COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -9.330   0.567   2.163  1.00  0.00           O  
HETATM    2  C   UNL     1      -8.835  -0.057   1.248  1.00  0.00           C  
HETATM    3  N   UNL     1      -7.533  -0.377   1.149  1.00  0.00           N  
HETATM    4  C   UNL     1      -7.264  -1.144  -0.073  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.491  -0.914  -0.982  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.595  -0.594   0.055  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.996  -0.625  -0.754  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.846  -0.902   0.088  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.643  -0.507  -0.371  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.557   0.054  -1.445  1.00  0.00           O  
HETATM   11  N   UNL     1      -2.535  -0.733   0.362  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.227  -0.303  -0.136  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.996   1.163   0.236  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.000   2.028  -0.481  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.217   2.310   0.110  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.138   3.102  -0.548  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.842   3.614  -1.798  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.625   3.332  -2.390  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.701   2.544  -1.729  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.132  -1.168   0.492  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.094  -0.937   1.902  1.00  0.00           O  
HETATM   22  C   UNL     1       1.221  -0.803  -0.121  1.00  0.00           C  
HETATM   23  N   UNL     1       2.251  -1.710   0.392  1.00  0.00           N  
HETATM   24  C   UNL     1       2.469  -3.009  -0.250  1.00  0.00           C  
HETATM   25  C   UNL     1       3.023  -2.794  -1.659  1.00  0.00           C  
HETATM   26  C   UNL     1       4.401  -2.136  -1.571  1.00  0.00           C  
HETATM   27  C   UNL     1       3.147  -4.144  -2.369  1.00  0.00           C  
HETATM   28  C   UNL     1       3.582  -3.920  -3.819  1.00  0.00           C  
HETATM   29  S   UNL     1       3.168  -1.267   1.698  1.00  0.00           S  
HETATM   30  O   UNL     1       2.358  -0.405   2.484  1.00  0.00           O  
HETATM   31  O   UNL     1       3.751  -2.461   2.202  1.00  0.00           O  
HETATM   32  C   UNL     1       4.498  -0.283   1.091  1.00  0.00           C  
HETATM   33  C   UNL     1       5.730  -0.867   0.831  1.00  0.00           C  
HETATM   34  C   UNL     1       6.769  -0.122   0.362  1.00  0.00           C  
HETATM   35  C   UNL     1       4.312   1.063   0.870  1.00  0.00           C  
HETATM   36  C   UNL     1       5.364   1.841   0.390  1.00  0.00           C  
HETATM   37  S   UNL     1       5.471   3.555   0.002  1.00  0.00           S  
HETATM   38  C   UNL     1       7.105   3.374  -0.457  1.00  0.00           C  
HETATM   39  N   UNL     1       7.498   2.163  -0.326  1.00  0.00           N  
HETATM   40  C   UNL     1       6.610   1.260   0.131  1.00  0.00           C  
HETATM   41  H   UNL     1      -6.859  -0.132   1.802  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.159  -2.203   0.162  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.327  -0.072  -1.655  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.736  -1.817  -1.542  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.143  -1.498   0.321  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.274   0.165  -0.333  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.871  -1.124  -1.716  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.081   0.450  -0.911  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.604  -1.181   1.220  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.197  -0.411  -1.221  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.113   1.287   1.313  1.00  0.00           H  
HETATM   52  H   UNL     1       0.012   1.457  -0.056  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.448   1.910   1.086  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.089   3.323  -0.086  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.564   4.229  -2.315  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.394   3.731  -3.366  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.750   2.324  -2.191  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.345  -2.219   0.302  1.00  0.00           H  
HETATM   59  H   UNL     1       0.092  -0.020   2.146  1.00  0.00           H  
HETATM   60  H   UNL     1       1.165  -0.893  -1.206  1.00  0.00           H  
HETATM   61  H   UNL     1       1.476   0.223   0.145  1.00  0.00           H  
HETATM   62  H   UNL     1       3.181  -3.589   0.337  1.00  0.00           H  
HETATM   63  H   UNL     1       1.523  -3.548  -0.309  1.00  0.00           H  
HETATM   64  H   UNL     1       2.348  -2.149  -2.221  1.00  0.00           H  
HETATM   65  H   UNL     1       4.845  -2.086  -2.565  1.00  0.00           H  
HETATM   66  H   UNL     1       4.297  -1.128  -1.168  1.00  0.00           H  
HETATM   67  H   UNL     1       5.043  -2.724  -0.916  1.00  0.00           H  
HETATM   68  H   UNL     1       3.889  -4.757  -1.857  1.00  0.00           H  
HETATM   69  H   UNL     1       2.183  -4.653  -2.354  1.00  0.00           H  
HETATM   70  H   UNL     1       4.546  -3.411  -3.834  1.00  0.00           H  
HETATM   71  H   UNL     1       3.671  -4.881  -4.324  1.00  0.00           H  
HETATM   72  H   UNL     1       2.840  -3.307  -4.330  1.00  0.00           H  
HETATM   73  H   UNL     1       5.867  -1.924   1.004  1.00  0.00           H  
HETATM   74  H   UNL     1       7.721  -0.592   0.165  1.00  0.00           H  
HETATM   75  H   UNL     1       3.352   1.515   1.068  1.00  0.00           H  
HETATM   76  H   UNL     1       7.729   4.180  -0.814  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    6    1    1                                       
CONECT    3    4    2   41                                            
CONECT    4    5    3    7   42                                       
CONECT    5    4    6   43   44                                       
CONECT    6    5    2   45   46                                       
CONECT    7    4    8   47   48                                       
CONECT    8    7    9                                                 
CONECT    9   10   10    8   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   49                                            
CONECT   12   11   13   20   50                                       
CONECT   13   14   12   51   52                                       
CONECT   14   19   19   15   13                                       
CONECT   15   16   16   14   53                                       
CONECT   16   17   15   15   54                                       
CONECT   17   18   18   16   55                                       
CONECT   18   17   17   19   56                                       
CONECT   19   18   14   14   57                                       
CONECT   20   12   22   21   58                                       
CONECT   21   20   59                                                 
CONECT   22   23   20   60   61                                       
CONECT   23   29   24   22                                            
CONECT   24   23   25   62   63                                       
CONECT   25   26   24   27   64                                       
CONECT   26   25   65   66   67                                       
CONECT   27   25   28   68   69                                       
CONECT   28   27   70   71   72                                       
CONECT   29   31   31   30   30                                       
CONECT   29   23   32                                                 
CONECT   30   29   29                                                 
CONECT   31   29   29                                                 
CONECT   32   29   35   35   33                                       
CONECT   33   32   34   34   73                                       
CONECT   34   33   33   40   74                                       
CONECT   35   32   32   36   75                                       
CONECT   36   35   37   40   40                                       
CONECT   37   36   38                                                 
CONECT   38   37   39   39   76                                       
CONECT   39   40   38   38                                            
CONECT   40   36   36   34   39                                       
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   38                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
