COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.077   4.330  -0.002  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.218   3.050   0.561  1.00  0.00           O  
HETATM    3  C   UNL     1       0.680   2.055   0.337  1.00  0.00           C  
HETATM    4  C   UNL     1       1.816   2.310  -0.407  1.00  0.00           C  
HETATM    5  C   UNL     1       2.737   1.297  -0.639  1.00  0.00           C  
HETATM    6  O   UNL     1       3.907   1.247  -1.310  1.00  0.00           O  
HETATM    7  N   UNL     1       4.439  -0.060  -1.224  1.00  0.00           N  
HETATM    8  C   UNL     1       3.644  -0.812  -0.528  1.00  0.00           C  
HETATM    9  C   UNL     1       3.850  -2.270  -0.205  1.00  0.00           C  
HETATM   10  C   UNL     1       4.626  -2.396   1.107  1.00  0.00           C  
HETATM   11  C   UNL     1       2.508   0.015  -0.114  1.00  0.00           C  
HETATM   12  C   UNL     1       1.356  -0.237   0.639  1.00  0.00           C  
HETATM   13  C   UNL     1       0.452   0.780   0.866  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.701   0.535   1.624  1.00  0.00           N  
HETATM   15  S   UNL     1      -1.462  -0.933   1.522  1.00  0.00           S  
HETATM   16  O   UNL     1      -0.471  -1.918   1.777  1.00  0.00           O  
HETATM   17  O   UNL     1      -2.658  -0.818   2.281  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.957  -1.147  -0.156  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.410  -2.165  -0.913  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.797  -2.334  -2.229  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.733  -1.486  -2.791  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.283  -0.467  -2.038  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.900  -0.298  -0.715  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.440   0.703   0.027  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.397   1.546  -0.618  1.00  0.00           C  
HETATM   26  H   UNL     1       1.023   4.693   0.399  1.00  0.00           H  
HETATM   27  H   UNL     1       0.152   4.241  -1.086  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.718   5.030   0.251  1.00  0.00           H  
HETATM   29  H   UNL     1       1.987   3.298  -0.809  1.00  0.00           H  
HETATM   30  H   UNL     1       2.882  -2.760  -0.103  1.00  0.00           H  
HETATM   31  H   UNL     1       4.414  -2.743  -1.008  1.00  0.00           H  
HETATM   32  H   UNL     1       4.062  -1.923   1.911  1.00  0.00           H  
HETATM   33  H   UNL     1       4.776  -3.451   1.341  1.00  0.00           H  
HETATM   34  H   UNL     1       5.595  -1.906   1.005  1.00  0.00           H  
HETATM   35  H   UNL     1       1.177  -1.222   1.044  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.053   1.224   2.209  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.678  -2.829  -0.476  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.368  -3.130  -2.819  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.035  -1.620  -3.819  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.014   0.196  -2.478  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.748   2.302   0.085  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.932   2.034  -1.474  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.241   0.945  -0.956  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   13                                       
CONECT    4    3    3    5   29                                       
CONECT    5    4    6   11   11                                       
CONECT    6    5    7                                                 
CONECT    7    6    8    8                                            
CONECT    8   11    7    7    9                                       
CONECT    9    8   10   30   31                                       
CONECT   10    9   32   33   34                                       
CONECT   11    5    5   12    8                                       
CONECT   12   13   13   11   35                                       
CONECT   13    3   14   12   12                                       
CONECT   14   15   13   36                                            
CONECT   15   18   17   17   14                                       
CONECT   15   16   16                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   23   23   19   15                                       
CONECT   19   20   20   18   37                                       
CONECT   20   21   19   19   38                                       
CONECT   21   22   22   20   39                                       
CONECT   22   21   21   23   40                                       
CONECT   23   22   24   18   18                                       
CONECT   24   25   23                                                 
CONECT   25   24   41   42   43                                       
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   25                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
