COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.598  -1.675  -0.667  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.749  -0.820  -0.638  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.062  -0.385  -0.005  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.294   1.133   0.775  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.497   0.530   1.542  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.762   2.319   2.819  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.574  -0.106  -1.980  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.061  -1.265  -3.626  1.00  0.00           C  
HETATM    9  C   UNL     1       4.831   2.269   1.599  1.00  0.00           C  
HETATM   10  C   UNL     1       4.812   0.942   1.212  1.00  0.00           C  
HETATM   11  C   UNL     1       4.260   0.586  -0.004  1.00  0.00           C  
HETATM   12  C   UNL     1       3.728   1.556  -0.830  1.00  0.00           C  
HETATM   13  C   UNL     1       2.856  -2.457   1.393  1.00  0.00           C  
HETATM   14  C   UNL     1       0.585  -0.833   0.111  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.375  -0.079   0.497  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.873  -1.117   1.534  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.615   2.062   1.808  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.854  -0.200  -2.770  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.235  -1.352  -4.351  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.205  -0.375  -4.215  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.000   0.687  -3.354  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.821   0.779  -2.638  1.00  0.00           C  
HETATM   23  C   UNL     1       3.047  -3.959   1.173  1.00  0.00           C  
HETATM   24  C   UNL     1       2.936  -4.689   2.513  1.00  0.00           C  
HETATM   25  C   UNL     1       4.429  -4.214   0.567  1.00  0.00           C  
HETATM   26  C   UNL     1       3.911   5.306  -0.447  1.00  0.00           C  
HETATM   27  C   UNL     1       3.236   4.120  -1.157  1.00  0.00           C  
HETATM   28  C   UNL     1       3.746   2.886  -0.445  1.00  0.00           C  
HETATM   29  C   UNL     1       4.293   3.242   0.774  1.00  0.00           C  
HETATM   30  C   UNL     1       4.191   4.740   0.962  1.00  0.00           C  
HETATM   31  C   UNL     1       3.003  -6.200   2.278  1.00  0.00           C  
HETATM   32  N   UNL     1       2.843  -1.771   0.099  1.00  0.00           N  
HETATM   33  N   UNL     1      -1.752  -0.114   0.163  1.00  0.00           N  
HETATM   34  O   UNL     1       4.107  -1.107  -1.914  1.00  0.00           O  
HETATM   35  O   UNL     1       5.310  -1.739   0.184  1.00  0.00           O  
HETATM   36  O   UNL     1       1.074   0.504   0.236  1.00  0.00           O  
HETATM   37  O   UNL     1      -3.410  -1.214  -0.821  1.00  0.00           O  
HETATM   38  O   UNL     1      -3.983   0.264   0.732  1.00  0.00           O  
HETATM   39  O   UNL     1      -7.291  -0.893   1.586  1.00  0.00           O  
HETATM   40  O   UNL     1      -7.452   1.059   2.878  1.00  0.00           O  
HETATM   41  O   UNL     1       5.414   5.271   1.476  1.00  0.00           O  
HETATM   42  S   UNL     1       4.236  -1.105  -0.499  1.00  0.00           S  
HETATM   43  H   UNL     1       1.192  -2.674  -0.828  1.00  0.00           H  
HETATM   44  H   UNL     1       1.799  -1.205  -1.630  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.078  -1.844  -0.812  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.588   1.657  -0.135  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.440   0.776   1.053  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.359   2.586   3.796  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.429   3.099   2.453  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.331   0.942  -1.805  1.00  0.00           H  
HETATM   51  H   UNL     1       0.234  -0.577  -2.539  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.304  -2.028  -3.732  1.00  0.00           H  
HETATM   53  H   UNL     1       5.262   2.547   2.549  1.00  0.00           H  
HETATM   54  H   UNL     1       5.229   0.185   1.860  1.00  0.00           H  
HETATM   55  H   UNL     1       3.297   1.277  -1.780  1.00  0.00           H  
HETATM   56  H   UNL     1       1.910  -2.283   1.906  1.00  0.00           H  
HETATM   57  H   UNL     1       3.675  -2.072   2.001  1.00  0.00           H  
