COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.466   2.052  -0.039  1.00  0.00           C  
HETATM    2  N   UNL     1       7.513   0.750  -0.709  1.00  0.00           N  
HETATM    3  S   UNL     1       6.792  -0.567  -0.011  1.00  0.00           S  
HETATM    4  O   UNL     1       6.981  -1.651  -0.910  1.00  0.00           O  
HETATM    5  O   UNL     1       7.229  -0.594   1.341  1.00  0.00           O  
HETATM    6  C   UNL     1       5.059  -0.252   0.032  1.00  0.00           C  
HETATM    7  C   UNL     1       4.262  -0.636  -1.031  1.00  0.00           C  
HETATM    8  C   UNL     1       2.904  -0.391  -1.003  1.00  0.00           C  
HETATM    9  C   UNL     1       4.500   0.374   1.132  1.00  0.00           C  
HETATM   10  C   UNL     1       3.143   0.623   1.171  1.00  0.00           C  
HETATM   11  C   UNL     1       2.336   0.243   0.100  1.00  0.00           C  
HETATM   12  C   UNL     1       0.877   0.508   0.137  1.00  0.00           C  
HETATM   13  C   UNL     1       0.310   1.143   1.240  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.047   1.389   1.271  1.00  0.00           C  
HETATM   15  C   UNL     1       0.071   0.128  -0.935  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.285   0.376  -0.899  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.847   1.004   0.205  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.184   1.247   0.238  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.948   0.825  -0.893  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.011  -0.603  -0.920  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.593  -1.183   0.248  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.582  -2.708   0.120  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.231  -3.174   0.100  1.00  0.00           O  
HETATM   24  C   UNL     1      -6.036  -0.694   0.395  1.00  0.00           C  
HETATM   25  O   UNL     1      -6.602  -1.228   1.594  1.00  0.00           O  
HETATM   26  C   UNL     1      -6.045   0.836   0.462  1.00  0.00           C  
HETATM   27  O   UNL     1      -7.393   1.305   0.525  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.366   1.395  -0.793  1.00  0.00           C  
HETATM   29  O   UNL     1      -6.115   1.017  -1.949  1.00  0.00           O  
HETATM   30  H   UNL     1       7.990   2.792  -0.644  1.00  0.00           H  
HETATM   31  H   UNL     1       6.428   2.357   0.090  1.00  0.00           H  
HETATM   32  H   UNL     1       0.508  -0.360  -1.794  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.910   0.082  -1.729  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.473   2.267   0.569  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.318   2.482  -0.727  1.00  0.00           H  
HETATM   36  H   UNL     1       7.946   1.976   0.937  1.00  0.00           H  
HETATM   37  H   UNL     1       7.966   0.660  -1.562  1.00  0.00           H  
HETATM   38  H   UNL     1       4.704  -1.127  -1.886  1.00  0.00           H  
HETATM   39  H   UNL     1       5.126   0.668   1.961  1.00  0.00           H  
HETATM   40  H   UNL     1       2.283  -0.692  -1.834  1.00  0.00           H  
HETATM   41  H   UNL     1       2.707   1.111   2.030  1.00  0.00           H  
HETATM   42  H   UNL     1       0.933   1.442   2.071  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.487   1.880   2.126  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.476   1.185  -1.807  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.018  -0.888   1.126  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.105  -3.148   0.969  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.081  -2.999  -0.804  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.622  -1.025  -0.463  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.147  -4.134   0.020  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.518  -0.958   1.750  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.503   1.165   1.348  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.740   1.334  -2.782  1.00  0.00           H  
CONECT    1    2   30   31   36                                       
CONECT    2    1    3   37                                            
CONECT    3    2    4    4    5                                       
CONECT    3    5    6                                                 
CONECT    4    3    3                                                 
CONECT    5    3    3                                                 
CONECT    6    3    7    9    9                                       
CONECT    7    6    8    8   38                                       
CONECT    8    7    7   11   40                                       
CONECT    9    6    6   10   39                                       
CONECT   10    9   11   11   41                                       
CONECT   11    8   10   10   12                                       
CONECT   12   11   13   15   15                                       
CONECT   13   12   14   14   42                                       
CONECT   14   13   13   17   43                                       
CONECT   15   12   12   16   32                                       
CONECT   16   15   17   17   33                                       
CONECT   17   14   16   16   18                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   28   44                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   24   45                                       
CONECT   22   21   23   46   47                                       
CONECT   23   22   49                                                 
CONECT   24   21   25   26   48                                       
CONECT   25   24   50                                                 
CONECT   26   24   27   28   51                                       
CONECT   27   26   34                                                 
CONECT   28   19   26   29   35                                       
CONECT   29   28   52                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   27                                                      
CONECT   35   28                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   24                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   29                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
