COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.981  -2.159   0.778  1.00  0.00           O  
HETATM    2  O   UNL     1      -1.292   2.402  -2.047  1.00  0.00           O  
HETATM    3  O   UNL     1       0.840   0.181  -2.280  1.00  0.00           O  
HETATM    4  N   UNL     1      -2.759  -0.434  -0.274  1.00  0.00           N  
HETATM    5  N   UNL     1      -0.993  -1.778  -1.130  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.916  -1.452  -0.209  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.803  -0.343   0.748  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.717   0.603  -1.298  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.273   1.061  -1.552  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.561   0.172  -2.559  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.069  -1.258  -2.496  1.00  0.00           C  
HETATM   12  C   UNL     1       0.107  -2.670  -0.760  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.297   0.050  -2.602  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.516   0.847  -2.987  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.386   1.965  -3.790  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.504   2.696  -4.144  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.753   2.309  -3.695  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.884   1.191  -2.892  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.765   0.457  -2.542  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.215  -2.136  -3.413  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.417  -1.712  -4.845  1.00  0.00           C  
HETATM   22  C   UNL     1       0.462  -0.824  -5.434  1.00  0.00           C  
HETATM   23  C   UNL     1       0.277  -0.435  -6.747  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.788  -0.935  -7.472  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.667  -1.825  -6.884  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.479  -2.217  -5.572  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.292   0.461   1.916  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.653  -0.172   2.961  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.175   0.575   4.039  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.359   1.958   4.057  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.006   2.579   3.008  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.471   1.833   1.940  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.483  -0.096   5.159  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.324  -1.301   5.141  1.00  0.00           O  
HETATM   35  N   UNL     1      -1.027   0.627   6.200  1.00  0.00           N  
HETATM   36  N   UNL     1      -0.116  -1.285   7.417  1.00  0.00           N  
HETATM   37  C   UNL     1      -0.376  -0.003   7.253  1.00  0.00           C  
HETATM   38  C   UNL     1       0.521  -1.722   8.485  1.00  0.00           C  
HETATM   39  S   UNL     1       0.296   0.693   8.694  1.00  0.00           S  
HETATM   40  C   UNL     1       0.898  -0.821   9.425  1.00  0.00           C  
HETATM   41  C   UNL     1       1.208  -1.869  -0.115  1.00  0.00           C  
HETATM   42  C   UNL     1       2.286  -1.450  -0.867  1.00  0.00           C  
HETATM   43  C   UNL     1       3.302  -0.703  -0.268  1.00  0.00           C  
HETATM   44  C   UNL     1       3.225  -0.395   1.090  1.00  0.00           C  
HETATM   45  C   UNL     1       2.145  -0.825   1.832  1.00  0.00           C  
HETATM   46  C   UNL     1       1.138  -1.560   1.231  1.00  0.00           C  
HETATM   47  C   UNL     1       4.457  -0.245  -1.069  1.00  0.00           C  
HETATM   48  O   UNL     1       4.521  -0.514  -2.253  1.00  0.00           O  
HETATM   49  N   UNL     1       5.438   0.472  -0.487  1.00  0.00           N  
HETATM   50  N   UNL     1       6.773   0.708  -2.520  1.00  0.00           N  
HETATM   51  C   UNL     1       6.523   0.902  -1.240  1.00  0.00           C  
HETATM   52  C   UNL     1       7.860   1.195  -3.086  1.00  0.00           C  
HETATM   53  S   UNL     1       7.903   1.829  -0.735  1.00  0.00           S  
HETATM   54  C   UNL     1       8.730   1.896  -2.317  1.00  0.00           C  
HETATM   55  H   UNL     1      -0.371   2.665  -2.176  1.00  0.00           H  
HETATM   56  H   UNL     1       1.135   1.099  -2.359  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.682   0.144   0.328  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.070  -1.344   1.086  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.315   1.454  -0.972  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.725   1.040  -0.610  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.727   0.565  -3.562  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.104  -1.286  -2.834  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.253  -3.422  -0.059  1.00  0.00           H  
HETATM   64  H   UNL     1       0.492  -3.162  -1.654  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.550   0.123  -3.392  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.575  -0.994  -2.461  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.410   2.267  -4.141  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.402   3.569  -4.770  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.627   2.881  -3.970  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.859   0.889  -2.541  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.867  -0.416  -1.916  1.00  0.00           H  
HETATM   72  H   UNL     1       0.835  -2.026  -3.146  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.512  -3.179  -3.297  1.00  0.00           H  
HETATM   74  H   UNL     1       1.294  -0.433  -4.867  1.00  0.00           H  
