COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.608   1.628  -1.675  1.00  0.00           O  
HETATM    2  S   UNL     1      -2.551   1.697  -0.614  1.00  0.00           S  
HETATM    3  O   UNL     1      -3.219   2.895  -0.245  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.808   0.521  -0.988  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.097   0.730  -0.553  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.091  -0.200  -0.849  1.00  0.00           C  
HETATM    7  S   UNL     1      -7.807  -0.246  -0.458  1.00  0.00           S  
HETATM    8  C   UNL     1      -7.980  -1.733  -1.277  1.00  0.00           C  
HETATM    9  N   UNL     1      -6.869  -2.125  -1.776  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.786  -1.347  -1.589  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.457  -1.535  -2.021  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.499  -0.613  -1.727  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.767   1.161   0.744  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.164   1.660   2.063  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.738   0.508   2.891  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.081   1.011   4.295  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.004  -0.024   2.217  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.677   0.190   0.625  1.00  0.00           C  
HETATM   19  C   UNL     1       0.662   0.928   0.587  1.00  0.00           C  
HETATM   20  O   UNL     1       0.878   1.588   1.836  1.00  0.00           O  
HETATM   21  C   UNL     1       1.790  -0.075   0.338  1.00  0.00           C  
HETATM   22  C   UNL     1       1.891  -1.035   1.526  1.00  0.00           C  
HETATM   23  C   UNL     1       2.918  -2.097   1.228  1.00  0.00           C  
HETATM   24  C   UNL     1       2.538  -3.269   0.602  1.00  0.00           C  
HETATM   25  C   UNL     1       3.480  -4.243   0.329  1.00  0.00           C  
HETATM   26  C   UNL     1       4.802  -4.045   0.681  1.00  0.00           C  
HETATM   27  C   UNL     1       5.182  -2.872   1.306  1.00  0.00           C  
HETATM   28  C   UNL     1       4.240  -1.896   1.575  1.00  0.00           C  
HETATM   29  N   UNL     1       3.057   0.644   0.183  1.00  0.00           N  
HETATM   30  C   UNL     1       4.066   0.088  -0.517  1.00  0.00           C  
HETATM   31  O   UNL     1       3.924  -1.010  -1.020  1.00  0.00           O  
HETATM   32  C   UNL     1       5.345   0.814  -0.674  1.00  0.00           C  
HETATM   33  C   UNL     1       5.510   2.074  -0.098  1.00  0.00           C  
HETATM   34  C   UNL     1       6.705   2.748  -0.246  1.00  0.00           C  
HETATM   35  C   UNL     1       7.741   2.179  -0.963  1.00  0.00           C  
HETATM   36  C   UNL     1       7.586   0.925  -1.540  1.00  0.00           C  
HETATM   37  O   UNL     1       8.607   0.371  -2.244  1.00  0.00           O  
HETATM   38  C   UNL     1       6.393   0.238  -1.393  1.00  0.00           C  
HETATM   39  H   UNL     1      -5.338   1.615   0.019  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.910  -2.275  -1.364  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.198  -2.414  -2.593  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.487  -0.768  -2.068  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.294   2.075   2.572  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.921   2.435   1.946  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.001  -0.291   2.962  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.819   1.811   4.224  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.490   0.191   4.885  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.179   1.390   4.775  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.705   0.797   2.061  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.745  -0.467   1.255  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.465  -0.779   2.853  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.697  -0.484   1.482  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.802  -0.385  -0.293  1.00  0.00           H  
HETATM   54  H   UNL     1       0.648   1.665  -0.216  1.00  0.00           H  
HETATM   55  H   UNL     1       0.902   0.991   2.597  1.00  0.00           H  
HETATM   56  H   UNL     1       1.580  -0.641  -0.569  1.00  0.00           H  
HETATM   57  H   UNL     1       2.188  -0.481   2.416  1.00  0.00           H  
HETATM   58  H   UNL     1       0.922  -1.504   1.696  1.00  0.00           H  
HETATM   59  H   UNL     1       1.505  -3.424   0.327  1.00  0.00           H  
HETATM   60  H   UNL     1       3.183  -5.160  -0.159  1.00  0.00           H  
HETATM   61  H   UNL     1       5.538  -4.806   0.468  1.00  0.00           H  
HETATM   62  H   UNL     1       6.214  -2.717   1.582  1.00  0.00           H  
HETATM   63  H   UNL     1       4.538  -0.978   2.060  1.00  0.00           H  
HETATM   64  H   UNL     1       3.170   1.520   0.584  1.00  0.00           H  
HETATM   65  H   UNL     1       4.703   2.522   0.463  1.00  0.00           H  
HETATM   66  H   UNL     1       6.832   3.724   0.200  1.00  0.00           H  
HETATM   67  H   UNL     1       8.674   2.711  -1.076  1.00  0.00           H  
HETATM   68  H   UNL     1       9.207  -0.167  -1.709  1.00  0.00           H  
HETATM   69  H   UNL     1       6.272  -0.739  -1.838  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2   13    4                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5    5   12                                       
CONECT    5    4    4    6   39                                       
CONECT    6    5    7   10   10                                       
CONECT    7    6    8                                                 
CONECT    8    7    9    9   40                                       
CONECT    9    8    8   10                                            
CONECT   10    6    6    9   11                                       
CONECT   11   10   12   12   41                                       
CONECT   12    4   11   11   42                                       
CONECT   13    2   18   14                                            
CONECT   14   13   15   43   44                                       
CONECT   15   14   16   17   45                                       
CONECT   16   15   46   47   48                                       
CONECT   17   15   49   50   51                                       
CONECT   18   13   19   52   53                                       
CONECT   19   18   21   20   54                                       
CONECT   20   19   55                                                 
CONECT   21   19   29   22   56                                       
CONECT   22   21   23   57   58                                       
CONECT   23   22   28   28   24                                       
CONECT   24   23   25   25   59                                       
CONECT   25   24   24   26   60                                       
CONECT   26   25   27   27   61                                       
CONECT   27   26   26   28   62                                       
CONECT   28   23   23   27   63                                       
CONECT   29   21   30   64                                            
CONECT   30   29   32   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   30   33   33   38                                       
CONECT   33   32   32   34   65                                       
CONECT   34   33   35   35   66                                       
CONECT   35   34   34   36   67                                       
CONECT   36   35   37   38   38                                       
CONECT   37   36   68                                                 
CONECT   38   32   36   36   69                                       
CONECT   39    5                                                      
CONECT   40    8                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
