COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.415   0.246  -3.373  1.00  0.00           C  
HETATM    2  C   UNL     1       0.422  -0.688   1.666  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.215  -0.359   2.991  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.248   0.556   3.051  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.835   0.860   4.265  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.385   0.244   5.424  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.344  -0.670   5.362  1.00  0.00           C  
HETATM    8  C   UNL     1       0.234  -0.974   4.145  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.163  -1.353  -4.305  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.260   1.097  -4.909  1.00  0.00           O  
HETATM   11  N   UNL     1      -0.686  -0.419  -6.033  1.00  0.00           N  
HETATM   12  S   UNL     1      -1.562  -0.115  -4.661  1.00  0.00           S  
HETATM   13  C   UNL     1       0.099   1.443  -3.001  1.00  0.00           C  
HETATM   14  C   UNL     1       0.991   1.490  -1.945  1.00  0.00           C  
HETATM   15  C   UNL     1       1.331   0.337  -1.321  1.00  0.00           C  
HETATM   16  S   UNL     1       0.369  -0.868  -2.221  1.00  0.00           S  
HETATM   17  S   UNL     1       2.432   0.091   0.032  1.00  0.00           S  
HETATM   18  O   UNL     1       3.307   1.210   0.026  1.00  0.00           O  
HETATM   19  O   UNL     1       2.835  -1.269  -0.039  1.00  0.00           O  
HETATM   20  N   UNL     1       1.542   0.223   1.423  1.00  0.00           N  
HETATM   21  O   UNL     1      -1.960   0.540   6.619  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.288  -0.243   7.607  1.00  0.00           C  
HETATM   23  H   UNL     1       0.786  -1.715   1.683  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.314  -0.577   0.870  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.598   1.035   2.148  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.642   1.575   4.311  1.00  0.00           H  
HETATM   27  H   UNL     1       0.007  -1.151   6.263  1.00  0.00           H  
HETATM   28  H   UNL     1       1.042  -1.690   4.095  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.142  -0.640  -6.860  1.00  0.00           H  
HETATM   30  H   UNL     1       0.282  -0.375  -6.010  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.184   2.347  -3.519  1.00  0.00           H  
HETATM   32  H   UNL     1       1.416   2.431  -1.629  1.00  0.00           H  
HETATM   33  H   UNL     1       1.764   0.904   2.077  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.718  -0.038   8.587  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.406  -1.301   7.372  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.228   0.011   7.613  1.00  0.00           H  
CONECT    1   12   13   13   16                                       
CONECT    2    3   20   23   24                                       
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   25                                       
CONECT    5    4    6    6   26                                       
CONECT    6    5    5    7   21                                       
CONECT    7    6    8    8   27                                       
CONECT    8    3    7    7   28                                       
CONECT    9   12   12                                                 
CONECT   10   12   12                                                 
CONECT   11   12   29   30                                            
CONECT   12    1    9    9   10                                       
CONECT   12   10   11                                                 
CONECT   13    1    1   14   31                                       
CONECT   14   13   15   15   32                                       
CONECT   15   14   14   16   17                                       
CONECT   16    1   15                                                 
CONECT   17   15   18   18   19                                       
CONECT   17   19   20                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20    2   17   33                                            
CONECT   21    6   22                                                 
CONECT   22   21   34   35   36                                       
CONECT   23    2                                                      
CONECT   24    2                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   20                                                      
CONECT   34   22                                                      
CONECT   35   22                                                      
CONECT   36   22                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
