COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.599   4.636   2.016  1.00  0.00           C  
HETATM    2  O   UNL     1       2.234   3.430   1.587  1.00  0.00           O  
HETATM    3  C   UNL     1       1.462   2.529   0.924  1.00  0.00           C  
HETATM    4  C   UNL     1       0.124   2.799   0.691  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.661   1.878   0.013  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.108   0.687  -0.431  1.00  0.00           C  
HETATM    7  C   UNL     1       1.227   0.414  -0.200  1.00  0.00           C  
HETATM    8  C   UNL     1       2.018   1.334   0.472  1.00  0.00           C  
HETATM    9  N   UNL     1       3.374   1.059   0.701  1.00  0.00           N  
HETATM   10  C   UNL     1       4.071   0.319  -0.185  1.00  0.00           C  
HETATM   11  O   UNL     1       3.549  -0.039  -1.219  1.00  0.00           O  
HETATM   12  C   UNL     1       5.498  -0.063   0.111  1.00  0.00           C  
HETATM   13  C   UNL     1       6.054  -0.896  -1.046  1.00  0.00           C  
HETATM   14  C   UNL     1       7.481  -1.278  -0.751  1.00  0.00           C  
HETATM   15  O   UNL     1       8.001  -0.921   0.280  1.00  0.00           O  
HETATM   16  O   UNL     1       8.175  -2.015  -1.632  1.00  0.00           O  
HETATM   17  S   UNL     1      -1.108  -0.481  -1.292  1.00  0.00           S  
HETATM   18  O   UNL     1      -1.794   0.246  -2.302  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.274  -1.597  -1.568  1.00  0.00           O  
HETATM   20  N   UNL     1      -2.264  -1.011  -0.231  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.897  -1.781   0.875  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.751  -2.565   0.828  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.390  -3.324   1.924  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.169  -3.305   3.066  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.310  -2.526   3.116  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.673  -1.759   2.027  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.610  -0.689  -0.444  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.609  -1.530   0.030  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.936  -1.211  -0.179  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.272  -0.050  -0.863  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.274   0.790  -1.337  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.947   0.475  -1.123  1.00  0.00           C  
HETATM   33  N   UNL     1      -7.618   0.272  -1.076  1.00  0.00           N  
HETATM   34  O   UNL     1      -1.975   2.144  -0.215  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.479   3.389   0.271  1.00  0.00           C  
HETATM   36  H   UNL     1       1.206   5.168   1.149  1.00  0.00           H  
HETATM   37  H   UNL     1       0.781   4.395   2.695  1.00  0.00           H  
HETATM   38  H   UNL     1       2.325   5.266   2.531  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.308   3.727   1.037  1.00  0.00           H  
HETATM   40  H   UNL     1       1.656  -0.515  -0.547  1.00  0.00           H  
HETATM   41  H   UNL     1       3.811   1.402   1.496  1.00  0.00           H  
HETATM   42  H   UNL     1       6.099   0.839   0.231  1.00  0.00           H  
HETATM   43  H   UNL     1       5.535  -0.649   1.030  1.00  0.00           H  
HETATM   44  H   UNL     1       5.453  -1.798  -1.166  1.00  0.00           H  
HETATM   45  H   UNL     1       6.017  -0.311  -1.965  1.00  0.00           H  
HETATM   46  H   UNL     1       9.087  -2.235  -1.399  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.143  -2.581  -0.064  1.00  0.00           H  
HETATM   48  H   UNL     1       0.500  -3.934   1.888  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.885  -3.900   3.922  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.917  -2.514   4.010  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.562  -1.147   2.069  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.347  -2.433   0.562  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.713  -1.865   0.189  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.535   1.693  -1.869  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.170   1.129  -1.492  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.315  -0.315  -0.745  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.852   1.083  -1.553  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.537   3.475   0.023  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.355   3.434   1.353  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.930   4.209  -0.192  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   39                                       
CONECT    5    4    6    6   34                                       
CONECT    6    5    5   17    7                                       
CONECT    7    6    8    8   40                                       
CONECT    8    3    7    7    9                                       
CONECT    9    8   10   41                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   42   43                                       
CONECT   13   12   14   44   45                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   46                                                 
CONECT   17    6   18   18   20                                       
CONECT   17   19   19                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   17   27   21                                            
CONECT   21   20   22   22   26                                       
CONECT   22   21   21   23   47                                       
CONECT   23   22   24   24   48                                       
CONECT   24   23   23   25   49                                       
CONECT   25   24   26   26   50                                       
CONECT   26   21   25   25   51                                       
CONECT   27   20   28   28   32                                       
CONECT   28   27   27   29   52                                       
CONECT   29   28   30   30   53                                       
CONECT   30   29   29   33   31                                       
CONECT   31   30   32   32   54                                       
CONECT   32   27   31   31   55                                       
CONECT   33   30   56   57                                            
CONECT   34    5   35                                                 
CONECT   35   34   58   59   60                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    4                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   16                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   31                                                      
CONECT   55   32                                                      
CONECT   56   33                                                      
CONECT   57   33                                                      
CONECT   58   35                                                      
CONECT   59   35                                                      
CONECT   60   35                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
