COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.172   0.355  -0.782  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.269  -0.097  -0.501  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.537  -0.168   0.387  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.163  -0.029   0.872  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.490   1.208   1.755  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.504   2.015  -0.405  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.326  -0.940  -1.777  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.616  -1.943  -1.890  1.00  0.00           C  
HETATM    9  C   UNL     1       6.790   0.708   0.397  1.00  0.00           C  
HETATM   10  C   UNL     1       5.626   1.445   0.301  1.00  0.00           C  
HETATM   11  C   UNL     1       4.430   0.906   0.736  1.00  0.00           C  
HETATM   12  C   UNL     1       4.401  -0.370   1.265  1.00  0.00           C  
HETATM   13  C   UNL     1       2.561   2.056  -2.053  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.211   0.997  -0.659  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.725  -0.400   1.312  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.771  -0.027   2.816  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.123   0.527  -0.565  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.278  -2.090  -1.577  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.490  -2.999  -1.707  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.024  -4.203  -1.215  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.685  -4.353  -0.907  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.814  -3.294  -1.079  1.00  0.00           C  
HETATM   23  C   UNL     1       3.643   1.237  -2.760  1.00  0.00           C  
HETATM   24  C   UNL     1       3.085  -0.141  -3.120  1.00  0.00           C  
HETATM   25  C   UNL     1       4.078   1.960  -4.036  1.00  0.00           C  
HETATM   26  C   UNL     1       7.176  -2.931   1.326  1.00  0.00           C  
HETATM   27  C   UNL     1       5.800  -2.509   1.894  1.00  0.00           C  
HETATM   28  C   UNL     1       5.567  -1.111   1.362  1.00  0.00           C  
HETATM   29  C   UNL     1       6.762  -0.573   0.922  1.00  0.00           C  
HETATM   30  C   UNL     1       7.880  -1.572   1.132  1.00  0.00           C  
HETATM   31  N   UNL     1       2.197   1.402  -0.794  1.00  0.00           N  
HETATM   32  N   UNL     1      -2.577   0.519  -0.264  1.00  0.00           N  
HETATM   33  O   UNL     1       2.103   1.402   1.672  1.00  0.00           O  
HETATM   34  O   UNL     1       3.338   3.200   0.452  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.488   1.761  -1.834  1.00  0.00           O  
HETATM   36  O   UNL     1      -3.318  -1.298   0.777  1.00  0.00           O  
HETATM   37  O   UNL     1      -4.739   0.398   0.605  1.00  0.00           O  
HETATM   38  O   UNL     1      -6.628   1.149   2.898  1.00  0.00           O  
HETATM   39  O   UNL     1      -7.127   2.348   0.947  1.00  0.00           O  
HETATM   40  O   UNL     1       8.645  -1.239   2.293  1.00  0.00           O  
HETATM   41  S   UNL     1       2.944   1.845   0.616  1.00  0.00           S  
HETATM   42  H   UNL     1       1.341  -0.309   0.065  1.00  0.00           H  
HETATM   43  H   UNL     1       1.226  -0.217  -1.709  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.009  -0.734   0.344  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.873  -0.846   0.993  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.541   1.234   2.042  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.950   2.628  -1.115  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.577   2.149  -0.543  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.672  -0.322  -2.605  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.332  -1.326  -2.002  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.980  -1.002  -2.275  1.00  0.00           H  
HETATM   52  H   UNL     1       7.725   1.130   0.057  1.00  0.00           H  
HETATM   53  H   UNL     1       5.651   2.443  -0.112  1.00  0.00           H  
HETATM   54  H   UNL     1       3.466  -0.790   1.605  1.00  0.00           H  
HETATM   55  H   UNL     1       2.940   3.057  -1.846  1.00  0.00           H  
HETATM   56  H   UNL     1       1.681   2.126  -2.694  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.232   1.651   0.213  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.535  -1.464   1.177  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.224  -0.835   3.391  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.767   0.183   3.184  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.120   0.434  -0.982  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.849   0.013  -1.194  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.536  -2.882  -1.948  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.707  -5.028  -1.071  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.321  -5.294  -0.522  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.768  -3.409  -0.835  1.00  0.00           H  
HETATM   67  H   UNL     1       4.501   1.121  -2.098  1.00  0.00           H  
HETATM   68  H   UNL     1       3.810  -0.678  -3.732  1.00  0.00           H  
HETATM   69  H   UNL     1       2.893  -0.705  -2.207  1.00  0.00           H  
HETATM   70  H   UNL     1       2.155  -0.023  -3.676  1.00  0.00           H  
HETATM   71  H   UNL     1       4.475   2.943  -3.780  1.00  0.00           H  
HETATM   72  H   UNL     1       4.849   1.377  -4.539  1.00  0.00           H  
HETATM   73  H   UNL     1       3.220   2.077  -4.698  1.00  0.00           H  
HETATM   74  H   UNL     1       7.720  -3.544   2.045  1.00  0.00           H  
HETATM   75  H   UNL     1       7.059  -3.459   0.380  1.00  0.00           H  
HETATM   76  H   UNL     1       5.021  -3.184   1.540  1.00  0.00           H  
HETATM   77  H   UNL     1       5.827  -2.500   2.984  1.00  0.00           H  
HETATM   78  H   UNL     1       8.522  -1.600   0.251  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.752   1.421  -0.575  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.531   1.235  -2.645  1.00  0.00           H  
HETATM   81  H   UNL     1       9.110  -0.394   2.228  1.00  0.00           H  
CONECT    1   14   31   42   43                                       
CONECT    2   14    7   32   44                                       
CONECT    3   32   37   36   36                                       
CONECT    4   15    5   17   45                                       
CONECT    5   38   39    4   46                                       
CONECT    6   39   17   47   48                                       
CONECT    7    2   18   49   50                                       
CONECT    8   18   18   19   51                                       
CONECT    9   29   29   10   52                                       
CONECT   10    9   11   11   53                                       
CONECT   11   10   10   12   41                                       
CONECT   12   28   28   11   54                                       
CONECT   13   23   31   55   56                                       
CONECT   14   35    1    2   57                                       
CONECT   15   37   16    4   58                                       
CONECT   16   38   15   59   60                                       
CONECT   17    6    4   61   62                                       
CONECT   18    7    8    8   22                                       
CONECT   19    8   20   20   63                                       
CONECT   20   19   19   21   64                                       
CONECT   21   22   22   20   65                                       
CONECT   22   18   21   21   66                                       
CONECT   23   24   13   25   67                                       
CONECT   24   23   68   69   70                                       
CONECT   25   23   71   72   73                                       
CONECT   26   30   27   74   75                                       
CONECT   27   26   28   76   77                                       
CONECT   28   29   27   12   12                                       
CONECT   29   30    9    9   28                                       
CONECT   30   40   26   29   78                                       
CONECT   31   13    1   41                                            
CONECT   32    2    3   79                                            
CONECT   33   41   41                                                 
CONECT   34   41   41                                                 
CONECT   35   14   80                                                 
CONECT   36    3    3                                                 
CONECT   37    3   15                                                 
CONECT   38   16    5                                                 
CONECT   39    6    5                                                 
CONECT   40   30   81                                                 
CONECT   41   11   31   34   34                                       
CONECT   41   33   33                                                 
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
CONECT   78   30                                                      
CONECT   79   32                                                      
CONECT   80   35                                                      
CONECT   81   40                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
