COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.446   0.291   0.474  1.00  0.00           C  
HETATM    2  C   UNL     1       2.882  -0.140  -0.650  1.00  0.00           C  
HETATM    3  C   UNL     1       4.270   1.469  -1.938  1.00  0.00           C  
HETATM    4  C   UNL     1       5.326   1.228  -0.853  1.00  0.00           C  
HETATM    5  C   UNL     1       4.630   1.213   0.509  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.287  -3.254  -0.148  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.044  -4.556  -0.107  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.910  -0.958  -0.097  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.308   0.452   0.015  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.311   2.573   0.105  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.878   4.017   0.116  1.00  0.00           C  
HETATM   12  C   UNL     1       1.716  -1.038  -0.546  1.00  0.00           C  
HETATM   13  C   UNL     1       2.874  -0.157   1.757  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.467   4.938  -0.955  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.925   5.065   0.499  1.00  0.00           C  
HETATM   16  C   UNL     1       3.366   0.237  -2.020  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.843  -2.057  -0.024  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.324  -1.860   0.175  1.00  0.00           C  
HETATM   19  S   UNL     1      -0.549  -3.120  -0.358  1.00  0.00           S  
HETATM   20  C   UNL     1      -0.613  -1.367  -0.271  1.00  0.00           C  
HETATM   21  N   UNL     1       0.483  -0.524  -0.369  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.509   1.508  -0.043  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.528   2.136   0.239  1.00  0.00           N  
HETATM   24  O   UNL     1      -3.554   0.924   0.189  1.00  0.00           O  
HETATM   25  O   UNL     1       1.867  -2.242  -0.619  1.00  0.00           O  
HETATM   26  O   UNL     1       1.852  -0.814   1.770  1.00  0.00           O  
HETATM   27  O   UNL     1       3.485   0.162   2.915  1.00  0.00           O  
HETATM   28  H   UNL     1       3.673   2.344  -1.681  1.00  0.00           H  
HETATM   29  H   UNL     1       4.761   1.630  -2.898  1.00  0.00           H  
HETATM   30  H   UNL     1       5.815   0.269  -1.025  1.00  0.00           H  
HETATM   31  H   UNL     1       6.065   2.029  -0.878  1.00  0.00           H  
HETATM   32  H   UNL     1       4.296   2.221   0.755  1.00  0.00           H  
HETATM   33  H   UNL     1       5.332   0.872   1.270  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.358  -4.825  -1.115  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.401  -5.338   0.295  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.922  -4.445   0.530  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.849   4.197   0.424  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.824   5.724  -1.350  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.166   4.500  -1.667  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.926   4.710   0.744  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.584   5.935   1.060  1.00  0.00           H  
HETATM   42  H   UNL     1       3.927  -0.595  -2.447  1.00  0.00           H  
HETATM   43  H   UNL     1       2.510   0.458  -2.658  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.550  -1.857   1.241  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.626  -0.909  -0.264  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.866  -2.672  -0.309  1.00  0.00           H  
HETATM   47  H   UNL     1       0.362   0.437  -0.311  1.00  0.00           H  
HETATM   48  H   UNL     1       3.072  -0.155   3.731  1.00  0.00           H  
CONECT    1    2    2    5   13                                       
CONECT    2    1    1   16   12                                       
CONECT    3   16    4   28   29                                       
CONECT    4    3    5   30   31                                       
CONECT    5    1    4   32   33                                       
CONECT    6   17   17    7   19                                       
CONECT    7    6   34   35   36                                       
CONECT    8   17   20   20    9                                       
CONECT    9    8   22   22   24                                       
CONECT   10   22   23   23   11                                       
CONECT   11   10   14   15   37                                       
CONECT   12    2   21   25   25                                       
CONECT   13    1   26   26   27                                       
CONECT   14   11   15   38   39                                       
CONECT   15   11   14   40   41                                       
CONECT   16    2    3   42   43                                       
CONECT   17    6    6   18    8                                       
CONECT   18   17   44   45   46                                       
CONECT   19    6   20                                                 
CONECT   20   19    8    8   21                                       
CONECT   21   20   12   47                                            
CONECT   22    9    9   10                                            
CONECT   23   10   10   24                                            
CONECT   24    9   23                                                 
CONECT   25   12   12                                                 
CONECT   26   13   13                                                 
CONECT   27   13   48                                                 
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37   11                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   21                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
