COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.396  -0.992   0.453  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.459   0.054  -0.093  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.867  -0.306  -0.574  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.582  -2.107   0.597  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.275  -1.956   1.019  1.00  0.00           C  
HETATM    6  N   UNL     1       4.897  -0.727  -2.483  1.00  0.00           N  
HETATM    7  C   UNL     1       4.061  -0.440  -1.418  1.00  0.00           C  
HETATM    8  N   UNL     1       3.686   0.747  -1.063  1.00  0.00           N  
HETATM    9  CA  UNL     1       2.872   0.834  -0.006  1.00  0.00           C  
HETATM   10  C   UNL     1       2.376   2.119   0.505  1.00  0.00           C  
HETATM   11  O   UNL     1       1.640   2.146   1.473  1.00  0.00           O  
HETATM   12  OXT UNL     1       2.736   3.269  -0.100  1.00  0.00           O  
HETATM   13  C   UNL     1       2.544  -0.349   0.561  1.00  0.00           C  
HETATM   14  C   UNL     1       1.648  -0.535   1.758  1.00  0.00           C  
HETATM   15  C   UNL     1       0.222  -0.697   1.298  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.587   0.416   1.155  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.895   0.271   0.733  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.680  -1.137   0.032  1.00  0.00           O  
HETATM   19  C   UNL     1      -6.689   0.950  -0.706  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.277   1.231  -1.843  1.00  0.00           C  
HETATM   21  S   UNL     1       3.339  -1.634  -0.344  1.00  0.00           S  
HETATM   22  H   UNL     1      -3.989   0.722  -0.814  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.523   0.550   0.875  1.00  0.00           H  
HETATM   24  H   UNL     1      -5.804  -0.803  -1.543  1.00  0.00           H  
HETATM   25  H   UNL     1      -6.337  -0.975   0.147  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.970  -3.091   0.379  1.00  0.00           H  
HETATM   27  H   UNL     1       0.359  -2.823   1.131  1.00  0.00           H  
HETATM   28  H   UNL     1       5.251  -0.008  -3.030  1.00  0.00           H  
HETATM   29  H   UNL     1       5.130  -1.648  -2.682  1.00  0.00           H  
HETATM   30  HXT UNL     1       2.384   4.090   0.272  1.00  0.00           H  
HETATM   31  H   UNL     1       1.955  -1.426   2.307  1.00  0.00           H  
HETATM   32  H   UNL     1       1.724   0.336   2.408  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.196   1.399   1.373  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.526   1.140   0.622  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.794   1.618   0.136  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.866   2.131  -1.938  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.172   0.563  -2.685  1.00  0.00           H  
CONECT    1   17   18    4    4                                       
CONECT    2   18    3   22   23                                       
CONECT    3    2   19   24   25                                       
CONECT    4    1    1    5   26                                       
CONECT    5   15   15    4   27                                       
CONECT    6    7   28   29                                            
CONECT    7    8    8   21    6                                       
CONECT    8    9    7    7                                            
CONECT    9   10   13   13    8                                       
CONECT   10   11   11   12    9                                       
CONECT   11   10   10                                                 
CONECT   12   10   30                                                 
CONECT   13   14    9    9   21                                       
CONECT   14   15   13   31   32                                       
CONECT   15   16   14    5    5                                       
CONECT   16   17   17   15   33                                       
CONECT   17   16   16    1   34                                       
CONECT   18    1    2                                                 
CONECT   19    3   20   20   35                                       
CONECT   20   19   19   36   37                                       
CONECT   21   13    7                                                 
CONECT   22    2                                                      
CONECT   23    2                                                      
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30   12                                                      
CONECT   31   14                                                      
CONECT   32   14                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37   20                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
