COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.348  -0.798  -5.617  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.929  -1.119  -6.830  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.239  -0.721  -7.065  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.921  -0.021  -6.087  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.348   0.267  -4.936  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.095  -0.089  -4.674  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.490   0.260  -3.373  1.00  0.00           C  
HETATM    8  S   UNL     1       1.149  -0.094  -2.763  1.00  0.00           S  
HETATM    9  C   UNL     1      -1.041   0.943  -2.321  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.278   1.149  -1.194  1.00  0.00           C  
HETATM   11  C   UNL     1       0.996   0.681  -1.162  1.00  0.00           C  
HETATM   12  S   UNL     1       2.189   0.801   0.128  1.00  0.00           S  
HETATM   13  O   UNL     1       1.793   1.916   0.916  1.00  0.00           O  
HETATM   14  O   UNL     1       3.454   0.645  -0.499  1.00  0.00           O  
HETATM   15  N   UNL     1       2.002  -0.525   1.100  1.00  0.00           N  
HETATM   16  C   UNL     1       2.754  -1.751   0.819  1.00  0.00           C  
HETATM   17  C   UNL     1       1.132  -0.477   2.183  1.00  0.00           C  
HETATM   18  C   UNL     1       1.388  -1.246   3.315  1.00  0.00           C  
HETATM   19  C   UNL     1       0.528  -1.200   4.389  1.00  0.00           C  
HETATM   20  C   UNL     1       0.009   0.344   2.136  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.856   0.390   3.204  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.602  -0.380   4.342  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.526  -0.329   5.491  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.304  -1.001   6.480  1.00  0.00           O  
HETATM   25  N   UNL     1      -2.616   0.461   5.445  1.00  0.00           N  
HETATM   26  O   UNL     1      -3.503   0.510   6.548  1.00  0.00           O  
HETATM   27  H   UNL     1       0.668  -1.092  -5.402  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.376  -1.666  -7.580  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.720  -0.956  -8.003  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.940   0.288  -6.267  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.056   1.309  -2.373  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.685   1.684  -0.348  1.00  0.00           H  
HETATM   33  H   UNL     1       2.502  -2.510   1.559  1.00  0.00           H  
HETATM   34  H   UNL     1       2.496  -2.115  -0.175  1.00  0.00           H  
HETATM   35  H   UNL     1       3.822  -1.540   0.863  1.00  0.00           H  
HETATM   36  H   UNL     1       2.261  -1.880   3.350  1.00  0.00           H  
HETATM   37  H   UNL     1       0.727  -1.798   5.266  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.186   0.940   1.257  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.730   1.024   3.165  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.793   0.997   4.656  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.208   1.129   6.313  1.00  0.00           H  
CONECT    1    2    2    6   27                                       
CONECT    2    1    1    3   28                                       
CONECT    3    2    4    4   29                                       
CONECT    4    3    3    5   30                                       
CONECT    5    4    6    6                                            
CONECT    6    1    5    5    7                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7   11                                                 
CONECT    9    7    7   10   31                                       
CONECT   10    9   11   11   32                                       
CONECT   11    8   10   10   12                                       
CONECT   12   11   13   13   14                                       
CONECT   12   14   15                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   12   16   17                                            
CONECT   16   15   33   34   35                                       
CONECT   17   15   18   18   20                                       
CONECT   18   17   17   19   36                                       
CONECT   19   18   22   22   37                                       
CONECT   20   17   21   21   38                                       
CONECT   21   20   20   22   39                                       
CONECT   22   19   19   21   23                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   40                                            
CONECT   26   25   41                                                 
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
