COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.872  -1.126   0.142  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.482  -1.350  -0.444  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.637  -2.743  -1.059  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.679  -2.693  -2.179  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.150  -1.835  -3.329  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.952  -4.111  -2.684  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.767  -0.956   0.238  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.996   0.027   0.189  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.615   1.162  -0.630  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.633   2.333  -0.704  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.219   3.465  -1.518  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.288   4.450   0.368  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.416   2.946   0.698  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.003  -1.117   0.319  1.00  0.00           C  
HETATM   15  C   UNL     1       4.196  -0.780   0.560  1.00  0.00           C  
HETATM   16  C   UNL     1       5.222  -1.425   1.494  1.00  0.00           C  
HETATM   17  C   UNL     1       6.633  -1.148   0.971  1.00  0.00           C  
HETATM   18  C   UNL     1       6.871   0.362   0.918  1.00  0.00           C  
HETATM   19  C   UNL     1       8.260   0.634   0.403  1.00  0.00           C  
HETATM   20  C   UNL     1       8.628   0.199  -0.857  1.00  0.00           C  
HETATM   21  C   UNL     1       9.903   0.448  -1.329  1.00  0.00           C  
HETATM   22  C   UNL     1      10.810   1.133  -0.542  1.00  0.00           C  
HETATM   23  C   UNL     1      10.442   1.570   0.716  1.00  0.00           C  
HETATM   24  C   UNL     1       9.165   1.325   1.187  1.00  0.00           C  
HETATM   25  C   UNL     1       5.845   1.007  -0.017  1.00  0.00           C  
HETATM   26  C   UNL     1       4.434   0.731   0.506  1.00  0.00           C  
HETATM   27  N   UNL     1       0.606  -1.367   0.536  1.00  0.00           N  
HETATM   28  N   UNL     1      -2.789  -0.459  -0.486  1.00  0.00           N  
HETATM   29  N   UNL     1      -4.016   4.637  -0.892  1.00  0.00           N  
HETATM   30  O   UNL     1       2.124  -0.979  -1.038  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.789   3.334  -2.580  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.383  -2.225   0.975  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.881  -1.087   1.438  1.00  0.00           O  
HETATM   34  O   UNL     1       2.857  -1.042   1.056  1.00  0.00           O  
HETATM   35  H   UNL     1      -0.252  -0.630  -1.230  1.00  0.00           H  
HETATM   36  H   UNL     1       0.320  -3.068  -1.467  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.962  -3.444  -0.291  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.602  -2.259  -1.796  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.263  -2.304  -3.755  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.917  -1.744  -4.098  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.892  -0.844  -2.955  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.329  -4.722  -1.864  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.694  -4.075  -3.482  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.029  -4.545  -3.066  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.734   0.396   1.181  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.833   0.806  -1.637  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.538   1.492  -0.153  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.683   2.007  -1.129  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.740   5.050   1.158  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.239   4.721   0.243  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.275   2.760   1.343  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.500   2.568   1.153  1.00  0.00           H  
HETATM   53  S   UNL     1      -6.429  -0.558   1.292  1.00  0.00           S  
HETATM   54  H   UNL     1      -5.337  -1.421  -0.673  1.00  0.00           H  
HETATM   55  H   UNL     1       4.302  -1.200  -0.441  1.00  0.00           H  
HETATM   56  H   UNL     1       5.117  -1.005   2.494  1.00  0.00           H  
HETATM   57  H   UNL     1       5.053  -2.501   1.532  1.00  0.00           H  
HETATM   58  H   UNL     1       7.364  -1.608   1.637  1.00  0.00           H  
HETATM   59  H   UNL     1       6.739  -1.568  -0.029  1.00  0.00           H  
HETATM   60  H   UNL     1       6.765   0.782   1.918  1.00  0.00           H  
HETATM   61  H   UNL     1       7.920  -0.337  -1.471  1.00  0.00           H  
HETATM   62  H   UNL     1      10.191   0.107  -2.312  1.00  0.00           H  
HETATM   63  H   UNL     1      11.807   1.327  -0.911  1.00  0.00           H  
HETATM   64  H   UNL     1      11.150   2.105   1.331  1.00  0.00           H  
HETATM   65  H   UNL     1       8.876   1.669   2.169  1.00  0.00           H  
HETATM   66  H   UNL     1       6.014   2.083  -0.055  1.00  0.00           H  
HETATM   67  H   UNL     1       5.950   0.587  -1.017  1.00  0.00           H  
HETATM   68  H   UNL     1       3.703   1.190  -0.159  1.00  0.00           H  
HETATM   69  H   UNL     1       4.328   1.151   1.507  1.00  0.00           H  
HETATM   70  H   UNL     1       0.416  -1.553   1.469  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.726  -0.423  -1.453  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.314   5.497  -1.230  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.612  -2.576   0.509  1.00  0.00           H  
HETATM   74  O   UNL     1      -7.403  -1.589   1.385  1.00  0.00           O  
HETATM   75  O   UNL     1      -5.998   0.149   2.447  1.00  0.00           O  
HETATM   76  O   UNL     1      -7.088   0.504   0.425  1.00  0.00           O  
HETATM   77  H   UNL     1      -7.877   0.901   0.820  1.00  0.00           H  
CONECT    1   30   30   27   34                                       
CONECT    2    7    3   27   35                                       
CONECT    3    2    4   36   37                                       
CONECT    4    6    3    5   38                                       
CONECT    5    4   39   40   41                                       
CONECT    6    4   42   43   44                                       
CONECT    7   28    2   33   33                                       
CONECT    8    9   14   28   45                                       
CONECT    9   10    8   46   47                                       
CONECT   10   11    9   13   48                                       
CONECT   11   31   31   29   10                                       
CONECT   12   29   13   49   50                                       
CONECT   13   10   12   51   52                                       
CONECT   14   32    8   53   54                                       
CONECT   15   16   34   26   55                                       
CONECT   16   17   15   56   57                                       
CONECT   17   16   18   58   59                                       
CONECT   18   17   25   19   60                                       
CONECT   19   20   18   24   24                                       
CONECT   20   21   21   19   61                                       
CONECT   21   20   20   22   62                                       
CONECT   22   21   23   23   63                                       
CONECT   23   22   22   24   64                                       
CONECT   24   19   19   23   65                                       
CONECT   25   26   18   66   67                                       
CONECT   26   15   25   68   69                                       
CONECT   27    2    1   70                                            
CONECT   28    8    7   71                                            
CONECT   29   11   12   72                                            
CONECT   30    1    1                                                 
CONECT   31   11   11                                                 
CONECT   32   14   73                                                 
CONECT   33    7    7                                                 
CONECT   34    1   15                                                 
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14   74   74   75                                       
CONECT   53   75   76                                                 
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   32                                                      
CONECT   74   53   53                                                 
CONECT   75   53   53                                                 
CONECT   76   53   77                                                 
CONECT   77   76                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
