COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.456  -1.300   0.040  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.275  -1.013   0.217  1.00  0.00           N  
HETATM    3  O   UNL     1      -1.207  -2.054  -1.750  1.00  0.00           O  
HETATM    4  C   UNL     1       1.074  -1.570   1.253  1.00  0.00           C  
HETATM    5  N   UNL     1       4.123   0.435   0.944  1.00  0.00           N  
HETATM    6  O   UNL     1      -1.185  -3.213   0.464  1.00  0.00           O  
HETATM    7  C   UNL     1       2.290  -1.001   1.566  1.00  0.00           C  
HETATM    8  O   UNL     1       5.794   1.757   0.351  1.00  0.00           O  
HETATM    9  C   UNL     1       2.907  -0.148   0.657  1.00  0.00           C  
HETATM   10  C   UNL     1       2.278   0.124  -0.573  1.00  0.00           C  
HETATM   11  C   UNL     1       1.046  -0.469  -0.871  1.00  0.00           C  
HETATM   12  C   UNL     1       2.935   1.023  -1.523  1.00  0.00           C  
HETATM   13  C   UNL     1       4.130   1.564  -1.182  1.00  0.00           C  
HETATM   14  C   UNL     1       4.719   1.259   0.064  1.00  0.00           C  
HETATM   15  C   UNL     1       2.297   1.341  -2.851  1.00  0.00           C  
HETATM   16  C   UNL     1       4.775   0.152   2.224  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.428   0.314  -0.385  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.760   0.896   0.015  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.864   1.659   1.163  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.086   2.192   1.530  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.203   1.963   0.748  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.098   1.200  -0.400  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.875   0.672  -0.770  1.00  0.00           C  
HETATM   24  S   UNL     1      -1.098  -2.040  -0.333  1.00  0.00           S  
HETATM   25  H   UNL     1      -2.863  -1.290   0.937  1.00  0.00           H  
HETATM   26  H   UNL     1       0.596  -2.232   1.960  1.00  0.00           H  
HETATM   27  H   UNL     1       2.762  -1.217   2.513  1.00  0.00           H  
HETATM   28  H   UNL     1       0.560  -0.264  -1.813  1.00  0.00           H  
HETATM   29  H   UNL     1       4.634   2.231  -1.866  1.00  0.00           H  
HETATM   30  H   UNL     1       1.659   2.218  -2.747  1.00  0.00           H  
HETATM   31  H   UNL     1       3.074   1.541  -3.589  1.00  0.00           H  
HETATM   32  H   UNL     1       1.696   0.492  -3.178  1.00  0.00           H  
HETATM   33  H   UNL     1       5.422  -0.720   2.117  1.00  0.00           H  
HETATM   34  H   UNL     1       5.372   1.012   2.526  1.00  0.00           H  
HETATM   35  H   UNL     1       4.018  -0.049   2.982  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.627   0.966  -0.036  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.380   0.229  -1.470  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.992   1.838   1.774  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.167   2.788   2.427  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.157   2.379   1.035  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.970   1.025  -1.013  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.794   0.076  -1.667  1.00  0.00           H  
CONECT    1    4    4   11   24                                       
CONECT    2   24   17   25                                            
CONECT    3   24   24                                                 
CONECT    4    7    1    1   26                                       
CONECT    5   16   14    9                                            
CONECT    6   24   24                                                 
CONECT    7    9    9    4   27                                       
CONECT    8   14   14                                                 
CONECT    9    5    7    7   10                                       
CONECT   10    9   12   11   11                                       
CONECT   11   10   10    1   28                                       
CONECT   12   13   13   10   15                                       
CONECT   13   14   12   12   29                                       
CONECT   14    8    8    5   13                                       
CONECT   15   12   30   31   32                                       
CONECT   16    5   33   34   35                                       
CONECT   17    2   18   36   37                                       
CONECT   18   23   17   19   19                                       
CONECT   19   18   18   20   38                                       
CONECT   20   21   21   19   39                                       
CONECT   21   22   20   20   40                                       
CONECT   22   23   23   21   41                                       
CONECT   23   22   22   18   42                                       
CONECT   24    3    3    1    6                                       
CONECT   24    6    2                                                 
CONECT   25    2                                                      
CONECT   26    4                                                      
CONECT   27    7                                                      
CONECT   28   11                                                      
CONECT   29   13                                                      
CONECT   30   15                                                      
CONECT   31   15                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
