COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.502   1.599  -2.117  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.603   2.710   1.024  1.00  0.00           C  
HETATM    3  C   UNL     1       1.820   2.788   0.425  1.00  0.00           C  
HETATM    4  C   UNL     1       3.135   0.843   0.610  1.00  0.00           C  
HETATM    5  C   UNL     1       5.042  -0.590  -0.038  1.00  0.00           C  
HETATM    6  C   UNL     1       7.054  -1.415  -1.184  1.00  0.00           C  
HETATM    7  C   UNL     1       7.283  -3.342  -0.097  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.353   1.358   1.700  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.893  -2.201   1.239  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.070  -1.825  -0.080  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.971  -1.626  -0.895  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.696  -1.803  -0.391  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.519  -2.178   0.927  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.618  -2.378   1.742  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.498  -1.585  -1.280  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.055  -0.124  -1.190  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.919   0.127  -2.185  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.169   1.933  -0.725  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.981   2.489  -0.418  1.00  0.00           C  
HETATM   20  C   UNL     1       0.675   3.551   1.095  1.00  0.00           C  
HETATM   21  N   UNL     1       2.020   1.503   1.108  1.00  0.00           N  
HETATM   22  N   UNL     1       3.922   1.271  -0.333  1.00  0.00           N  
HETATM   23  N   UNL     1       4.894   0.539  -0.663  1.00  0.00           N  
HETATM   24  N   UNL     1       6.051  -1.528  -0.262  1.00  0.00           N  
HETATM   25  C   UNL     1       7.826  -2.517  -1.104  1.00  0.00           C  
HETATM   26  C   UNL     1       6.202  -2.710   0.405  1.00  0.00           C  
HETATM   27  S   UNL     1       3.743  -0.724   1.148  1.00  0.00           S  
HETATM   28  C   UNL     1       0.822   0.659   1.012  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.216   2.813  -1.302  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.156   1.648   0.325  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.567   0.175   0.229  1.00  0.00           C  
HETATM   32  H   UNL     1      -1.629   1.761  -2.750  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.323   2.228  -2.460  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.411   3.231   1.537  1.00  0.00           H  
HETATM   35  H   UNL     1       1.574   2.608  -0.621  1.00  0.00           H  
HETATM   36  H   UNL     1       2.735   3.378   0.487  1.00  0.00           H  
HETATM   37  H   UNL     1       7.199  -0.587  -1.862  1.00  0.00           H  
HETATM   38  H   UNL     1       7.667  -4.300   0.219  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.117   1.516   2.752  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.246   0.739   1.615  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.751  -2.352   1.877  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.066  -1.687  -0.473  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.109  -1.332  -1.925  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.523  -2.316   1.321  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.480  -2.667   2.773  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.683  -2.233  -0.956  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.762  -1.822  -2.310  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.897   0.526  -1.429  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.260  -0.109  -3.193  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.068  -0.505  -1.932  1.00  0.00           H  
HETATM   51  H   UNL     1       0.517   4.497   0.578  1.00  0.00           H  
HETATM   52  H   UNL     1       0.927   3.743   2.138  1.00  0.00           H  
HETATM   53  H   UNL     1       8.698  -2.732  -1.704  1.00  0.00           H  
HETATM   54  H   UNL     1       5.562  -3.079   1.193  1.00  0.00           H  
HETATM   55  H   UNL     1       1.011  -0.297   1.500  1.00  0.00           H  
HETATM   56  H   UNL     1       0.580   0.489  -0.037  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.716   1.842   1.303  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.032   2.281   0.184  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.369  -0.026   0.940  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.709  -0.457   0.460  1.00  0.00           H  
CONECT    1   18   17   32   33                                       
CONECT    2    8   19   20   34                                       
CONECT    3   21   20   35   36                                       
CONECT    4   27   22   22   21                                       
CONECT    5   24   27   23   23                                       
CONECT    6   25   25   24   37                                       
CONECT    7   25   26   26   38                                       
CONECT    8   28    2   39   40                                       
CONECT    9   10   10   14   41                                       
CONECT   10   11    9    9   42                                       
CONECT   11   12   12   10   43                                       
CONECT   12   15   11   11   13                                       
CONECT   13   12   14   14   44                                       
CONECT   14   13   13    9   45                                       
CONECT   15   12   16   46   47                                       
CONECT   16   15   31   17   48                                       
CONECT   17    1   16   49   50                                       
CONECT   18   19    1   30                                            
CONECT   19   29   29    2   18                                       
CONECT   20    2    3   51   52                                       
CONECT   21   28    4    3                                            
CONECT   22   23    4    4                                            
CONECT   23    5    5   22                                            
CONECT   24    6   26    5                                            
CONECT   25    7    6    6   53                                       
CONECT   26    7    7   24   54                                       
CONECT   27    5    4                                                 
CONECT   28    8   21   55   56                                       
CONECT   29   19   19                                                 
CONECT   30   18   31   57   58                                       
CONECT   31   30   16   59   60                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
