COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       9.527   0.689  -0.140  1.00  0.00           O  
HETATM    2  C   UNL     1       9.130   1.755   0.280  1.00  0.00           C  
HETATM    3  C   UNL     1      10.077   2.923   0.388  1.00  0.00           C  
HETATM    4  C   UNL     1       7.721   1.911   0.678  1.00  0.00           C  
HETATM    5  C   UNL     1       7.260   3.139   1.163  1.00  0.00           C  
HETATM    6  C   UNL     1       5.939   3.280   1.535  1.00  0.00           C  
HETATM    7  C   UNL     1       5.068   2.212   1.431  1.00  0.00           C  
HETATM    8  C   UNL     1       6.838   0.833   0.568  1.00  0.00           C  
HETATM    9  C   UNL     1       5.516   0.986   0.951  1.00  0.00           C  
HETATM   10  N   UNL     1       4.628  -0.091   0.848  1.00  0.00           N  
HETATM   11  C   UNL     1       4.938  -1.317   0.403  1.00  0.00           C  
HETATM   12  O   UNL     1       6.054  -1.625   0.032  1.00  0.00           O  
HETATM   13  O   UNL     1       3.908  -2.170   0.403  1.00  0.00           O  
HETATM   14  C   UNL     1       3.205  -0.065   1.218  1.00  0.00           C  
HETATM   15  C   UNL     1       2.718  -1.493   0.903  1.00  0.00           C  
HETATM   16  C   UNL     1       1.641  -1.469  -0.151  1.00  0.00           C  
HETATM   17  O   UNL     1       1.865  -1.917  -1.256  1.00  0.00           O  
HETATM   18  N   UNL     1       0.430  -0.951   0.134  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.616  -0.928  -0.891  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.354  -2.269  -0.897  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.406  -3.362  -1.319  1.00  0.00           C  
HETATM   22  C   UNL     1       0.337  -4.038  -0.370  1.00  0.00           C  
HETATM   23  C   UNL     1       1.206  -5.040  -0.757  1.00  0.00           C  
HETATM   24  C   UNL     1       1.332  -5.367  -2.094  1.00  0.00           C  
HETATM   25  C   UNL     1       0.589  -4.692  -3.044  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.284  -3.692  -2.656  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.606   0.197  -0.585  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.284  -0.086   0.641  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.627   0.302  -1.719  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.491   1.463  -1.493  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.933   2.816  -1.566  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.927   3.288  -3.021  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.367   3.417  -3.522  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.231   4.648  -3.114  1.00  0.00           C  
HETATM   35  S   UNL     1      -5.098   1.247  -1.156  1.00  0.00           S  
HETATM   36  O   UNL     1      -5.723   2.507  -1.361  1.00  0.00           O  
HETATM   37  O   UNL     1      -5.494   0.063  -1.834  1.00  0.00           O  
HETATM   38  C   UNL     1      -5.227   0.902   0.566  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.258   1.941   1.478  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.360   1.674   2.831  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.304  -0.408   1.003  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.406  -0.682   2.357  1.00  0.00           C  
HETATM   43  O   UNL     1      -5.495  -1.862   3.038  1.00  0.00           O  
HETATM   44  C   UNL     1      -5.432   0.365   3.276  1.00  0.00           C  
HETATM   45  O   UNL     1      -5.535  -0.160   4.532  1.00  0.00           O  
HETATM   46  C   UNL     1      -5.985  -1.515   4.346  1.00  0.00           C  
HETATM   47  H   UNL     1      11.066   2.621   0.046  1.00  0.00           H  
HETATM   48  H   UNL     1       9.713   3.744  -0.230  1.00  0.00           H  
HETATM   49  H   UNL     1      10.135   3.248   1.427  1.00  0.00           H  
HETATM   50  H   UNL     1       7.938   3.976   1.246  1.00  0.00           H  
HETATM   51  H   UNL     1       5.585   4.229   1.910  1.00  0.00           H  
HETATM   52  H   UNL     1       4.035   2.330   1.724  1.00  0.00           H  
HETATM   53  H   UNL     1       7.186  -0.117   0.190  1.00  0.00           H  
HETATM   54  H   UNL     1       3.088   0.156   2.279  1.00  0.00           H  
HETATM   55  H   UNL     1       2.665   0.663   0.612  1.00  0.00           H  
HETATM   56  H   UNL     1       2.355  -1.977   1.810  1.00  0.00           H  
HETATM   57  H   UNL     1       0.251  -0.594   1.017  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.164  -0.758  -1.868  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.730  -2.481   0.103  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.188  -2.221  -1.597  1.00  0.00           H  
HETATM   61  H   UNL     1       0.238  -3.782   0.675  1.00  0.00           H  
HETATM   62  H   UNL     1       1.787  -5.568  -0.014  1.00  0.00           H  
HETATM   63  H   UNL     1       2.012  -6.150  -2.396  1.00  0.00           H  
HETATM   64  H   UNL     1       0.688  -4.947  -4.089  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.867  -3.167  -3.398  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.067   1.140  -0.493  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.825  -0.887   0.616  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.104   0.417  -2.669  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.234  -0.603  -1.746  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.542   3.493  -0.967  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.913   2.809  -1.182  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.392   2.564  -3.636  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.902   4.141  -2.907  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.362   3.753  -4.559  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.862   2.448  -3.456  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.205   4.556  -2.757  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.227   4.984  -4.150  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.766   5.372  -2.499  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.203   2.962   1.132  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.384   2.488   3.541  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.284  -1.217   0.289  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.074  -1.565   4.372  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.553  -2.169   5.103  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   47   48   49                                       
CONECT    4    2    5    5    8                                       
CONECT    5    4    4    6   50                                       
CONECT    6    5    7    7   51                                       
CONECT    7    6    6    9   52                                       
CONECT    8    4    9    9   53                                       
CONECT    9    7    8    8   10                                       
CONECT   10    9   11   14                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   15                                                 
CONECT   14   10   15   54   55                                       
CONECT   15   13   14   16   56                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   57                                            
CONECT   19   18   20   27   58                                       
CONECT   20   19   21   59   60                                       
CONECT   21   20   22   22   26                                       
CONECT   22   21   21   23   61                                       
CONECT   23   22   24   24   62                                       
CONECT   24   23   23   25   63                                       
CONECT   25   24   26   26   64                                       
CONECT   26   21   25   25   65                                       
CONECT   27   19   28   29   66                                       
CONECT   28   27   67                                                 
CONECT   29   27   30   68   69                                       
CONECT   30   29   31   35                                            
CONECT   31   30   32   70   71                                       
CONECT   32   31   33   34   72                                       
CONECT   33   32   73   74   75                                       
CONECT   34   32   76   77   78                                       
CONECT   35   30   36   36   37                                       
CONECT   35   37   38                                                 
CONECT   36   35   35                                                 
CONECT   37   35   35                                                 
CONECT   38   35   39   39   41                                       
CONECT   39   38   38   40   79                                       
CONECT   40   39   44   44   80                                       
CONECT   41   38   42   42   81                                       
CONECT   42   41   41   43   44                                       
CONECT   43   42   46                                                 
CONECT   44   40   40   42   45                                       
CONECT   45   44   46                                                 
CONECT   46   43   45   82   83                                       
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
CONECT   82   46                                                      
CONECT   83   46                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
