COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.827   0.404   0.826  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.084  -0.516   1.071  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.389  -1.384   2.049  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.817  -0.694   0.275  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.841  -2.055  -0.424  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.498  -2.296  -1.117  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.397  -2.431  -0.064  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.574  -3.581  -1.944  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.717   0.368  -0.728  1.00  0.00           N  
HETATM   10  S   UNL     1      -1.849   1.740  -0.398  1.00  0.00           S  
HETATM   11  O   UNL     1      -1.915   2.547  -1.565  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.275   2.187   0.882  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.163   1.259  -0.220  1.00  0.00           C  
HETATM   14  C   UNL     1       0.670   1.244  -1.325  1.00  0.00           C  
HETATM   15  C   UNL     1       1.991   0.869  -1.191  1.00  0.00           C  
HETATM   16  C   UNL     1       0.325   0.904   1.025  1.00  0.00           C  
HETATM   17  C   UNL     1       1.645   0.527   1.169  1.00  0.00           C  
HETATM   18  C   UNL     1       2.487   0.505   0.059  1.00  0.00           C  
HETATM   19  C   UNL     1       3.907   0.101   0.209  1.00  0.00           C  
HETATM   20  C   UNL     1       4.402  -0.263   1.459  1.00  0.00           C  
HETATM   21  C   UNL     1       5.723  -0.638   1.592  1.00  0.00           C  
HETATM   22  C   UNL     1       6.555  -0.654   0.488  1.00  0.00           C  
HETATM   23  C   UNL     1       6.069  -0.293  -0.756  1.00  0.00           C  
HETATM   24  C   UNL     1       4.748   0.079  -0.902  1.00  0.00           C  
HETATM   25  H   UNL     1      -1.957  -0.645   0.944  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.014  -2.839   0.313  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.640  -2.069  -1.165  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.272  -1.455  -1.773  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.623  -3.272   0.592  1.00  0.00           H  
HETATM   30  H   UNL     1       0.559  -2.603  -0.558  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.343  -1.516   0.525  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.348  -3.478  -2.705  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.613  -3.761  -2.425  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.816  -4.419  -1.291  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.159   0.269  -1.585  1.00  0.00           H  
HETATM   36  H   UNL     1       0.285   1.526  -2.294  1.00  0.00           H  
HETATM   37  H   UNL     1       2.640   0.858  -2.055  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.328   0.921   1.885  1.00  0.00           H  
HETATM   39  H   UNL     1       2.025   0.250   2.142  1.00  0.00           H  
HETATM   40  H   UNL     1       3.753  -0.251   2.322  1.00  0.00           H  
HETATM   41  H   UNL     1       6.108  -0.920   2.561  1.00  0.00           H  
HETATM   42  H   UNL     1       7.589  -0.948   0.597  1.00  0.00           H  
HETATM   43  H   UNL     1       6.723  -0.306  -1.615  1.00  0.00           H  
HETATM   44  H   UNL     1       4.368   0.356  -1.874  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.215  -1.231   2.530  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   45                                                 
CONECT    4    2    5    9   25                                       
CONECT    5    4    6   26   27                                       
CONECT    6    5    7    8   28                                       
CONECT    7    6   29   30   31                                       
CONECT    8    6   32   33   34                                       
CONECT    9    4   10   35                                            
CONECT   10    9   11   11   12                                       
CONECT   10   12   13                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   14   14   16                                       
CONECT   14   13   13   15   36                                       
CONECT   15   14   18   18   37                                       
CONECT   16   13   17   17   38                                       
CONECT   17   16   16   18   39                                       
CONECT   18   15   15   17   19                                       
CONECT   19   18   20   20   24                                       
CONECT   20   19   19   21   40                                       
CONECT   21   20   22   22   41                                       
CONECT   22   21   21   23   42                                       
CONECT   23   22   24   24   43                                       
CONECT   24   19   23   23   44                                       
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45    3                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