HETATM   75  H   UNL     1       0.964   0.259  -7.207  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.933  -0.631  -8.498  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.500  -2.216  -7.450  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.166  -2.912  -5.112  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.514  -1.243   2.941  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.995   2.542   4.890  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.148   3.649   3.020  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.976   2.324   1.121  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.153   1.589   6.215  1.00  0.00           H  
HETATM   84  H   UNL     1       0.735  -2.773   8.610  1.00  0.00           H  
HETATM   85  H   UNL     1       1.419  -0.976  10.359  1.00  0.00           H  
HETATM   86  H   UNL     1       2.339  -1.692  -1.918  1.00  0.00           H  
HETATM   87  H   UNL     1       4.010   0.179   1.560  1.00  0.00           H  
HETATM   88  H   UNL     1       2.084  -0.587   2.884  1.00  0.00           H  
HETATM   89  H   UNL     1       0.294  -1.894   1.816  1.00  0.00           H  
HETATM   90  H   UNL     1       5.387   0.687   0.456  1.00  0.00           H  
HETATM   91  H   UNL     1       8.056   1.035  -4.136  1.00  0.00           H  
HETATM   92  H   UNL     1       9.664   2.365  -2.587  1.00  0.00           H  
CONECT    1    6    6                                                 
CONECT    2    9   55                                                 
CONECT    3   10   56                                                 
CONECT    4    6    7    8                                            
CONECT    5    6   11   12                                            
CONECT    6    1    1    4    5                                       
CONECT    7    4   27   57   58                                       
CONECT    8    4    9   13   59                                       
CONECT    9    2    8   10   60                                       
CONECT   10    3    9   11   61                                       
CONECT   11    5   10   20   62                                       
CONECT   12    5   41   63   64                                       
CONECT   13    8   14   65   66                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   67                                       
CONECT   16   15   17   17   68                                       
CONECT   17   16   16   18   69                                       
CONECT   18   17   19   19   70                                       
CONECT   19   14   18   18   71                                       
CONECT   20   11   21   72   73                                       
CONECT   21   20   22   22   26                                       
CONECT   22   21   21   23   74                                       
CONECT   23   22   24   24   75                                       
CONECT   24   23   23   25   76                                       
CONECT   25   24   26   26   77                                       
CONECT   26   21   25   25   78                                       
CONECT   27    7   28   28   32                                       
CONECT   28   27   27   29   79                                       
CONECT   29   28   30   30   33                                       
CONECT   30   29   29   31   80                                       
CONECT   31   30   32   32   81                                       
CONECT   32   27   31   31   82                                       
CONECT   33   29   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   37   83                                            
CONECT   36   37   37   38                                            
CONECT   37   35   36   36   39                                       
CONECT   38   36   40   40   84                                       
CONECT   39   37   40                                                 
CONECT   40   38   38   39   85                                       
CONECT   41   12   42   42   46                                       
CONECT   42   41   41   43   86                                       
CONECT   43   42   44   44   47                                       
CONECT   44   43   43   45   87                                       
CONECT   45   44   46   46   88                                       
CONECT   46   41   45   45   89                                       
CONECT   47   43   48   48   49                                       
CONECT   48   47   47                                                 
CONECT   49   47   51   90                                            
CONECT   50   51   51   52                                            
CONECT   51   49   50   50   53                                       
CONECT   52   50   54   54   91                                       
CONECT   53   51   54                                                 
CONECT   54   52   52   53   92                                       
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   28                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   35                                                      
CONECT   84   38                                                      
CONECT   85   40                                                      
CONECT   86   42                                                      
CONECT   87   44                                                      
CONECT   88   45                                                      
CONECT   89   46                                                      
CONECT   90   49                                                      
CONECT   91   52                                                      
CONECT   92   54                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
