COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.867  -4.411 -10.320  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.528  -3.397  -9.565  1.00  0.00           O  
HETATM    3  C   UNL     1      -0.731  -2.560  -8.833  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.752  -1.192  -9.084  1.00  0.00           C  
HETATM    5  C   UNL     1       0.060  -0.339  -8.337  1.00  0.00           C  
HETATM    6  C   UNL     1       0.890  -0.858  -7.343  1.00  0.00           C  
HETATM    7  C   UNL     1       0.907  -2.231  -7.096  1.00  0.00           C  
HETATM    8  C   UNL     1       0.095  -3.084  -7.843  1.00  0.00           C  
HETATM    9  C   UNL     1       1.772  -2.773  -6.060  1.00  0.00           C  
HETATM   10  O   UNL     1       2.808  -2.172  -5.725  1.00  0.00           O  
HETATM   11  N   UNL     1       1.369  -3.971  -5.458  1.00  0.00           N  
HETATM   12  C   UNL     1       2.108  -4.621  -4.399  1.00  0.00           C  
HETATM   13  C   UNL     1       3.140  -5.613  -4.929  1.00  0.00           C  
HETATM   14  C   UNL     1       2.536  -6.757  -5.740  1.00  0.00           C  
HETATM   15  N   UNL     1       3.550  -7.674  -6.259  1.00  0.00           N  
HETATM   16  C   UNL     1       4.263  -8.338  -5.162  1.00  0.00           C  
HETATM   17  C   UNL     1       5.325  -9.301  -5.704  1.00  0.00           C  
HETATM   18  N   UNL     1       4.721 -10.295  -6.600  1.00  0.00           N  
HETATM   19  C   UNL     1       4.007  -9.630  -7.697  1.00  0.00           C  
HETATM   20  C   UNL     1       2.945  -8.668  -7.153  1.00  0.00           C  
HETATM   21  C   UNL     1       5.736 -11.209  -7.120  1.00  0.00           C  
HETATM   22  C   UNL     1       6.397 -12.037  -6.020  1.00  0.00           C  
HETATM   23  C   UNL     1       5.417 -12.889  -5.216  1.00  0.00           C  
HETATM   24  N   UNL     1       6.070 -13.674  -4.205  1.00  0.00           N  
HETATM   25  N   UNL     1       0.044   1.034  -8.585  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.717   1.736  -9.535  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.517   1.256 -10.331  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.664  -4.730 -11.588  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.911  -3.524 -12.304  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.983  -5.418 -11.236  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.636  -5.822 -12.436  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.724  -6.635 -10.345  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.020  -7.632 -11.091  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.876  -6.234  -9.131  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.486  -7.433  -8.273  1.00  0.00           C  
HETATM   36  O   UNL     1      -0.701  -6.975  -7.187  1.00  0.00           O  
HETATM   37  O   UNL     1      -0.658  -5.598  -9.550  1.00  0.00           O  
HETATM   38  S   UNL     1      -1.490   5.175 -11.113  1.00  0.00           S  
HETATM   39  C   UNL     1      -0.430   3.228  -9.471  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.620   4.083  -9.818  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.837   4.099  -9.209  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.708   5.044  -9.823  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.102   5.700 -10.872  1.00  0.00           C  
HETATM   44  H   UNL     1       0.114  -4.008 -10.591  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.401  -0.791  -9.860  1.00  0.00           H  
HETATM   46  H   UNL     1       1.523  -0.193  -6.760  1.00  0.00           H  
HETATM   47  H   UNL     1       0.104  -4.155  -7.655  1.00  0.00           H  
HETATM   48  H   UNL     1       0.483  -4.386  -5.725  1.00  0.00           H  
HETATM   49  H   UNL     1       2.608  -3.831  -3.830  1.00  0.00           H  
HETATM   50  H   UNL     1       1.385  -5.108  -3.738  1.00  0.00           H  
HETATM   51  H   UNL     1       3.864  -5.082  -5.559  1.00  0.00           H  
HETATM   52  H   UNL     1       3.696  -6.026  -4.078  1.00  0.00           H  
HETATM   53  H   UNL     1       1.830  -7.343  -5.144  1.00  0.00           H  
HETATM   54  H   UNL     1       1.997  -6.357  -6.605  1.00  0.00           H  
HETATM   55  H   UNL     1       3.561  -8.885  -4.516  1.00  0.00           H  
HETATM   56  H   UNL     1       4.761  -7.586  -4.538  1.00  0.00           H  
HETATM   57  H   UNL     1       6.108  -8.733  -6.225  1.00  0.00           H  
HETATM   58  H   UNL     1       5.800  -9.810  -4.857  1.00  0.00           H  
HETATM   59  H   UNL     1       3.509 -10.383  -8.320  1.00  0.00           H  
HETATM   60  H   UNL     1       4.708  -9.083  -8.343  1.00  0.00           H  
HETATM   61  H   UNL     1       2.470  -8.159  -8.001  1.00  0.00           H  
HETATM   62  H   UNL     1       2.162  -9.236  -6.631  1.00  0.00           H  
HETATM   63  H   UNL     1       6.471 -10.615  -7.672  1.00  0.00           H  
