COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.013   2.885   2.340  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.881   2.428   1.621  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.199   1.333   2.429  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.128   0.236   2.584  1.00  0.00           O  
HETATM    5  C   UNL     1       1.032   0.761   1.734  1.00  0.00           C  
HETATM    6  O   UNL     1       1.918   0.238   2.725  1.00  0.00           O  
HETATM    7  C   UNL     1       0.447  -0.380   0.926  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.616  -0.910   1.877  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.532  -5.444   0.316  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.384  -5.125   0.960  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.937  -3.909   1.343  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.815  -2.957   0.996  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.023  -3.129   0.339  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.373  -4.431  -0.004  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.580  -4.698  -0.672  1.00  0.00           N  
HETATM   16  N   UNL     1      -3.651  -1.923   0.154  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.841  -1.034   0.689  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.713  -1.611   1.213  1.00  0.00           N  
HETATM   19  O   UNL     1       1.399  -1.370   0.596  1.00  0.00           O  
HETATM   20  P   UNL     1      -2.943   4.058   1.724  1.00  0.00           P  
HETATM   21  O   UNL     1      -4.113   4.459   2.575  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.916   5.264   1.393  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.338   3.483   0.265  1.00  0.00           O  
HETATM   24  P   UNL     1      -4.142   4.155  -0.971  1.00  0.00           P  
HETATM   25  O   UNL     1      -5.546   4.564  -0.613  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.205   5.432  -1.324  1.00  0.00           O  
HETATM   27  S   UNL     1      -4.134   2.828  -2.594  1.00  0.00           S  
HETATM   28  H   UNL     1      -1.204   2.036   0.655  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.195   3.262   1.465  1.00  0.00           H  
HETATM   30  H   UNL     1       0.033   1.713   3.429  1.00  0.00           H  
HETATM   31  H   UNL     1       1.592   1.484   1.136  1.00  0.00           H  
HETATM   32  H   UNL     1       1.488   0.385   3.581  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.005   0.000   0.002  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.213  -1.625   2.603  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.735  -5.961   1.201  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.208  -3.943  -0.874  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.843  -5.648  -0.854  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.013   0.033   0.727  1.00  0.00           H  
HETATM   39  H   UNL     1       2.249  -0.917   0.452  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.277   6.128   1.102  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.549   6.114  -1.939  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.445   2.869  -2.876  1.00  0.00           H  
CONECT    1   20    2                                                 
CONECT    2    1    3   28   29                                       
CONECT    3    2    5    4   30                                       
CONECT    4    3    8                                                 
CONECT    5    3    6    7   31                                       
CONECT    6    5   32                                                 
CONECT    7    5   19    8   33                                       
CONECT    8    4    7   18   34                                       
CONECT    9   10   10   14                                            
CONECT   10    9    9   11   35                                       
CONECT   11   10   12   12                                            
CONECT   12   11   11   18   13                                       
CONECT   13   12   16   14   14                                       
CONECT   14    9   13   13   15                                       
CONECT   15   14   36   37                                            
CONECT   16   13   17   17                                            
CONECT   17   16   16   18   38                                       
CONECT   18    8   12   17                                            
CONECT   19    7   39                                                 
CONECT   20    1   21   21   23                                       
CONECT   20   22                                                      
CONECT   21   20   20                                                 
CONECT   22   20   40                                                 
CONECT   23   20   24                                                 
CONECT   24   23   27   25   25                                       
CONECT   24   26                                                      
CONECT   25   24   24                                                 
CONECT   26   24   41                                                 
CONECT   27   24   42                                                 
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   19                                                      
CONECT   40   22                                                      
CONECT   41   26                                                      
CONECT   42   27                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
