COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.843   1.730  -3.316  1.00  0.00           O  
HETATM    2  C   UNL     1      -8.224   1.620  -2.965  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.943   1.708  -2.298  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.380   1.577  -0.988  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.464   1.555   0.046  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.112   1.663  -0.225  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.674   1.794  -1.530  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.586   1.811  -2.567  1.00  0.00           C  
HETATM    9  S   UNL     1      -2.945   1.635   1.095  1.00  0.00           S  
HETATM   10  O   UNL     1      -1.836   2.412   0.667  1.00  0.00           O  
HETATM   11  O   UNL     1      -3.676   1.912   2.282  1.00  0.00           O  
HETATM   12  N   UNL     1      -2.400   0.078   1.235  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.006  -0.826   2.216  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.728  -1.961   1.487  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.424  -2.892   2.503  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.803  -1.422   0.646  1.00  0.00           N  
HETATM   17  C   UNL     1      -6.005  -1.588   1.226  1.00  0.00           C  
HETATM   18  O   UNL     1      -7.061  -1.228   0.750  1.00  0.00           O  
HETATM   19  C   UNL     1      -5.847  -2.291   2.559  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.312  -0.397   0.377  1.00  0.00           C  
HETATM   21  C   UNL     1       0.020  -0.251   1.115  1.00  0.00           C  
HETATM   22  O   UNL     1       0.031  -1.116   2.253  1.00  0.00           O  
HETATM   23  C   UNL     1       1.168  -0.629   0.176  1.00  0.00           C  
HETATM   24  N   UNL     1       2.447  -0.376   0.843  1.00  0.00           N  
HETATM   25  C   UNL     1       3.555  -0.142   0.111  1.00  0.00           C  
HETATM   26  O   UNL     1       3.491  -0.141  -1.103  1.00  0.00           O  
HETATM   27  O   UNL     1       4.731   0.090   0.723  1.00  0.00           O  
HETATM   28  C   UNL     1       7.179  -0.150   0.562  1.00  0.00           C  
HETATM   29  C   UNL     1       5.881   0.334  -0.128  1.00  0.00           C  
HETATM   30  C   UNL     1       6.097   1.848  -0.322  1.00  0.00           C  
HETATM   31  C   UNL     1       7.618   2.081  -0.337  1.00  0.00           C  
HETATM   32  O   UNL     1       7.982   2.836   0.838  1.00  0.00           O  
HETATM   33  C   UNL     1       9.348   2.474   1.128  1.00  0.00           C  
HETATM   34  C   UNL     1       9.416   0.952   0.871  1.00  0.00           C  
HETATM   35  C   UNL     1       8.276   0.689  -0.135  1.00  0.00           C  
HETATM   36  C   UNL     1       1.065  -2.112  -0.184  1.00  0.00           C  
HETATM   37  C   UNL     1       1.836  -2.357  -2.553  1.00  0.00           C  
HETATM   38  C   UNL     1       2.804  -2.673  -3.488  1.00  0.00           C  
HETATM   39  C   UNL     1       4.054  -3.093  -3.074  1.00  0.00           C  
HETATM   40  C   UNL     1       4.336  -3.197  -1.724  1.00  0.00           C  
HETATM   41  C   UNL     1       3.369  -2.881  -0.789  1.00  0.00           C  
HETATM   42  C   UNL     1       2.120  -2.456  -1.204  1.00  0.00           C  
HETATM   43  H   UNL     1      -8.392   0.676  -2.445  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.500   2.448  -2.312  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.832   1.650  -3.868  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.436   1.494  -0.776  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.803   1.453   1.066  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.618   1.879  -1.739  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.244   1.909  -3.587  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.228  -1.242   2.856  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.722  -0.273   2.825  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.022  -2.527   0.879  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.448  -3.919   2.139  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.938  -2.838   3.478  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.665  -1.001  -0.216  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.591  -3.080   2.665  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.927  -1.577   3.379  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.476  -1.445   0.127  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.286   0.195  -0.539  1.00  0.00           H  
HETATM   60  H   UNL     1       0.143   0.781   1.442  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.074  -2.053   2.036  1.00  0.00           H  
HETATM   62  H   UNL     1       1.107  -0.029  -0.732  1.00  0.00           H  
HETATM   63  H   UNL     1       2.498  -0.377   1.812  1.00  0.00           H  
HETATM   64  H   UNL     1       7.151   0.064   1.631  1.00  0.00           H  
HETATM   65  H   UNL     1       7.339  -1.214   0.388  1.00  0.00           H  
HETATM   66  H   UNL     1       5.753  -0.162  -1.091  1.00  0.00           H  
HETATM   67  H   UNL     1       5.662   2.169  -1.268  1.00  0.00           H  
HETATM   68  H   UNL     1       5.644   2.398   0.503  1.00  0.00           H  
HETATM   69  H   UNL     1       7.946   2.557  -1.260  1.00  0.00           H  
HETATM   70  H   UNL     1      10.031   3.002   0.462  1.00  0.00           H  
HETATM   71  H   UNL     1       9.587   2.695   2.168  1.00  0.00           H  
HETATM   72  H   UNL     1      10.378   0.681   0.436  1.00  0.00           H  
HETATM   73  H   UNL     1       9.247   0.401   1.796  1.00  0.00           H  
HETATM   74  H   UNL     1       8.619   0.242  -1.068  1.00  0.00           H  
HETATM   75  H   UNL     1       1.215  -2.715   0.711  1.00  0.00           H  
HETATM   76  H   UNL     1       0.078  -2.318  -0.600  1.00  0.00           H  
HETATM   77  H   UNL     1       0.859  -2.030  -2.876  1.00  0.00           H  
HETATM   78  H   UNL     1       2.584  -2.591  -4.542  1.00  0.00           H  
HETATM   79  H   UNL     1       4.811  -3.339  -3.804  1.00  0.00           H  
HETATM   80  H   UNL     1       5.313  -3.526  -1.401  1.00  0.00           H  
HETATM   81  H   UNL     1       3.589  -2.963   0.265  1.00  0.00           H  
CONECT    1    2    3                                                 
CONECT    2    1   43   44   45                                       
CONECT    3    1    4    4    8                                       
CONECT    4    3    3    5   46                                       
CONECT    5    4    6    6   47                                       
CONECT    6    5    5    9    7                                       
CONECT    7    6    8    8   48                                       
CONECT    8    3    7    7   49                                       
CONECT    9    6   11   11   12                                       
CONECT    9   10   10                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9   13   20                                            
CONECT   13   12   14   50   51                                       
CONECT   14   13   16   15   52                                       
CONECT   15   14   19   53   54                                       
CONECT   16   14   17   55                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   15   17   56   57                                       
CONECT   20   12   21   58   59                                       
CONECT   21   20   23   22   60                                       
CONECT   22   21   61                                                 
CONECT   23   21   24   36   62                                       
CONECT   24   23   25   63                                            
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   29                                                 
CONECT   28   29   35   64   65                                       
CONECT   29   27   28   30   66                                       
CONECT   30   29   31   67   68                                       
CONECT   31   30   35   32   69                                       
CONECT   32   31   33                                                 
CONECT   33   32   34   70   71                                       
CONECT   34   33   35   72   73                                       
CONECT   35   28   31   34   74                                       
CONECT   36   23   42   75   76                                       
CONECT   37   42   42   38   77                                       
CONECT   38   37   39   39   78                                       
CONECT   39   38   38   40   79                                       
CONECT   40   39   41   41   80                                       
CONECT   41   40   40   42   81                                       
CONECT   42   36   37   37   41                                       
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   33                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
