COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.614  -3.476   0.643  1.00  0.00           O  
HETATM    2  S   UNL     1      -1.695  -2.348  -0.218  1.00  0.00           S  
HETATM    3  O   UNL     1      -1.546  -2.488  -1.624  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.343  -1.761  -0.011  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.957  -1.053  -1.027  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.251  -0.592  -0.865  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.930  -0.840   0.313  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.316  -1.549   1.329  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.025  -2.013   1.165  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.653  -0.998   0.401  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.963   0.312  -0.352  1.00  0.00           C  
HETATM   12  C   UNL     1       0.838  -1.275   0.084  1.00  0.00           C  
HETATM   13  C   UNL     1       1.460   0.143   0.101  1.00  0.00           C  
HETATM   14  C   UNL     1       0.380   1.038  -0.542  1.00  0.00           C  
HETATM   15  C   UNL     1       0.345   2.379   0.144  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.550   3.310  -0.242  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.584   4.614   0.425  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.665   5.465  -0.190  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.576   5.975   0.549  1.00  0.00           N  
HETATM   20  O   UNL     1       1.120   2.620   1.045  1.00  0.00           O  
HETATM   21  C   UNL     1       2.726   0.174  -0.716  1.00  0.00           C  
HETATM   22  O   UNL     1       2.804   0.897  -1.687  1.00  0.00           O  
HETATM   23  N   UNL     1       3.771  -0.602  -0.368  1.00  0.00           N  
HETATM   24  C   UNL     1       5.018  -0.589  -1.150  1.00  0.00           C  
HETATM   25  C   UNL     1       6.192  -0.384  -0.186  1.00  0.00           C  
HETATM   26  O   UNL     1       6.112  -1.349   0.865  1.00  0.00           O  
HETATM   27  C   UNL     1       4.939  -1.237   1.674  1.00  0.00           C  
HETATM   28  C   UNL     1       3.703  -1.483   0.809  1.00  0.00           C  
HETATM   29  H   UNL     1      -1.671   5.644  -1.255  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.798  -0.866   1.473  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.427  -0.859  -1.948  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.547  -2.571   1.957  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.730  -0.038  -1.659  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.940  -0.480   0.440  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.847  -1.742   2.249  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.408   0.089  -1.321  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.641   0.929   0.238  1.00  0.00           H  
HETATM   38  H   UNL     1       1.286  -1.903   0.853  1.00  0.00           H  
HETATM   39  H   UNL     1       0.945  -1.732  -0.900  1.00  0.00           H  
HETATM   40  H   UNL     1       0.587   1.167  -1.605  1.00  0.00           H  
HETATM   41  H   UNL     1       1.658   0.460   1.125  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.170   3.117  -0.962  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.792   4.473   1.486  1.00  0.00           H  
HETATM   44  H   UNL     1       0.380   5.109   0.306  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.272   6.523   0.153  1.00  0.00           H  
HETATM   46  H   UNL     1       5.133  -1.539  -1.672  1.00  0.00           H  
HETATM   47  H   UNL     1       4.989   0.226  -1.873  1.00  0.00           H  
HETATM   48  H   UNL     1       2.803  -1.259   1.383  1.00  0.00           H  
HETATM   49  H   UNL     1       3.684  -2.524   0.488  1.00  0.00           H  
HETATM   50  H   UNL     1       7.131  -0.508  -0.725  1.00  0.00           H  
HETATM   51  H   UNL     1       6.144   0.620   0.236  1.00  0.00           H  
HETATM   52  H   UNL     1       4.977  -1.976   2.475  1.00  0.00           H  
HETATM   53  H   UNL     1       4.886  -0.237   2.104  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4   10                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5    9    9                                       
CONECT    5    4    6    6   31                                       
CONECT    6    5    5    7   33                                       
CONECT    7    6    8    8   34                                       
CONECT    8    7    7    9   35                                       
CONECT    9    4    4    8   32                                       
CONECT   10    2   11   12   30                                       
CONECT   11   10   14   36   37                                       
CONECT   12   10   13   38   39                                       
CONECT   13   12   14   21   41                                       
CONECT   14   11   13   15   40                                       
CONECT   15   14   16   20   20                                       
CONECT   16   15   17   42                                            
CONECT   17   16   18   43   44                                       
CONECT   18   17   19   19   29                                       
CONECT   19   18   18   45                                            
CONECT   20   15   15                                                 
CONECT   21   13   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   28                                            
CONECT   24   23   25   46   47                                       
CONECT   25   24   26   50   51                                       
CONECT   26   25   27                                                 
CONECT   27   26   28   52   53                                       
CONECT   28   23   27   48   49                                       
CONECT   29   18                                                      
CONECT   30   10                                                      
CONECT   31    5                                                      
CONECT   32    9                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   13                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
