COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.701   3.869  -0.125  1.00  0.00           C  
HETATM    2  C   UNL     1       4.749   1.292   0.227  1.00  0.00           C  
HETATM    3  C   UNL     1       3.706   0.419   0.132  1.00  0.00           C  
HETATM    4  C   UNL     1       2.483   1.237   0.051  1.00  0.00           C  
HETATM    5  C   UNL     1       2.914   2.577   0.107  1.00  0.00           C  
HETATM    6  C   UNL     1       1.950   3.579   0.052  1.00  0.00           C  
HETATM    7  C   UNL     1       0.617   3.219  -0.064  1.00  0.00           C  
HETATM    8  C   UNL     1       1.126   0.961  -0.057  1.00  0.00           C  
HETATM    9  C   UNL     1       5.903   3.746   1.621  1.00  0.00           C  
HETATM   10  C   UNL     1       6.105   3.785  -0.869  1.00  0.00           C  
HETATM   11  C   UNL     1       5.124   3.764   0.305  1.00  0.00           C  
HETATM   12  N   UNL     1       4.284   2.567   0.218  1.00  0.00           N  
HETATM   13  N   UNL     1       0.251   1.945  -0.123  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.357   4.214  -0.119  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.686   4.858  -0.070  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.012   4.468  -0.078  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.309   3.180  -0.138  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.353   2.261  -0.190  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.069   2.594  -0.190  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.728   0.830  -0.256  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.840  -0.264  -0.310  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.549  -1.360  -0.359  1.00  0.00           N  
HETATM   23  N   UNL     1      -4.905  -1.014  -0.338  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.998   0.327  -0.270  1.00  0.00           C  
HETATM   25  S   UNL     1      -6.177  -2.073  -0.384  1.00  0.00           S  
HETATM   26  O   UNL     1      -7.240  -1.321  -0.952  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.656  -3.218  -1.045  1.00  0.00           O  
HETATM   28  C   UNL     1      -6.520  -2.445   1.358  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.584  -3.502   1.659  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.104  -3.821   1.882  1.00  0.00           C  
HETATM   31  C   UNL     1       3.786  -1.048   0.114  1.00  0.00           C  
HETATM   32  O   UNL     1       2.770  -1.711   0.025  1.00  0.00           O  
HETATM   33  N   UNL     1       4.985  -1.658   0.197  1.00  0.00           N  
HETATM   34  C   UNL     1       5.064  -3.121   0.179  1.00  0.00           C  
HETATM   35  C   UNL     1       5.089  -3.615  -1.271  1.00  0.00           C  
HETATM   36  C   UNL     1       5.252  -5.137  -1.280  1.00  0.00           C  
HETATM   37  O   UNL     1       6.448  -5.492  -0.584  1.00  0.00           O  
HETATM   38  C   UNL     1       6.462  -5.097   0.790  1.00  0.00           C  
HETATM   39  C   UNL     1       6.348  -3.573   0.882  1.00  0.00           C  
HETATM   40  H   UNL     1       5.789   1.011   0.302  1.00  0.00           H  
HETATM   41  H   UNL     1       2.236   4.620   0.099  1.00  0.00           H  
HETATM   42  H   UNL     1       0.788  -0.064  -0.101  1.00  0.00           H  
HETATM   43  H   UNL     1       5.204   3.731   2.457  1.00  0.00           H  
HETATM   44  H   UNL     1       6.532   2.857   1.658  1.00  0.00           H  
HETATM   45  H   UNL     1       6.528   4.636   1.686  1.00  0.00           H  
HETATM   46  H   UNL     1       6.735   2.896  -0.832  1.00  0.00           H  
HETATM   47  H   UNL     1       5.550   3.798  -1.807  1.00  0.00           H  
HETATM   48  H   UNL     1       6.730   4.675  -0.804  1.00  0.00           H  
HETATM   49  H   UNL     1       4.494   4.653   0.268  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.096   5.147  -0.154  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.418   5.903  -0.021  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.798   5.208  -0.036  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.761  -0.205  -0.312  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.912   0.902  -0.235  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.442  -1.601   2.043  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.205  -3.354   2.542  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.078  -3.975   0.810  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.625  -4.503   1.180  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.752  -3.882   2.912  1.00  0.00           H  
HETATM   60  H   UNL     1       5.795  -1.129   0.268  1.00  0.00           H  
HETATM   61  H   UNL     1       4.200  -3.540   0.693  1.00  0.00           H  
HETATM   62  H   UNL     1       4.155  -3.346  -1.764  1.00  0.00           H  
HETATM   63  H   UNL     1       5.925  -3.156  -1.798  1.00  0.00           H  
HETATM   64  H   UNL     1       4.395  -5.598  -0.789  1.00  0.00           H  
HETATM   65  H   UNL     1       5.313  -5.490  -2.310  1.00  0.00           H  
HETATM   66  H   UNL     1       5.621  -5.556   1.309  1.00  0.00           H  
HETATM   67  H   UNL     1       7.394  -5.420   1.252  1.00  0.00           H  
HETATM   68  H   UNL     1       7.210  -3.113   0.399  1.00  0.00           H  
HETATM   69  H   UNL     1       6.314  -3.273   1.930  1.00  0.00           H  
CONECT    1   15   15   19   14                                       
CONECT    2   12    3    3   40                                       
CONECT    3    4    2    2   31                                       
CONECT    4    5    5    8    3                                       
CONECT    5    6   12    4    4                                       
CONECT    6    7    7    5   41                                       
CONECT    7   14    6    6   13                                       
CONECT    8   13   13    4   42                                       
CONECT    9   11   43   44   45                                       
CONECT   10   11   46   47   48                                       
CONECT   11    9   10   12   49                                       
CONECT   12   11    5    2                                            
CONECT   13    7    8    8                                            
CONECT   14    1    7   50                                            
CONECT   15   16    1    1   51                                       
CONECT   16   17   17   15   52                                       
CONECT   17   16   16   18                                            
CONECT   18   17   20   19   19                                       
CONECT   19   18   18    1                                            
CONECT   20   21   18   24   24                                       
CONECT   21   22   22   20   53                                       
CONECT   22   21   21   23                                            
CONECT   23   22   25   24                                            
CONECT   24   20   20   23   54                                       
CONECT   25   26   26   23   28                                       
CONECT   25   27   27                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25   29   30   55                                       
CONECT   29   28   30   56   57                                       
CONECT   30   28   29   58   59                                       
CONECT   31    3   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   60                                            
CONECT   34   33   39   35   61                                       
CONECT   35   34   36   62   63                                       
CONECT   36   35   37   64   65                                       
CONECT   37   36   38                                                 
CONECT   38   39   37   66   67                                       
CONECT   39   34   38   68   69                                       
CONECT   40    2                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   21                                                      
CONECT   54   24                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   30                                                      
CONECT   60   33                                                      
CONECT   61   34                                                      
CONECT   62   35                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
CONECT   68   39                                                      
CONECT   69   39                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
