COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.843  -1.597  -1.826  1.00  0.00           C  
HETATM    2  C   UNL     1       3.271  -0.187   0.645  1.00  0.00           C  
HETATM    3  C   UNL     1       3.223   1.191   0.817  1.00  0.00           C  
HETATM    4  C   UNL     1       2.030   1.865   0.664  1.00  0.00           C  
HETATM    5  C   UNL     1       0.871   1.162   0.338  1.00  0.00           C  
HETATM    6  C   UNL     1       0.921  -0.221   0.166  1.00  0.00           C  
HETATM    7  C   UNL     1       2.116  -0.890   0.320  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.415   1.884   0.174  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.580   1.189  -0.147  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.767   1.919  -0.290  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.027   1.239  -0.627  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.199  -0.067  -0.307  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.147  -2.539   0.525  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.308  -0.947  -0.693  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.735   3.307  -0.106  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.475   3.267   0.344  1.00  0.00           C  
HETATM   17  N   UNL     1       4.481  -0.866   0.794  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.911  -3.711   1.047  1.00  0.00           N  
HETATM   19  N   UNL     1      -5.227  -2.188  -0.242  1.00  0.00           N  
HETATM   20  N   UNL     1      -1.610   3.921   0.196  1.00  0.00           N  
HETATM   21  O   UNL     1       6.698  -1.583   0.091  1.00  0.00           O  
HETATM   22  O   UNL     1       5.790   0.598  -0.643  1.00  0.00           O  
HETATM   23  O   UNL     1      -6.237  -0.563  -1.378  1.00  0.00           O  
HETATM   24  S   UNL     1       5.625  -0.793  -0.401  1.00  0.00           S  
HETATM   25  S   UNL     1      -3.129  -1.096   0.664  1.00  0.00           S  
HETATM   26  H   UNL     1       3.893  -1.109  -2.044  1.00  0.00           H  
HETATM   27  H   UNL     1       5.498  -1.519  -2.693  1.00  0.00           H  
HETATM   28  H   UNL     1       4.666  -2.649  -1.598  1.00  0.00           H  
HETATM   29  H   UNL     1       4.121   1.735   1.070  1.00  0.00           H  
HETATM   30  H   UNL     1       1.992   2.936   0.798  1.00  0.00           H  
HETATM   31  H   UNL     1       0.024  -0.767  -0.086  1.00  0.00           H  
HETATM   32  H   UNL     1       2.156  -1.961   0.187  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.568   0.118  -0.282  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.815   1.781  -1.129  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.644   3.881  -0.214  1.00  0.00           H  
HETATM   36  H   UNL     1       0.423   3.812   0.596  1.00  0.00           H  
HETATM   37  H   UNL     1       4.653  -1.382   1.598  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.112  -3.854   1.577  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.920  -2.835  -0.447  1.00  0.00           H  
CONECT    1   24   26   27   28                                       
CONECT    2    3   17    7    7                                       
CONECT    3    4    4    2   29                                       
CONECT    4    3    3    5   30                                       
CONECT    5    4    8    6    6                                       
CONECT    6    5    5    7   31                                       
CONECT    7    2    2    6   32                                       
CONECT    8    9    5   16   16                                       
CONECT    9   10   10    8   33                                       
CONECT   10   11    9    9   15                                       
CONECT   11   12   12   10   34                                       
CONECT   12   25   14   11   11                                       
CONECT   13   18   18   19   25                                       
CONECT   14   19   23   23   12                                       
CONECT   15   10   20   20   35                                       
CONECT   16    8    8   20   36                                       
CONECT   17    2   24   37                                            
CONECT   18   13   13   38                                            
CONECT   19   13   14   39                                            
CONECT   20   15   15   16                                            
CONECT   21   24   24                                                 
CONECT   22   24   24                                                 
CONECT   23   14   14                                                 
CONECT   24   17   21   21   22                                       
CONECT   24   22    1                                                 
CONECT   25   13   12                                                 
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
