COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.534  -1.872  -0.338  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.523  -2.473   0.353  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.334  -2.826   1.501  1.00  0.00           O  
HETATM    4  N   UNL     1      -4.720  -2.683  -0.228  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.847  -3.237   0.538  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.070  -2.339   0.319  1.00  0.00           C  
HETATM    7  O   UNL     1      -7.281  -2.165  -1.084  1.00  0.00           O  
HETATM    8  C   UNL     1      -6.207  -1.507  -1.760  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.942  -2.358  -1.646  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.270  -1.544   0.326  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.660  -0.330  -0.327  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.029   0.015  -1.429  1.00  0.00           O  
HETATM   13  N   UNL     1       0.296   0.371   0.314  1.00  0.00           N  
HETATM   14  C   UNL     1       0.814   1.609  -0.272  1.00  0.00           C  
HETATM   15  C   UNL     1       2.227   1.869   0.251  1.00  0.00           C  
HETATM   16  C   UNL     1       3.165   0.765  -0.242  1.00  0.00           C  
HETATM   17  S   UNL     1       4.841   1.074   0.379  1.00  0.00           S  
HETATM   18  O   UNL     1       5.396   2.229  -0.235  1.00  0.00           O  
HETATM   19  O   UNL     1       4.892   0.897   1.788  1.00  0.00           O  
HETATM   20  C   UNL     1       5.799  -0.260  -0.261  1.00  0.00           C  
HETATM   21  C   UNL     1       6.419  -0.139  -1.490  1.00  0.00           C  
HETATM   22  C   UNL     1       7.170  -1.185  -1.992  1.00  0.00           C  
HETATM   23  C   UNL     1       7.302  -2.352  -1.263  1.00  0.00           C  
HETATM   24  C   UNL     1       6.683  -2.473  -0.033  1.00  0.00           C  
HETATM   25  C   UNL     1       5.936  -1.425   0.470  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.097   2.776   0.116  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.477   2.577  -0.513  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.374   3.727  -0.131  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.429   4.855  -0.928  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.251   5.909  -0.578  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.018   5.836   0.570  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.964   4.707   1.366  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.145   3.651   1.014  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.308  -2.727   0.203  1.00  0.00           C  
HETATM   35  C   UNL     1       0.962  -2.437   1.006  1.00  0.00           C  
HETATM   36  C   UNL     1       0.616  -2.350   2.494  1.00  0.00           C  
HETATM   37  C   UNL     1       1.975  -3.561   0.783  1.00  0.00           C  
HETATM   38  H   UNL     1      -2.658  -1.660  -1.277  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.067  -4.247   0.190  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.594  -3.261   1.598  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.949  -2.805   0.765  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.897  -1.368   0.785  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.465  -1.375  -2.811  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.030  -0.534  -1.302  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.089  -1.799  -2.032  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.068  -3.277  -2.218  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.457  -1.335   1.379  1.00  0.00           H  
HETATM   48  H   UNL     1       0.641   0.055   1.164  1.00  0.00           H  
HETATM   49  H   UNL     1       0.840   1.514  -1.358  1.00  0.00           H  
HETATM   50  H   UNL     1       2.579   2.834  -0.114  1.00  0.00           H  
HETATM   51  H   UNL     1       2.814  -0.200   0.124  1.00  0.00           H  
HETATM   52  H   UNL     1       6.316   0.773  -2.059  1.00  0.00           H  
HETATM   53  H   UNL     1       7.654  -1.090  -2.953  1.00  0.00           H  
HETATM   54  H   UNL     1       7.889  -3.170  -1.656  1.00  0.00           H  
HETATM   55  H   UNL     1       6.786  -3.386   0.536  1.00  0.00           H  
HETATM   56  H   UNL     1       5.455  -1.518   1.433  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.193   2.817   1.201  1.00  0.00           H  
HETATM   58  H   UNL     1       0.336   3.710  -0.245  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.380   2.537  -1.598  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.909   1.644  -0.152  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.829   4.912  -1.825  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.293   6.791  -1.200  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.660   6.660   0.844  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.563   4.650   2.263  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.105   2.768   1.634  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.786  -3.626   0.592  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.049  -2.878  -0.845  1.00  0.00           H  
HETATM   68  H   UNL     1       1.391  -1.490   0.677  1.00  0.00           H  
HETATM   69  H   UNL     1       1.504  -2.063   3.057  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.165  -1.604   2.643  1.00  0.00           H  
HETATM   71  H   UNL     1       0.263  -3.320   2.842  1.00  0.00           H  
HETATM   72  H   UNL     1       2.221  -3.623  -0.277  1.00  0.00           H  
HETATM   73  H   UNL     1       2.879  -3.354   1.355  1.00  0.00           H  
HETATM   74  H   UNL     1       1.546  -4.508   1.112  1.00  0.00           H  
HETATM   75  H   UNL     1       2.216   1.876   1.341  1.00  0.00           H  
HETATM   76  H   UNL     1       3.177   0.759  -1.332  1.00  0.00           H  
CONECT    1    2   10   38                                            
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    9                                            
CONECT    5    4    6   39   40                                       
CONECT    6    5    7   41   42                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   43   44                                       
CONECT    9    4    8   45   46                                       
CONECT   10    1   11   34   47                                       
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   48                                            
CONECT   14   13   15   26   49                                       
CONECT   15   14   16   50   75                                       
CONECT   16   15   17   51   76                                       
CONECT   17   16   18   18   19                                       
CONECT   17   19   20                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   17   21   21   25                                       
CONECT   21   20   20   22   52                                       
CONECT   22   21   23   23   53                                       
CONECT   23   22   22   24   54                                       
CONECT   24   23   25   25   55                                       
CONECT   25   20   24   24   56                                       
CONECT   26   14   27   57   58                                       
CONECT   27   26   28   59   60                                       
CONECT   28   27   29   29   33                                       
CONECT   29   28   28   30   61                                       
CONECT   30   29   31   31   62                                       
CONECT   31   30   30   32   63                                       
CONECT   32   31   33   33   64                                       
CONECT   33   28   32   32   65                                       
CONECT   34   10   35   66   67                                       
CONECT   35   34   36   37   68                                       
CONECT   36   35   69   70   71                                       
CONECT   37   35   72   73   74                                       
CONECT   38    1                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
CONECT   75   15                                                      
CONECT   76   16                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
