COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.727  -3.111  -0.172  1.00  0.00           C  
HETATM    2  C   UNL     1       2.447  -3.418   0.600  1.00  0.00           C  
HETATM    3  C   UNL     1       1.390  -2.370   0.295  1.00  0.00           C  
HETATM    4  C   UNL     1       5.453  -1.292  -0.049  1.00  0.00           C  
HETATM    5  C   UNL     1       4.811   0.925  -0.017  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.737  -0.431  -0.317  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.952   0.692  -0.660  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.411   0.192  -0.588  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.300  -1.079   0.293  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.928  -1.646  -0.149  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.308   1.237   0.079  1.00  0.00           C  
HETATM   12  C   UNL     1       5.212   2.378  -0.009  1.00  0.00           C  
HETATM   13  C   UNL     1       4.657   3.053   1.246  1.00  0.00           C  
HETATM   14  C   UNL     1       6.739   2.485  -0.013  1.00  0.00           C  
HETATM   15  C   UNL     1       4.649   3.069  -1.252  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.731   1.776   0.363  1.00  0.00           C  
HETATM   17  C   UNL     1       1.747  -1.079   0.013  1.00  0.00           C  
HETATM   18  S   UNL     1       0.295  -0.138  -0.247  1.00  0.00           S  
HETATM   19  C   UNL     1      -0.665  -1.529   0.014  1.00  0.00           C  
HETATM   20  N   UNL     1       0.088  -2.555   0.271  1.00  0.00           N  
HETATM   21  N   UNL     1      -2.050  -1.557  -0.041  1.00  0.00           N  
HETATM   22  C   UNL     1       3.154  -0.659  -0.024  1.00  0.00           C  
HETATM   23  C   UNL     1       4.127  -1.669  -0.064  1.00  0.00           C  
HETATM   24  N   UNL     1       5.751   0.001  -0.025  1.00  0.00           N  
HETATM   25  N   UNL     1       3.529   0.614  -0.014  1.00  0.00           N  
HETATM   26  N   UNL     1      -4.083  -0.458  -0.370  1.00  0.00           N  
HETATM   27  O   UNL     1      -2.141   0.610  -0.518  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.190   1.515   1.416  1.00  0.00           O  
HETATM   29  N   UNL     1      -5.134   3.036   0.107  1.00  0.00           N  
HETATM   30  H   UNL     1       4.532  -3.732   0.221  1.00  0.00           H  
HETATM   31  H   UNL     1       3.573  -3.356  -1.223  1.00  0.00           H  
HETATM   32  H   UNL     1       2.076  -4.401   0.308  1.00  0.00           H  
HETATM   33  H   UNL     1       2.660  -3.417   1.668  1.00  0.00           H  
HETATM   34  H   UNL     1       6.236  -2.036  -0.055  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.740   1.075  -1.658  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.783  -0.055  -1.582  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.293  -0.822   1.352  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.103  -1.781   0.069  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.504  -2.271   0.637  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.032  -2.216  -1.072  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.281   2.161  -0.498  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.332   0.864   0.119  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.952   1.429   1.091  1.00  0.00           H  
HETATM   44  H   UNL     1       5.058   2.561   2.132  1.00  0.00           H  
HETATM   45  H   UNL     1       4.947   4.104   1.252  1.00  0.00           H  
HETATM   46  H   UNL     1       3.570   2.977   1.249  1.00  0.00           H  
HETATM   47  H   UNL     1       7.140   1.992   0.872  1.00  0.00           H  
HETATM   48  H   UNL     1       7.134   2.003  -0.908  1.00  0.00           H  
HETATM   49  H   UNL     1       7.029   3.536  -0.008  1.00  0.00           H  
HETATM   50  H   UNL     1       4.939   4.120  -1.247  1.00  0.00           H  
HETATM   51  H   UNL     1       5.045   2.587  -2.146  1.00  0.00           H  
HETATM   52  H   UNL     1       3.562   2.992  -1.249  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.525  -2.387   0.120  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.567   3.246  -0.736  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.992   3.735   0.765  1.00  0.00           H  
CONECT    1   23    2   30   31                                       
CONECT    2    1    3   32   33                                       
CONECT    3   17   17    2   20                                       
CONECT    4   24   24   23   34                                       
CONECT    5   12   24   25   25                                       
CONECT    6   27   27   21   26                                       
CONECT    7   16   26    8   35                                       
CONECT    8    7   11    9   36                                       
CONECT    9   10    8   37   38                                       
CONECT   10   26    9   39   40                                       
CONECT   11    8   41   42   43                                       
CONECT   12   15   14   13    5                                       
CONECT   13   12   44   45   46                                       
CONECT   14   12   47   48   49                                       
CONECT   15   12   50   51   52                                       
CONECT   16   28   28    7   29                                       
CONECT   17   22   18    3    3                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   20   21                                       
CONECT   20    3   19   19                                            
CONECT   21   19    6   53                                            
CONECT   22   25   23   23   17                                       
CONECT   23    4   22   22    1                                       
CONECT   24    5    4    4                                            
CONECT   25    5    5   22                                            
CONECT   26    6    7   10                                            
CONECT   27    6    6                                                 
CONECT   28   16   16                                                 
CONECT   29   16   54   55                                            
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   21                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
