COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.292  -2.051   0.191  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.278  -1.401   0.378  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.678  -1.415   1.653  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.549  -0.698   1.886  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.899  -0.706   3.246  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.757  -0.693  -0.640  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.416  -0.716  -1.948  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.609   0.056  -0.469  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.074   0.787  -1.523  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.925   1.531  -1.333  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.405   2.243  -2.366  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.098   2.176  -3.614  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.976   0.080   0.789  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.812   0.837   0.972  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.293   1.556  -0.084  1.00  0.00           C  
HETATM   16  N   UNL     1       0.871   2.315   0.094  1.00  0.00           N  
HETATM   17  S   UNL     1       2.072   1.768   1.094  1.00  0.00           S  
HETATM   18  O   UNL     1       3.158   2.673   0.950  1.00  0.00           O  
HETATM   19  O   UNL     1       1.456   1.484   2.343  1.00  0.00           O  
HETATM   20  C   UNL     1       2.624   0.223   0.450  1.00  0.00           C  
HETATM   21  C   UNL     1       3.656   0.190  -0.471  1.00  0.00           C  
HETATM   22  C   UNL     1       4.093  -1.016  -0.979  1.00  0.00           C  
HETATM   23  C   UNL     1       3.491  -2.205  -0.562  1.00  0.00           C  
HETATM   24  C   UNL     1       3.936  -3.459  -1.090  1.00  0.00           C  
HETATM   25  N   UNL     1       4.288  -4.455  -1.508  1.00  0.00           N  
HETATM   26  C   UNL     1       2.449  -2.164   0.367  1.00  0.00           C  
HETATM   27  C   UNL     1       2.026  -0.952   0.871  1.00  0.00           C  
HETATM   28  H   UNL     1      -4.120  -1.997   2.448  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.474  -1.341   3.919  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.883  -1.092   3.161  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.871   0.310   3.640  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.299  -1.353  -1.898  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.712   0.296  -2.223  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.726  -1.109  -2.695  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.555   0.773  -2.490  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.579   2.788  -4.351  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.128   1.142  -3.957  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.115   2.546  -3.486  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.321   0.855   1.934  1.00  0.00           H  
HETATM   40  H   UNL     1       0.974   3.161  -0.369  1.00  0.00           H  
HETATM   41  H   UNL     1       4.121   1.110  -0.792  1.00  0.00           H  
HETATM   42  H   UNL     1       4.898  -1.040  -1.698  1.00  0.00           H  
HETATM   43  H   UNL     1       1.979  -3.080   0.693  1.00  0.00           H  
HETATM   44  H   UNL     1       1.221  -0.919   1.590  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    6                                       
CONECT    3    2    4    4   28                                       
CONECT    4    3    3    5   13                                       
CONECT    5    4   29   30   31                                       
CONECT    6    2    7    8                                            
CONECT    7    6   32   33   34                                       
CONECT    8    6   13   13    9                                       
CONECT    9    8   10   10   35                                       
CONECT   10    9    9   15   11                                       
CONECT   11   10   12                                                 
CONECT   12   11   36   37   38                                       
CONECT   13    4    8    8   14                                       
CONECT   14   13   15   15   39                                       
CONECT   15   14   14   10   16                                       
CONECT   16   15   17   40                                            
CONECT   17   20   18   18   16                                       
CONECT   17   19   19                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   27   27   21   17                                       
CONECT   21   22   22   20   41                                       
CONECT   22   23   21   21   42                                       
CONECT   23   24   26   26   22                                       
CONECT   24   25   25   25   23                                       
CONECT   25   24   24   24                                            
CONECT   26   23   23   27   43                                       
CONECT   27   26   20   20   44                                       
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
