COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      30.205   1.522  34.517  1.00  0.00           C  
HETATM    2  N   UNL     1      28.956   1.677  34.008  1.00  0.00           N  
HETATM    3  C   UNL     1      28.674   2.524  32.854  1.00  0.00           C  
HETATM    4  C   UNL     1      27.895   3.752  33.364  1.00  0.00           C  
HETATM    5  C   UNL     1      27.925   1.675  31.788  1.00  0.00           C  
HETATM    6  C   UNL     1      28.606   4.596  34.417  1.00  0.00           C  
HETATM    7  O   UNL     1      31.108   2.324  34.270  1.00  0.00           O  
HETATM    8  C   UNL     1      30.401   0.350  35.368  1.00  0.00           C  
HETATM    9  C   UNL     1      29.988  -0.946  34.967  1.00  0.00           C  
HETATM   10  C   UNL     1      30.204  -2.065  35.819  1.00  0.00           C  
HETATM   11  C   UNL     1      30.843  -1.866  37.079  1.00  0.00           C  
HETATM   12  C   UNL     1      31.261  -0.556  37.489  1.00  0.00           C  
HETATM   13  C   UNL     1      31.029   0.534  36.619  1.00  0.00           C  
HETATM   14  C   UNL     1      28.687   0.441  31.352  1.00  0.00           C  
HETATM   15  C   UNL     1      30.084   0.449  31.078  1.00  0.00           C  
HETATM   16  C   UNL     1      30.741  -0.745  30.686  1.00  0.00           C  
HETATM   17  C   UNL     1      30.006  -1.950  30.566  1.00  0.00           C  
HETATM   18  C   UNL     1      28.619  -1.963  30.835  1.00  0.00           C  
HETATM   19  C   UNL     1      27.967  -0.772  31.226  1.00  0.00           C  
HETATM   20  N   UNL     1      27.754   5.742  34.774  1.00  0.00           N  
HETATM   21  N   UNL     1      29.813  -3.346  35.463  1.00  0.00           N  
HETATM   22  C   UNL     1      29.247  -3.714  34.157  1.00  0.00           C  
HETATM   23  C   UNL     1      27.715  -3.708  34.212  1.00  0.00           C  
HETATM   24  S   UNL     1      31.493  -1.142  40.068  1.00  0.00           S  
HETATM   25  C   UNL     1      32.479  -2.626  40.157  1.00  0.00           C  
HETATM   26  C   UNL     1      33.950  -2.247  39.949  1.00  0.00           C  
HETATM   27  C   UNL     1      34.157  -1.499  38.620  1.00  0.00           C  
HETATM   28  C   UNL     1      33.384  -0.161  38.560  1.00  0.00           C  
HETATM   29  O   UNL     1      31.829  -0.303  41.174  1.00  0.00           O  
HETATM   30  O   UNL     1      30.117  -1.554  39.990  1.00  0.00           O  
HETATM   31  C   UNL     1      28.385   6.953  35.367  1.00  0.00           C  
HETATM   32  C   UNL     1      28.846   6.662  36.818  1.00  0.00           C  
HETATM   33  C   UNL     1      29.656   7.841  37.393  1.00  0.00           C  
HETATM   34  C   UNL     1      30.961   8.051  36.587  1.00  0.00           C  
HETATM   35  C   UNL     1      30.766   7.992  35.074  1.00  0.00           C  
HETATM   36  C   UNL     1      29.557   7.478  34.483  1.00  0.00           C  
HETATM   37  C   UNL     1      31.808   8.455  34.229  1.00  0.00           C  
HETATM   38  C   UNL     1      31.679   8.421  32.820  1.00  0.00           C  
HETATM   39  C   UNL     1      30.502   7.924  32.228  1.00  0.00           C  
HETATM   40  C   UNL     1      29.449   7.457  33.057  1.00  0.00           C  
HETATM   41  N   UNL     1      31.893  -0.300  38.703  1.00  0.00           N  
HETATM   42  O   UNL     1      27.573   4.585  32.271  1.00  0.00           O  
HETATM   43  H   UNL     1      28.198   1.190  34.442  1.00  0.00           H  
HETATM   44  H   UNL     1      29.580   2.900  32.356  1.00  0.00           H  
HETATM   45  H   UNL     1      27.005   3.337  33.861  1.00  0.00           H  
HETATM   46  H   UNL     1      26.967   1.351  32.220  1.00  0.00           H  
HETATM   47  H   UNL     1      27.797   2.309  30.899  1.00  0.00           H  
HETATM   48  H   UNL     1      28.796   3.985  35.312  1.00  0.00           H  
HETATM   49  H   UNL     1      29.564   4.958  34.015  1.00  0.00           H  
HETATM   50  H   UNL     1      27.501   5.484  32.568  1.00  0.00           H  
HETATM   51  H   UNL     1      27.311   6.040  33.928  1.00  0.00           H  
HETATM   52  H   UNL     1      29.507  -1.084  34.010  1.00  0.00           H  
HETATM   53  H   UNL     1      31.338   1.525  36.917  1.00  0.00           H  
HETATM   54  H   UNL     1      31.014  -2.710  37.731  1.00  0.00           H  
HETATM   55  H   UNL     1      30.644  -3.897  35.544  1.00  0.00           H  
HETATM   56  H   UNL     1      30.645   1.367  31.169  1.00  0.00           H  
HETATM   57  H   UNL     1      26.907  -0.787  31.431  1.00  0.00           H  
HETATM   58  H   UNL     1      31.801  -0.736  30.479  1.00  0.00           H  
HETATM   59  H   UNL     1      30.506  -2.860  30.269  1.00  0.00           H  
HETATM   60  H   UNL     1      28.058  -2.881  30.742  1.00  0.00           H  
HETATM   61  H   UNL     1      27.632   7.754  35.402  1.00  0.00           H  
HETATM   62  H   UNL     1      29.583  -2.988  33.402  1.00  0.00           H  
HETATM   63  H   UNL     1      29.589  -4.726  33.894  1.00  0.00           H  
HETATM   64  H   UNL     1      27.385  -3.707  35.261  1.00  0.00           H  
HETATM   65  H   UNL     1      27.334  -2.808  33.707  1.00  0.00           H  
HETATM   66  H   UNL     1      27.327  -4.605  33.707  1.00  0.00           H  
