COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -3.816   2.748  -0.249  1.00  0.00           S  
HETATM    2  O   UNL     1      -3.883   0.329   1.179  1.00  0.00           O  
HETATM    3  O   UNL     1      -4.003   3.652  -1.329  1.00  0.00           O  
HETATM    4  O   UNL     1      -4.303   2.993   1.063  1.00  0.00           O  
HETATM    5  O   UNL     1       6.445   0.969   0.554  1.00  0.00           O  
HETATM    6  O   UNL     1       3.758  -1.855  -0.544  1.00  0.00           O  
HETATM    7  N   UNL     1      -4.946  -0.941  -0.301  1.00  0.00           N  
HETATM    8  N   UNL     1      -4.470   1.304  -0.728  1.00  0.00           N  
HETATM    9  N   UNL     1       5.802  -1.113  -0.090  1.00  0.00           N  
HETATM   10  N   UNL     1       3.932   0.278   0.052  1.00  0.00           N  
HETATM   11  C   UNL     1      -7.448  -3.370  -0.052  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.885  -2.104   0.588  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.376  -2.088   0.780  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.271  -3.412  -1.028  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.062  -2.062   1.564  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.957  -3.386  -0.244  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.762  -3.396  -0.837  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.413   0.234   0.089  1.00  0.00           C  
HETATM   19  C   UNL     1       6.533  -2.362  -0.341  1.00  0.00           C  
HETATM   20  C   UNL     1       7.988  -2.047  -0.079  1.00  0.00           C  
HETATM   21  C   UNL     1       8.050  -0.767   0.277  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.077   2.508  -0.097  1.00  0.00           C  
HETATM   23  C   UNL     1       6.706  -0.184   0.272  1.00  0.00           C  
HETATM   24  C   UNL     1       9.314  -0.028   0.632  1.00  0.00           C  
HETATM   25  C   UNL     1       2.139   1.926   0.272  1.00  0.00           C  
HETATM   26  C   UNL     1       0.652   2.131   0.142  1.00  0.00           C  
HETATM   27  C   UNL     1       4.471  -0.930  -0.206  1.00  0.00           C  
HETATM   28  C   UNL     1       2.487   0.477  -0.075  1.00  0.00           C  
HETATM   29  C   UNL     1       9.147  -3.003  -0.198  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.251   2.729  -1.183  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.538   2.104   1.110  1.00  0.00           C  
HETATM   32  C   UNL     1       0.113   2.540  -1.064  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.173   1.916   1.230  1.00  0.00           C  
HETATM   34  C   UNL     1       9.843   0.702  -0.605  1.00  0.00           C  
HETATM   35  H   UNL     1      -5.369  -1.016  -1.171  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.893   1.229  -1.598  1.00  0.00           H  
HETATM   37  H   UNL     1       4.502   1.015   0.321  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.403  -4.235   0.609  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.949  -2.086   1.146  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.421  -1.223   0.118  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.215  -2.058   1.475  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.322  -4.325  -1.621  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.316  -2.546  -1.690  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.017  -2.928   2.225  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.011  -1.149   2.156  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.118  -3.415  -0.940  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.912  -4.251   0.417  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.813  -4.309  -1.429  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.600  -3.366  -0.141  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.807  -2.530  -1.498  1.00  0.00           H  
HETATM   51  H   UNL     1       6.189  -3.142   0.338  1.00  0.00           H  
HETATM   52  H   UNL     1       6.397  -2.676  -1.376  1.00  0.00           H  
HETATM   53  H   UNL     1       9.103   0.697   1.418  1.00  0.00           H  
HETATM   54  H   UNL     1      10.064  -0.737   0.983  1.00  0.00           H  
HETATM   55  H   UNL     1       2.659   2.598  -0.411  1.00  0.00           H  
HETATM   56  H   UNL     1       2.447   2.138   1.296  1.00  0.00           H  
HETATM   57  H   UNL     1       2.179   0.264  -1.099  1.00  0.00           H  
HETATM   58  H   UNL     1       1.966  -0.195   0.608  1.00  0.00           H  
HETATM   59  H   UNL     1       8.781  -3.981  -0.508  1.00  0.00           H  
HETATM   60  H   UNL     1       9.853  -2.627  -0.938  1.00  0.00           H  
HETATM   61  H   UNL     1       9.646  -3.090   0.768  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.671   3.049  -2.125  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.182   1.935   1.960  1.00  0.00           H  
HETATM   64  H   UNL     1       0.758   2.708  -1.914  1.00  0.00           H  
HETATM   65  H   UNL     1       0.247   1.596   2.171  1.00  0.00           H  
HETATM   66  H   UNL     1      10.055  -0.023  -1.391  1.00  0.00           H  
HETATM   67  H   UNL     1       9.094   1.411  -0.957  1.00  0.00           H  
HETATM   68  H   UNL     1      10.757   1.237  -0.348  1.00  0.00           H  
CONECT    1   22    4    4    8                                       
CONECT    1    3    3                                                 
CONECT    2   18   18                                                 
CONECT    3    1    1                                                 
CONECT    4    1    1                                                 
CONECT    5   23   23                                                 
CONECT    6   27   27                                                 
CONECT    7   18   12   35                                            
CONECT    8    1   18   36                                            
CONECT    9   27   19   23                                            
CONECT   10   28   27   37                                            
CONECT   11   13   14   17   38                                       
CONECT   12   15    7   16   39                                       
CONECT   13   15   11   40   41                                       
CONECT   14   16   11   42   43                                       
CONECT   15   12   13   44   45                                       
CONECT   16   12   14   46   47                                       
CONECT   17   11   48   49   50                                       
CONECT   18    8    2    2    7                                       
CONECT   19    9   20   51   52                                       
CONECT   20   19   29   21   21                                       
CONECT   21   20   20   23   24                                       
CONECT   22   31   31   30    1                                       
CONECT   23    9    5    5   21                                       
CONECT   24   21   34   53   54                                       
CONECT   25   28   26   55   56                                       
CONECT   26   25   33   33   32                                       
CONECT   27    6    6   10    9                                       
CONECT   28   25   10   57   58                                       
CONECT   29   20   59   60   61                                       
CONECT   30   32   32   22   62                                       
CONECT   31   33   22   22   63                                       
CONECT   32   26   30   30   64                                       
CONECT   33   26   26   31   65                                       
CONECT   34   24   66   67   68                                       
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
