COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.286   1.929   0.086  1.00  0.00           C  
HETATM    2  S   UNL     1      -2.277   1.362   1.483  1.00  0.00           S  
HETATM    3  C   UNL     1      -2.986   3.379  -0.194  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.649   4.370   0.505  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.371   5.700   0.251  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.436   6.039  -0.709  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.776   5.048  -1.412  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.051   3.718  -1.155  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.741   1.933   2.698  1.00  0.00           O  
HETATM   10  O   UNL     1      -0.897   1.384   1.142  1.00  0.00           O  
HETATM   11  N   UNL     1      -2.636  -0.248   1.625  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.269  -1.178   0.554  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.933  -1.803   0.867  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.346  -1.501   1.885  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.331  -2.274   0.444  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.658  -1.655   0.001  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.756  -2.720   0.042  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.521  -1.119  -1.425  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.083  -2.101  -0.400  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.848  -0.500  -1.867  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.946  -1.564  -1.826  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.391  -2.697   0.016  1.00  0.00           N  
HETATM   23  C   UNL     1       0.898  -3.379   0.198  1.00  0.00           C  
HETATM   24  C   UNL     1       2.008  -2.363   0.282  1.00  0.00           C  
HETATM   25  O   UNL     1       1.755  -1.180   0.200  1.00  0.00           O  
HETATM   26  C   UNL     1       1.112  -4.289  -1.031  1.00  0.00           C  
HETATM   27  C   UNL     1       0.198  -3.642  -2.105  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.997  -3.157  -1.247  1.00  0.00           C  
HETATM   29  N   UNL     1       3.282  -2.770   0.449  1.00  0.00           N  
HETATM   30  C   UNL     1       4.326  -1.835   0.420  1.00  0.00           C  
HETATM   31  C   UNL     1       4.238  -0.724  -0.399  1.00  0.00           C  
HETATM   32  C   UNL     1       5.276   0.204  -0.427  1.00  0.00           C  
HETATM   33  S   UNL     1       5.474   1.697  -1.342  1.00  0.00           S  
HETATM   34  C   UNL     1       7.044   1.962  -0.597  1.00  0.00           C  
HETATM   35  N   UNL     1       7.867   3.040  -0.856  1.00  0.00           N  
HETATM   36  N   UNL     1       7.318   1.008   0.224  1.00  0.00           N  
HETATM   37  C   UNL     1       6.410   0.021   0.370  1.00  0.00           C  
HETATM   38  C   UNL     1       6.473  -1.121   1.197  1.00  0.00           C  
HETATM   39  C   UNL     1       5.450  -2.019   1.220  1.00  0.00           C  
HETATM   40  H   UNL     1      -3.054   1.333  -0.796  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.342   1.818   0.332  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.383   4.105   1.252  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.886   6.474   0.800  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.220   7.078  -0.909  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.046   5.313  -2.162  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.536   2.944  -1.704  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.089  -0.576   2.417  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.204  -0.638  -0.390  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.013  -3.015  -0.290  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.459  -2.755   1.413  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.495  -3.537  -0.630  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.738  -0.360  -1.454  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.866  -2.859  -0.371  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.750  -0.117  -2.883  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.685  -2.382  -2.498  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.919  -0.837   0.673  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.854  -3.102   1.058  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.345  -1.283   0.272  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.892  -1.123  -2.141  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.109   0.318  -1.195  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.259  -1.936  -2.097  1.00  0.00           H  
HETATM   62  H   UNL     1       0.874  -3.982   1.106  1.00  0.00           H  
HETATM   63  H   UNL     1       2.154  -4.270  -1.348  1.00  0.00           H  
HETATM   64  H   UNL     1       0.792  -5.308  -0.815  1.00  0.00           H  
HETATM   65  H   UNL     1       0.698  -2.803  -2.589  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.123  -4.380  -2.840  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.687  -3.979  -1.059  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.511  -2.334  -1.743  1.00  0.00           H  
HETATM   69  H   UNL     1       3.477  -3.710   0.589  1.00  0.00           H  
HETATM   70  H   UNL     1       3.365  -0.576  -1.017  1.00  0.00           H  
HETATM   71  H   UNL     1       7.591   3.720  -1.490  1.00  0.00           H  
HETATM   72  H   UNL     1       8.722   3.117  -0.404  1.00  0.00           H  
HETATM   73  H   UNL     1       7.340  -1.282   1.821  1.00  0.00           H  
HETATM   74  H   UNL     1       5.514  -2.885   1.862  1.00  0.00           H  
CONECT    1    2    3   40   41                                       
CONECT    2   11    9    9   10                                       
CONECT    2   10    1                                                 
CONECT    3    1    8    4    4                                       
CONECT    4    3    3    5   42                                       
CONECT    5    6    6    4   43                                       
CONECT    6    7    5    5   44                                       
CONECT    7    8    8    6   45                                       
CONECT    8    3    7    7   46                                       
CONECT    9    2    2                                                 
CONECT   10    2    2                                                 
CONECT   11   12    2   47                                            
CONECT   12   13   11   15   48                                       
CONECT   13   22   14   14   12                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   49   50                                       
CONECT   16   15   17   18   56                                       
CONECT   17   16   19   51   57                                       
CONECT   18   16   20   52   61                                       
CONECT   19   17   21   53   58                                       
CONECT   20   21   18   54   60                                       
CONECT   21   19   20   55   59                                       
CONECT   22   23   28   13                                            
CONECT   23   22   26   24   62                                       
CONECT   24   23   25   25   29                                       
CONECT   25   24   24                                                 
CONECT   26   23   27   63   64                                       
CONECT   27   26   28   65   66                                       
CONECT   28   22   27   67   68                                       
CONECT   29   24   30   69                                            
CONECT   30   29   31   31   39                                       
CONECT   31   30   30   32   70                                       
CONECT   32   31   33   37   37                                       
CONECT   33   32   34                                                 
CONECT   34   33   35   36   36                                       
CONECT   35   34   71   72                                            
CONECT   36   34   34   37                                            
CONECT   37   32   32   36   38                                       
CONECT   38   37   39   39   73                                       
CONECT   39   30   38   38   74                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   19                                                      
CONECT   59   21                                                      
CONECT   60   20                                                      
CONECT   61   18                                                      
CONECT   62   23                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   31                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