HETATM   64  H   UNL     1       5.232 -11.870  -7.832  1.00  0.00           H  
HETATM   65  H   UNL     1       6.928 -11.358  -5.343  1.00  0.00           H  
HETATM   66  H   UNL     1       7.149 -12.699  -6.468  1.00  0.00           H  
HETATM   67  H   UNL     1       4.902 -13.590  -5.879  1.00  0.00           H  
HETATM   68  H   UNL     1       4.660 -12.271  -4.723  1.00  0.00           H  
HETATM   69  H   UNL     1       6.136 -13.312  -3.266  1.00  0.00           H  
HETATM   70  H   UNL     1       6.625 -14.469  -4.481  1.00  0.00           H  
HETATM   71  H   UNL     1       0.667   1.603  -8.000  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.076  -5.381 -12.245  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.177  -2.924 -12.098  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.655  -4.713 -10.732  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.372  -5.188 -13.122  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.671  -7.087 -10.032  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.370  -7.159 -11.631  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.436  -5.537  -8.497  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.905  -8.142  -8.863  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.381  -7.923  -7.888  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.438  -6.061  -7.391  1.00  0.00           H  
HETATM   82  H   UNL     1       0.399   3.455 -10.154  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.081   3.478  -8.461  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.109   3.474  -8.367  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.726   5.233  -9.510  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.530   6.463 -11.507  1.00  0.00           H  
CONECT    1    2   28   37   44                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   45                                       
CONECT    5    4    6    6   25                                       
CONECT    6    5    5    7   46                                       
CONECT    7    6    8    8    9                                       
CONECT    8    3    7    7   47                                       
CONECT    9    7   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   48                                            
CONECT   12   11   13   49   50                                       
CONECT   13   12   14   51   52                                       
CONECT   14   13   15   53   54                                       
CONECT   15   14   16   20                                            
CONECT   16   15   17   55   56                                       
CONECT   17   16   18   57   58                                       
CONECT   18   17   19   21                                            
CONECT   19   18   20   59   60                                       
CONECT   20   15   19   61   62                                       
CONECT   21   18   22   63   64                                       
CONECT   22   21   23   65   66                                       
CONECT   23   22   24   67   68                                       
CONECT   24   23   69   70                                            
CONECT   25    5   26   71                                            
CONECT   26   25   27   27   39                                       
CONECT   27   26   26                                                 
CONECT   28    1   29   30   72                                       
CONECT   29   28   73                                                 
CONECT   30   28   31   32   74                                       
CONECT   31   30   75                                                 
CONECT   32   30   33   34   76                                       
CONECT   33   32   77                                                 
CONECT   34   32   35   37   78                                       
CONECT   35   34   36   79   80                                       
CONECT   36   35   81                                                 
CONECT   37    1   34                                                 
CONECT   38   40   43                                                 
CONECT   39   26   40   82   83                                       
CONECT   40   38   39   41   41                                       
CONECT   41   40   40   42   84                                       
CONECT   42   41   43   43   85                                       
CONECT   43   38   42   42   86                                       
CONECT   44    1                                                      
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   39                                                      
CONECT   83   39                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   43                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