HETATM   67  H   UNL     1      32.352  -3.099  41.142  1.00  0.00           H  
HETATM   68  H   UNL     1      32.160  -3.336  39.380  1.00  0.00           H  
HETATM   69  H   UNL     1      34.269  -1.595  40.776  1.00  0.00           H  
HETATM   70  H   UNL     1      34.545  -3.172  39.922  1.00  0.00           H  
HETATM   71  H   UNL     1      35.230  -1.285  38.506  1.00  0.00           H  
HETATM   72  H   UNL     1      33.775  -2.141  37.813  1.00  0.00           H  
HETATM   73  H   UNL     1      33.744   0.475  39.382  1.00  0.00           H  
HETATM   74  H   UNL     1      33.569   0.268  37.564  1.00  0.00           H  
HETATM   75  H   UNL     1      27.959   6.499  37.448  1.00  0.00           H  
HETATM   76  H   UNL     1      29.488   5.769  36.808  1.00  0.00           H  
HETATM   77  H   UNL     1      29.048   8.756  37.338  1.00  0.00           H  
HETATM   78  H   UNL     1      29.916   7.617  38.438  1.00  0.00           H  
HETATM   79  H   UNL     1      31.363   9.043  36.841  1.00  0.00           H  
HETATM   80  H   UNL     1      31.643   7.231  36.857  1.00  0.00           H  
HETATM   81  H   UNL     1      32.716   8.840  34.669  1.00  0.00           H  
HETATM   82  H   UNL     1      28.546   7.077  32.601  1.00  0.00           H  
HETATM   83  H   UNL     1      32.486   8.777  32.197  1.00  0.00           H  
HETATM   84  H   UNL     1      30.402   7.898  31.153  1.00  0.00           H  
CONECT    1    2    7    7    8                                       
CONECT    2    1    3   43                                            
CONECT    3    2    4    5   44                                       
CONECT    4    3    6   42   45                                       
CONECT    5    3   14   46   47                                       
CONECT    6    4   20   48   49                                       
CONECT    7    1    1                                                 
CONECT    8    1    9   13   13                                       
CONECT    9    8   10   10   52                                       
CONECT   10    9    9   11   21                                       
CONECT   11   10   12   12   54                                       
CONECT   12   11   11   13   41                                       
CONECT   13    8    8   12   53                                       
CONECT   14    5   15   19   19                                       
CONECT   15   14   16   16   56                                       
CONECT   16   15   15   17   58                                       
CONECT   17   16   18   18   59                                       
CONECT   18   17   17   19   60                                       
CONECT   19   14   14   18   57                                       
CONECT   20    6   31   51                                            
CONECT   21   10   22   55                                            
CONECT   22   21   23   62   63                                       
CONECT   23   22   64   65   66                                       
CONECT   24   25   29   29   30                                       
CONECT   24   30   41                                                 
CONECT   25   24   26   67   68                                       
CONECT   26   25   27   69   70                                       
CONECT   27   26   28   71   72                                       
CONECT   28   27   41   73   74                                       
CONECT   29   24   24                                                 
CONECT   30   24   24                                                 
CONECT   31   20   32   36   61                                       
CONECT   32   31   33   75   76                                       
CONECT   33   32   34   77   78                                       
CONECT   34   33   35   79   80                                       
CONECT   35   34   36   37   37                                       
CONECT   36   31   35   40   40                                       
CONECT   37   35   35   38   81                                       
CONECT   38   37   39   39   83                                       
CONECT   39   38   38   40   84                                       
CONECT   40   36   36   39   82                                       
CONECT   41   12   24   28                                            
CONECT   42    4   50                                                 
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50   42                                                      
CONECT   51   20                                                      
CONECT   52    9                                                      
CONECT   53   13                                                      
CONECT   54   11                                                      
CONECT   55   21                                                      
CONECT   56   15                                                      
CONECT   57   19                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   31                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   37                                                      
CONECT   82   40                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
