COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.986   1.510  -0.233  1.00  0.00           C  
HETATM    2  C   UNL     1       4.633   2.212  -0.108  1.00  0.00           C  
HETATM    3  C   UNL     1       3.534   1.181  -0.061  1.00  0.00           C  
HETATM    4  O   UNL     1       3.808   0.001  -0.122  1.00  0.00           O  
HETATM    5  N   UNL     1       2.249   1.570   0.048  1.00  0.00           N  
HETATM    6  C   UNL     1       1.236   0.619   0.091  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.023   1.024   0.199  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.020   0.155   0.243  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.327   0.592   0.355  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.389   2.060   0.410  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.844   2.498   0.594  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.636   1.963  -0.470  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.600   0.536  -0.553  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.152   0.078  -0.748  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.729  -1.232   0.173  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.615  -2.381   0.199  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.010  -3.549   0.114  1.00  0.00           C  
HETATM   18  S   UNL     1       0.729  -3.361  -0.009  1.00  0.00           S  
HETATM   19  C   UNL     1       0.612  -1.608   0.060  1.00  0.00           C  
HETATM   20  N   UNL     1       1.555  -0.658   0.018  1.00  0.00           N  
HETATM   21  H   UNL     1       6.780   2.256  -0.267  1.00  0.00           H  
HETATM   22  H   UNL     1       6.137   0.857   0.626  1.00  0.00           H  
HETATM   23  H   UNL     1       6.005   0.918  -1.148  1.00  0.00           H  
HETATM   24  H   UNL     1       4.614   2.804   0.807  1.00  0.00           H  
HETATM   25  H   UNL     1       4.481   2.866  -0.967  1.00  0.00           H  
HETATM   26  H   UNL     1       2.030   2.514   0.097  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.792   2.418   1.250  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.998   2.476  -0.518  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.218   2.127   1.548  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.902   3.586   0.579  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.996   0.107   0.368  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.203   0.205  -1.398  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.773   0.462  -1.695  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.112  -1.012  -0.754  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.688  -2.287   0.283  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.520  -4.501   0.119  1.00  0.00           H  
CONECT    1    2   21   22   23                                       
CONECT    2    1    3   24   25                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   26                                            
CONECT    6    5    7    7   20                                       
CONECT    7    6    6    8                                            
CONECT    8    7    9   15   15                                       
CONECT    9    8   10   14                                            
CONECT   10    9   11   27   28                                       
CONECT   11   10   12   29   30                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   31   32                                       
CONECT   14    9   13   33   34                                       
CONECT   15    8    8   16   19                                       
CONECT   16   15   17   17   35                                       
CONECT   17   16   16   18   36                                       
CONECT   18   17   19                                                 
CONECT   19   15   18   20   20                                       
CONECT   20    6   19   19                                            
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    2                                                      
CONECT   26    5                                                      
CONECT   27   10                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
