COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.629  -1.850  -0.019  1.00  0.00           O  
HETATM    2  S   UNL     1       4.950   1.579   0.149  1.00  0.00           S  
HETATM    3  C   UNL     1       6.620   1.137  -0.181  1.00  0.00           C  
HETATM    4  N   UNL     1       1.435  -1.933   0.155  1.00  0.00           N  
HETATM    5  C   UNL     1       6.709  -0.180  -0.399  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.267  -0.317  -0.586  1.00  0.00           N1+
HETATM    7  C   UNL     1       5.519  -0.869  -0.320  1.00  0.00           C  
HETATM    8  C   UNL     1       1.944   0.169   0.400  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.558  -0.498   0.688  1.00  0.00           C  
HETATM   10  C   UNL     1       0.898  -0.774   0.418  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.687  -0.048  -0.324  1.00  0.00           C  
HETATM   12  C   UNL     1       3.057  -0.580   0.110  1.00  0.00           C  
HETATM   13  C   UNL     1       4.437  -0.094  -0.030  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.424   0.140  -1.651  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.817   1.224   0.517  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.297  -1.227   0.437  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.903   0.421  -1.377  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.296   1.505   0.791  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.776  -0.946   0.711  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.034   1.693  -0.536  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.907   0.326   1.551  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.514  -0.758  -0.616  1.00  0.00           C  
HETATM   23  H   UNL     1       1.884   1.233   0.573  1.00  0.00           H  
HETATM   24  H   UNL     1       7.450   1.827  -0.204  1.00  0.00           H  
HETATM   25  H   UNL     1       7.647  -0.667  -0.621  1.00  0.00           H  
HETATM   26  H   UNL     1       5.450  -1.936  -0.475  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.651   0.408   1.287  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.993  -1.338   1.229  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.989   0.980  -2.192  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.331  -0.766  -2.250  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.292   1.090   1.463  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.382   2.064  -0.025  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.204  -2.133  -0.162  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.772  -1.360   1.382  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.429   0.555  -2.322  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.389   2.411   1.390  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.211  -1.786   1.253  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.599   2.533  -1.078  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.087   1.893  -0.341  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.381   0.192   2.497  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.960   0.526   1.747  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.567  -0.558  -0.421  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.421  -1.664  -1.215  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.864   0.460  -1.088  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.181  -1.156  -1.141  1.00  0.00           H  
CONECT    1    4   12                                                 
CONECT    2    3   13                                                 
CONECT    3    2    5    5   24                                       
CONECT    4    1   10   10                                            
CONECT    5    3    3    7   25                                       
CONECT    6    9   11   44   45                                       
CONECT    7    5   13   13   26                                       
CONECT    8   10   12   12   23                                       
CONECT    9    6   10   27   28                                       
CONECT   10    4    4    8    9                                       
CONECT   11    6   14   15   16                                       
CONECT   12    1    8    8   13                                       
CONECT   13    2    7    7   12                                       
CONECT   14   11   17   29   30                                       
CONECT   15   11   18   31   32                                       
CONECT   16   11   19   33   34                                       
CONECT   17   14   20   22   35                                       
CONECT   18   15   20   21   36                                       
CONECT   19   16   21   22   37                                       
CONECT   20   17   18   38   39                                       
CONECT   21   18   19   40   41                                       
CONECT   22   17   19   42   43                                       
CONECT   23    8                                                      
CONECT   24    3                                                      
CONECT   25    5                                                      
CONECT   26    7                                                      
CONECT   27    9                                                      
CONECT   28    9                                                      
CONECT   29   14                                                      
CONECT   30   14                                                      
CONECT   31   15                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