HETATM   58  H   UNL     1       0.441  -1.262   1.102  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.515  -0.447  -0.519  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.652  -2.131   1.199  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.426  -0.930   2.510  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.780   1.553   2.289  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.289   2.994   1.347  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.395  -2.181  -5.023  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.122  -0.443  -4.781  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.757   1.449  -3.248  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.660   1.611  -1.969  1.00  0.00           H  
HETATM   68  H   UNL     1       2.279  -4.327   0.494  1.00  0.00           H  
HETATM   69  H   UNL     1       3.758  -4.386   3.161  1.00  0.00           H  
HETATM   70  H   UNL     1       1.988  -4.437   2.987  1.00  0.00           H  
HETATM   71  H   UNL     1       4.508  -3.693  -0.388  1.00  0.00           H  
HETATM   72  H   UNL     1       5.198  -3.845   1.246  1.00  0.00           H  
HETATM   73  H   UNL     1       4.565  -5.284   0.410  1.00  0.00           H  
HETATM   74  H   UNL     1       4.842   5.568  -0.951  1.00  0.00           H  
HETATM   75  H   UNL     1       3.243   6.166  -0.393  1.00  0.00           H  
HETATM   76  H   UNL     1       2.152   4.186  -1.055  1.00  0.00           H  
HETATM   77  H   UNL     1       3.517   4.100  -2.210  1.00  0.00           H  
HETATM   78  H   UNL     1       3.365   4.974   1.634  1.00  0.00           H  
HETATM   79  H   UNL     1       2.924  -6.720   3.232  1.00  0.00           H  
HETATM   80  H   UNL     1       2.181  -6.503   1.629  1.00  0.00           H  
HETATM   81  H   UNL     1       3.952  -6.452   1.804  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.474   0.548   0.815  1.00  0.00           H  
HETATM   83  H   UNL     1       1.237   0.944  -0.609  1.00  0.00           H  
HETATM   84  H   UNL     1       5.642   4.951   2.359  1.00  0.00           H  
CONECT    1   14   32   43   44                                       
CONECT    2   14    7   33   45                                       
CONECT    3   33   38   37   37                                       
CONECT    4   15    5   17   46                                       
CONECT    5   39   40    4   47                                       
CONECT    6   40   17   48   49                                       
CONECT    7    2   18   50   51                                       
CONECT    8   18   19   19   52                                       
CONECT    9   29   29   10   53                                       
CONECT   10    9   11   11   54                                       
CONECT   11   10   10   12   42                                       
CONECT   12   28   28   11   55                                       
CONECT   13   23   32   56   57                                       
CONECT   14   36    1    2   58                                       
CONECT   15   38   16    4   59                                       
CONECT   16   39   15   60   61                                       
CONECT   17    6    4   62   63                                       
CONECT   18    7   22   22    8                                       
CONECT   19    8    8   20   64                                       
CONECT   20   21   21   19   65                                       
CONECT   21   22   20   20   66                                       
CONECT   22   18   18   21   67                                       
CONECT   23   24   13   25   68                                       
CONECT   24   31   23   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   41   26   29   78                                       
CONECT   31   24   79   80   81                                       
CONECT   32   13    1   42                                            
CONECT   33    2    3   82                                            
CONECT   34   42   42                                                 
CONECT   35   42   42                                                 
CONECT   36   14   83                                                 
CONECT   37    3    3                                                 
CONECT   38    3   15                                                 
CONECT   39   16    5                                                 
CONECT   40    6    5                                                 
CONECT   41   30   84                                                 
CONECT   42   11   32   34   34                                       
CONECT   42   35   35                                                 
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
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   31                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   33                                                      
CONECT   83   36                                                      
CONECT   84   41                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
