COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.155   0.542   0.947  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.339  -0.505   0.316  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.903  -0.053   0.251  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.634   1.126   0.340  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.857  -0.767  -1.100  1.00  0.00           C  
HETATM    6  C   UNL     1       0.772   3.420   0.162  1.00  0.00           C  
HETATM    7  C   UNL     1       6.061  -0.302  -0.521  1.00  0.00           C  
HETATM    8  C   UNL     1       4.004   0.456  -1.231  1.00  0.00           C  
HETATM    9  C   UNL     1       4.106  -1.047   0.649  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.084  -0.123  -0.406  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.567   0.139   1.011  1.00  0.00           C  
HETATM   12  C   UNL     1       1.672   2.211   0.121  1.00  0.00           C  
HETATM   13  C   UNL     1       5.487  -1.056   0.496  1.00  0.00           C  
HETATM   14  C   UNL     1       3.347  -0.273  -0.236  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.595  -0.543   0.036  1.00  0.00           C  
HETATM   16  C   UNL     1       1.111   0.912   0.043  1.00  0.00           C  
HETATM   17  C   UNL     1       1.877  -0.225  -0.120  1.00  0.00           C  
HETATM   18  N   UNL     1       6.289  -1.814   1.353  1.00  0.00           N  
HETATM   19  N   UNL     1       5.316   0.417  -1.338  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.202   0.685   0.119  1.00  0.00           N  
HETATM   21  N   UNL     1      -6.268  -1.170  -1.037  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.918  -0.959   0.095  1.00  0.00           N  
HETATM   23  O   UNL     1       2.878   2.351   0.155  1.00  0.00           O  
HETATM   24  S   UNL     1       0.788  -1.610  -0.172  1.00  0.00           S  
HETATM   25  H   UNL     1      -4.802   0.771   1.865  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.406  -1.421   0.903  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.764   0.142  -1.695  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.271  -1.563  -1.560  1.00  0.00           H  
HETATM   29  H   UNL     1       0.533   3.659   1.197  1.00  0.00           H  
HETATM   30  H   UNL     1       1.281   4.267  -0.299  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.147   3.207  -0.384  1.00  0.00           H  
HETATM   32  H   UNL     1       7.135  -0.302  -0.642  1.00  0.00           H  
HETATM   33  H   UNL     1       3.430   1.058  -1.921  1.00  0.00           H  
HETATM   34  H   UNL     1       3.630  -1.623   1.429  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.123  -0.450  -0.359  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.017   0.793  -0.992  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.659  -0.770   1.605  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.152   0.935   1.470  1.00  0.00           H  
HETATM   39  H   UNL     1       7.253  -1.816   1.241  1.00  0.00           H  
HETATM   40  H   UNL     1       5.882  -2.338   2.061  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.621  -1.399  -1.954  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.133  -1.902   0.025  1.00  0.00           H  
CONECT    1    2   11   25                                            
CONECT    2    3    5    1   26                                       
CONECT    3    4    4   22    2                                       
CONECT    4    3    3                                                 
CONECT    5    2   21   27   28                                       
CONECT    6   12   29   30   31                                       
CONECT    7   13   13   19   32                                       
CONECT    8   19   19   14   33                                       
CONECT    9   13   14   14   34                                       
CONECT   10   21   11   35   36                                       
CONECT   11   10    1   37   38                                       
CONECT   12    6   16   23   23                                       
CONECT   13   18    7    7    9                                       
CONECT   14    9    9    8   17                                       
CONECT   15   24   20   20   22                                       
CONECT   16   17   17   12   20                                       
CONECT   17   14   16   16   24                                       
CONECT   18   13   39   40                                            
CONECT   19    7    8    8                                            
CONECT   20   16   15   15                                            
CONECT   21    5   10   41                                            
CONECT   22   15    3   42                                            
CONECT   23   12   12                                                 
CONECT   24   17   15                                                 
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
