COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.705   2.511  -1.385  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.863   2.374  -0.370  1.00  0.00           C  
HETATM    3  O   UNL     1       3.444  -2.086   0.399  1.00  0.00           O  
HETATM    4  O   UNL     1       3.051  -1.272  -1.944  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.647   0.954   0.212  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.646   1.491  -0.927  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.770  -0.498   0.359  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.720  -1.508   0.327  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.325  -2.832   0.398  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.168   0.841   0.294  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.984  -3.152   0.500  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.030  -2.152   0.532  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.453   0.193   0.495  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.417  -0.822   0.462  1.00  0.00           C  
HETATM   15  C   UNL     1       0.858  -0.091   0.177  1.00  0.00           C  
HETATM   16  C   UNL     1       3.169   0.449  -0.020  1.00  0.00           C  
HETATM   17  C   UNL     1       4.290   1.225   0.061  1.00  0.00           C  
HETATM   18  C   UNL     1       4.192   2.527   0.530  1.00  0.00           C  
HETATM   19  C   UNL     1       2.958   3.023   0.910  1.00  0.00           C  
HETATM   20  C   UNL     1       1.826   2.243   0.831  1.00  0.00           C  
HETATM   21  C   UNL     1       1.906   0.925   0.357  1.00  0.00           C  
HETATM   22  N   UNL     1       1.185  -1.258  -0.279  1.00  0.00           N  
HETATM   23  S   UNL     1       2.836  -1.210  -0.541  1.00  0.00           S  
HETATM   24  H   UNL     1      -4.053   2.271  -2.390  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.781   3.128   0.413  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.095   0.872   1.202  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.488   0.745  -1.706  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.768  -1.261   0.248  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.066  -3.617   0.373  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.681  -4.187   0.555  1.00  0.00           H  
HETATM   31  H   UNL     1       0.016  -2.406   0.612  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.707   1.096   0.742  1.00  0.00           H  
HETATM   33  H   UNL     1       5.248   0.826  -0.239  1.00  0.00           H  
HETATM   34  H   UNL     1       5.073   3.148   0.599  1.00  0.00           H  
HETATM   35  H   UNL     1       2.881   4.036   1.276  1.00  0.00           H  
HETATM   36  H   UNL     1       0.871   2.649   1.132  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.295   3.520  -1.357  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.827   2.442  -0.873  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.057   0.198  -0.458  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.710   2.003  -0.704  1.00  0.00           H  
CONECT    1    6    2   24   37                                       
CONECT    2    1    5   25   38                                       
CONECT    3   23   23                                                 
CONECT    4   23   23                                                 
CONECT    5    2   10   26   39                                       
CONECT    6    1   10   27   40                                       
CONECT    7   10    8    8   14                                       
CONECT    8    7    7    9   28                                       
CONECT    9    8   11   11   29                                       
CONECT   10    6    5    7                                            
CONECT   11    9    9   12   30                                       
CONECT   12   14   14   11   31                                       
CONECT   13   14   15   32                                            
CONECT   14    7   13   12   12                                       
CONECT   15   13   21   22   22                                       
CONECT   16   21   21   17   23                                       
CONECT   17   18   18   16   33                                       
CONECT   18   19   17   17   34                                       
CONECT   19   20   20   18   35                                       
CONECT   20   19   19   21   36                                       
CONECT   21   20   15   16   16                                       
CONECT   22   15   15   23                                            
CONECT   23   22   16    4    4                                       
CONECT   23    3    3                                                 
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   17                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
