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