COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.516  -5.684  -0.120  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.633  -5.485  -0.712  1.00  0.00           N  
HETATM    3  S   UNL     1      -0.151  -4.423   0.970  1.00  0.00           S  
HETATM    4  C   UNL     1      -2.319  -4.368  -0.401  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.650  -3.597   0.556  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.205  -2.401   1.007  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.416  -1.975   0.509  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.084  -2.735  -0.440  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.556  -3.906  -0.893  1.00  0.00           C  
HETATM   10  S   UNL     1      -4.118  -0.462   1.079  1.00  0.00           S  
HETATM   11  O   UNL     1      -5.517  -0.559   0.851  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.554  -0.215   2.359  1.00  0.00           O  
HETATM   13  N   UNL     1      -3.564   0.740   0.084  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.316   1.098  -1.122  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.270   2.251  -0.805  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.460   3.501  -0.455  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.148   2.537  -2.025  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.323   1.447   0.409  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.152   0.781  -0.317  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.185   3.604  -1.668  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.316   0.936  -1.728  1.00  0.00           O  
HETATM   22  C   UNL     1       0.159   1.439   0.119  1.00  0.00           C  
HETATM   23  N   UNL     1       1.288   0.725  -0.483  1.00  0.00           N  
HETATM   24  C   UNL     1       2.500   0.762   0.105  1.00  0.00           C  
HETATM   25  O   UNL     1       2.656   1.388   1.135  1.00  0.00           O  
HETATM   26  O   UNL     1       3.537   0.106  -0.448  1.00  0.00           O  
HETATM   27  C   UNL     1       4.813   0.190   0.240  1.00  0.00           C  
HETATM   28  C   UNL     1       4.964  -0.976   1.233  1.00  0.00           C  
HETATM   29  O   UNL     1       6.057  -1.787   0.780  1.00  0.00           O  
HETATM   30  C   UNL     1       6.939  -0.951   0.007  1.00  0.00           C  
HETATM   31  O   UNL     1       7.558  -1.750  -1.010  1.00  0.00           O  
HETATM   32  C   UNL     1       6.744  -1.778  -2.187  1.00  0.00           C  
HETATM   33  C   UNL     1       5.501  -0.905  -1.917  1.00  0.00           C  
HETATM   34  C   UNL     1       5.975   0.008  -0.758  1.00  0.00           C  
HETATM   35  C   UNL     1       0.175   2.898  -0.340  1.00  0.00           C  
HETATM   36  C   UNL     1       2.576   3.575  -0.546  1.00  0.00           C  
HETATM   37  C   UNL     1       3.707   4.200  -0.056  1.00  0.00           C  
HETATM   38  C   UNL     1       3.672   4.829   1.174  1.00  0.00           C  
HETATM   39  C   UNL     1       2.504   4.833   1.915  1.00  0.00           C  
HETATM   40  C   UNL     1       1.373   4.208   1.425  1.00  0.00           C  
HETATM   41  C   UNL     1       1.408   3.579   0.194  1.00  0.00           C  
HETATM   42  H   UNL     1       0.116  -6.544  -0.288  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.686  -1.809   1.746  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.034  -2.394  -0.825  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.090  -4.485  -1.632  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.622   1.405  -1.905  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.889   0.235  -1.462  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.901   1.979   0.041  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.741   3.702  -1.249  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.133   4.353  -0.350  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.930   3.340   0.483  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.525   2.895  -2.845  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.657   1.622  -2.328  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.402   2.487   0.093  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.153   1.406   1.485  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.126  -0.280  -0.068  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.810   3.807  -2.537  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.807   3.246  -0.848  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.675   4.519  -1.365  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.347   1.857  -2.021  1.00  0.00           H  
HETATM   61  H   UNL     1       0.242   1.399   1.206  1.00  0.00           H  
HETATM   62  H   UNL     1       1.163   0.226  -1.305  1.00  0.00           H  
HETATM   63  H   UNL     1       4.902   1.144   0.759  1.00  0.00           H  
HETATM   64  H   UNL     1       5.178  -0.589   2.229  1.00  0.00           H  
HETATM   65  H   UNL     1       4.048  -1.567   1.253  1.00  0.00           H  
HETATM   66  H   UNL     1       7.666  -0.426   0.626  1.00  0.00           H  
HETATM   67  H   UNL     1       7.302  -1.375  -3.032  1.00  0.00           H  
HETATM   68  H   UNL     1       6.437  -2.802  -2.400  1.00  0.00           H  
HETATM   69  H   UNL     1       5.246  -0.313  -2.796  1.00  0.00           H  
HETATM   70  H   UNL     1       4.657  -1.520  -1.605  1.00  0.00           H  
HETATM   71  H   UNL     1       6.434   0.944  -1.075  1.00  0.00           H  
HETATM   72  H   UNL     1       0.182   2.936  -1.429  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.713   3.407   0.036  1.00  0.00           H  
HETATM   74  H   UNL     1       2.602   3.088  -1.510  1.00  0.00           H  
HETATM   75  H   UNL     1       4.620   4.196  -0.634  1.00  0.00           H  
HETATM   76  H   UNL     1       4.556   5.316   1.558  1.00  0.00           H  
HETATM   77  H   UNL     1       2.476   5.324   2.876  1.00  0.00           H  
HETATM   78  H   UNL     1       0.461   4.212   2.003  1.00  0.00           H  
CONECT    1    2    2    3   42                                       
CONECT    2    1    1    4                                            
CONECT    3    1    5                                                 
CONECT    4    2    5    5    9                                       
CONECT    5    3    4    4    6                                       
CONECT    6    5    7    7   43                                       
CONECT    7    6    6    8   10                                       
CONECT    8    7    9    9   44                                       
CONECT    9    4    8    8   45                                       
CONECT   10    7   11   11   12                                       
CONECT   10   12   13                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   14   18                                            
CONECT   14   13   15   46   47                                       
CONECT   15   14   16   17   48                                       
CONECT   16   15   49   50   51                                       
CONECT   17   15   20   52   53                                       
CONECT   18   13   19   54   55                                       
CONECT   19   18   21   22   56                                       
CONECT   20   17   57   58   59                                       
CONECT   21   19   60                                                 
CONECT   22   19   23   35   61                                       
CONECT   23   22   24   62                                            
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27                                                 
CONECT   27   26   28   34   63                                       
CONECT   28   27   29   64   65                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   34   66                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   67   68                                       
CONECT   33   32   34   69   70                                       
CONECT   34   27   30   33   71                                       
CONECT   35   22   41   72   73                                       
CONECT   36   37   37   41   74                                       
CONECT   37   36   36   38   75                                       
CONECT   38   37   39   39   76                                       
CONECT   39   38   38   40   77                                       
CONECT   40   39   41   41   78                                       
CONECT   41   35   36   40   40                                       
CONECT   42    1                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   30                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
