   48  H   UNL     1       7.474  -4.397   0.873  1.00  0.00           H  
HETATM   49  H   UNL     1       7.530  -4.365  -0.905  1.00  0.00           H  
HETATM   50  H   UNL     1       8.752  -5.283   0.007  1.00  0.00           H  
HETATM   51  H   UNL     1       1.708  -0.809  -0.126  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.940   3.453  -0.152  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.114   1.457   0.822  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.374  -2.015  -1.798  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.478  -0.664  -2.153  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.733  -0.363  -1.966  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.064  -2.257   0.261  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.935  -2.518  -1.958  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.707  -2.487  -1.787  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.853  -1.074  -2.451  1.00  0.00           H  
HETATM   61  H   UNL     1       7.224  -2.022   0.018  1.00  0.00           H  
HETATM   62  H   UNL     1       6.045  -0.565   0.007  1.00  0.00           H  
HETATM   63  H   UNL     1       8.413   4.569   1.206  1.00  0.00           H  
HETATM   64  H   UNL     1       9.274   4.231  -0.315  1.00  0.00           H  
HETATM   65  H   UNL     1       7.651   4.962  -0.354  1.00  0.00           H  
HETATM   66  H   UNL     1       9.571   1.880   0.175  1.00  0.00           H  
HETATM   67  H   UNL     1       1.518   3.492  -0.061  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.047   2.674   0.345  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.370  -1.936   1.442  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.418  -2.069   1.684  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.452  -3.071   0.638  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.685  -3.091   0.424  1.00  0.00           H  
CONECT    1    2   42   43   44                                       
CONECT    2    1    4    3   24                                       
CONECT    3    2   45   46   47                                       
CONECT    4    2   48   49   50                                       
CONECT    5   24   25   25    6                                       
CONECT    6    5   30   30   26                                       
CONECT    7   30   29   28   28                                       
CONECT    8   27    9    9    9                                       
CONECT    9    8    8    8   10                                       
CONECT   10    9   32   32   11                                       
CONECT   11   10   12   12   51                                       
CONECT   12   11   11   15   13                                       
CONECT   13   12   14                                                 
CONECT   14   13   31   31   22                                       
CONECT   15   16   16   12   31                                       
CONECT   16   32   15   15   52                                       
CONECT   17   36   36   18   53                                       
CONECT   18   20   20   17   37                                       
CONECT   19   38   54   55   56                                       
CONECT   20   21   18   18   57                                       
CONECT   21   22   35   35   20                                       
CONECT   22   14   23   41   21                                       
CONECT   23   22   58   59   60                                       
CONECT   24    2    5   61                                            
CONECT   25    5    5                                                 
CONECT   26    6   27   27   62                                       
CONECT   27   26   26   28    8                                       
CONECT   28    7    7   27                                            
CONECT   29    7   63   64   65                                       
CONECT   30    6    6    7   66                                       
CONECT   31   15   14   14   33                                       
CONECT   32   10   10   16   67                                       
CONECT   33   31   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   21   21   36                                       
CONECT   36   35   17   17   68                                       
CONECT   37   18   38   69                                            
CONECT   38   37   19   40   40                                       
CONECT   38   39   39                                                 
CONECT   39   38   38                                                 
CONECT   40   38   38                                                 
CONECT   41   22   70   71   72                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51   11                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   26                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   32                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   41                                                      
CONECT   71   41                                                      
CONECT   72   41                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
