COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.146  -2.264   0.266  1.00  0.00           C  
HETATM    2  N   UNL     1       8.224  -1.645  -0.236  1.00  0.00           N  
HETATM    3  O   UNL     1       6.900  -3.437   0.063  1.00  0.00           O  
HETATM    4  S   UNL     1       6.377   0.904  -1.319  1.00  0.00           S  
HETATM    5  C   UNL     1       8.217  -0.240   0.201  1.00  0.00           C  
HETATM    6  N   UNL     1       6.367  -1.473   1.017  1.00  0.00           N  
HETATM    7  O   UNL     1      -0.510   0.456   0.633  1.00  0.00           O  
HETATM    8  S   UNL     1      -6.886   0.254   0.227  1.00  0.00           S  
HETATM    9  C   UNL     1       8.180   0.676  -1.038  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.351   2.336  -0.193  1.00  0.00           N  
HETATM   11  O   UNL     1      -7.078  -0.106   1.588  1.00  0.00           O  
HETATM   12  C   UNL     1       6.948  -0.122   1.054  1.00  0.00           C  
HETATM   13  N   UNL     1      -6.945  -1.155  -0.642  1.00  0.00           N  
HETATM   14  O   UNL     1      -7.717   1.181  -0.457  1.00  0.00           O  
HETATM   15  C   UNL     1       5.933   0.882   0.473  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.873  -4.729  -0.502  1.00  0.00           N  
HETATM   17  C   UNL     1       4.500   0.389   0.683  1.00  0.00           C  
HETATM   18  C   UNL     1       3.517   1.461   0.210  1.00  0.00           C  
HETATM   19  C   UNL     1       2.084   0.967   0.420  1.00  0.00           C  
HETATM   20  C   UNL     1       1.100   2.039  -0.053  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.311   1.553   0.154  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.659   1.848  -0.092  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.616   2.222  -1.026  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.904   1.734  -0.926  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.001   0.984   0.941  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.292   0.504   1.038  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.241   0.874   0.103  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.159  -2.314  -0.212  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.661  -3.567  -0.933  1.00  0.00           C  
HETATM   30  H   UNL     1       8.899  -2.057  -0.796  1.00  0.00           H  
HETATM   31  H   UNL     1       9.102  -0.027   0.801  1.00  0.00           H  
HETATM   32  H   UNL     1       5.549  -1.746   1.461  1.00  0.00           H  
HETATM   33  H   UNL     1       8.646   0.188  -1.893  1.00  0.00           H  
HETATM   34  H   UNL     1       8.662   1.631  -0.827  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.194   3.238  -0.513  1.00  0.00           H  
HETATM   36  H   UNL     1       7.210   0.149   2.076  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.500  -1.213  -1.435  1.00  0.00           H  
HETATM   38  H   UNL     1       6.071   1.870   0.913  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.186  -5.570  -0.964  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.888  -4.576  -0.657  1.00  0.00           H  
HETATM   41  H   UNL     1       4.344  -0.526   0.111  1.00  0.00           H  
HETATM   42  H   UNL     1       4.337   0.188   1.742  1.00  0.00           H  
HETATM   43  H   UNL     1       3.673   2.375   0.781  1.00  0.00           H  
HETATM   44  H   UNL     1       3.680   1.662  -0.849  1.00  0.00           H  
HETATM   45  H   UNL     1       1.927   0.052  -0.152  1.00  0.00           H  
HETATM   46  H   UNL     1       1.921   0.766   1.479  1.00  0.00           H  
HETATM   47  H   UNL     1       1.257   2.954   0.518  1.00  0.00           H  
HETATM   48  H   UNL     1       1.264   2.240  -1.112  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.353   2.894  -1.829  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.649   2.025  -1.652  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.258   0.687   1.666  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.559  -0.168   1.840  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.109  -2.152  -0.455  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.267  -2.447   0.865  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.554  -3.434  -2.009  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.712  -3.730  -0.690  1.00  0.00           H  
CONECT    1    6    3    3    2                                       
CONECT    2    1    5   30                                            
CONECT    3    1    1                                                 
CONECT    4   15    9                                                 
CONECT    5   12    9    2   31                                       
CONECT    6   12    1   32                                            
CONECT    7   21   21                                                 
CONECT    8   13   14   14   11                                       
CONECT    8   11   27                                                 
CONECT    9    4    5   33   34                                       
CONECT   10   22   21   35                                            
CONECT   11    8    8                                                 
CONECT   12   15    6    5   36                                       
CONECT   13   28    8   37                                            
CONECT   14    8    8                                                 
CONECT   15   17   12    4   38                                       
CONECT   16   29   39   40                                            
CONECT   17   18   15   41   42                                       
CONECT   18   19   17   43   44                                       
CONECT   19   20   18   45   46                                       
CONECT   20   21   19   47   48                                       
CONECT   21    7    7   10   20                                       
CONECT   22   23   23   25   10                                       
CONECT   23   24   22   22   49                                       
CONECT   24   27   27   23   50                                       
CONECT   25   26   26   22   51                                       
CONECT   26   27   25   25   52                                       
CONECT   27    8   24   24   26                                       
CONECT   28   29   13   53   54                                       
CONECT   29   16   28   55   56                                       
CONECT   30    2                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
