COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.861   0.019   4.347  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.196  -0.149   2.242  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.452  -0.121   0.540  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.324   0.565  -0.186  1.00  0.00           C  
HETATM    5  C   UNL     1       0.563  -1.151  -1.705  1.00  0.00           C  
HETATM    6  C   UNL     1       0.982   0.324   0.600  1.00  0.00           C  
HETATM    7  C   UNL     1       0.712  -0.464   1.883  1.00  0.00           C  
HETATM    8  C   UNL     1       1.685   1.647   0.912  1.00  0.00           C  
HETATM    9  C   UNL     1       1.035  -1.340  -3.149  1.00  0.00           C  
HETATM   10  C   UNL     1       2.680  -0.189  -4.528  1.00  0.00           C  
HETATM   11  C   UNL     1       3.360   1.068  -5.004  1.00  0.00           C  
HETATM   12  C   UNL     1       4.415   0.716  -6.020  1.00  0.00           C  
HETATM   13  C   UNL     1       4.090   0.660  -7.363  1.00  0.00           C  
HETATM   14  C   UNL     1       5.058   0.336  -8.295  1.00  0.00           C  
HETATM   15  C   UNL     1       6.351   0.069  -7.885  1.00  0.00           C  
HETATM   16  C   UNL     1       6.676   0.126  -6.543  1.00  0.00           C  
HETATM   17  C   UNL     1       5.709   0.453  -5.611  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.151  -1.634  -4.030  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.852  -0.935  -5.629  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.207   0.335   3.693  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.988   1.485  -8.522  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.693   0.373  -7.756  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.174   0.277  -6.464  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.954   1.290  -5.939  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.246   2.404  -6.704  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.764   2.501  -7.996  1.00  0.00           C  
HETATM   27  C   UNL     1       4.280  -0.196  11.035  1.00  0.00           C  
HETATM   28  C   UNL     1       3.018   0.344  11.162  1.00  0.00           C  
HETATM   29  C   UNL     1       2.151   0.328  10.078  1.00  0.00           C  
HETATM   30  C   UNL     1       2.565  -0.237   8.860  1.00  0.00           C  
HETATM   31  C   UNL     1       3.848  -0.778   8.754  1.00  0.00           C  
HETATM   32  C   UNL     1       4.688  -0.754   9.832  1.00  0.00           C  
HETATM   33  C   UNL     1       0.530   0.476   8.587  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.796   0.787   7.943  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.992  -1.755   0.049  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.587  -0.443   0.211  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.229   0.310  -0.890  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.267  -0.251  -2.153  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.670  -1.563  -2.315  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.033  -2.315  -1.213  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.542   0.166   1.588  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.872   0.496   5.777  1.00  0.00           C  
HETATM   43  N   UNL     1      -2.125   0.530   1.509  1.00  0.00           N  
HETATM   44  N   UNL     1      -0.285   0.068  -1.564  1.00  0.00           N  
HETATM   45  N   UNL     1       1.696  -0.117  -3.611  1.00  0.00           N  
HETATM   46  N   UNL     1      -0.668  -0.664  -4.810  1.00  0.00           N  
HETATM   47  N   UNL     1       0.860   0.771   9.874  1.00  0.00           N  
HETATM   48  N   UNL     1       1.524  -0.118   7.996  1.00  0.00           N  
HETATM   49  N   UNL     1      -0.784   0.323   6.554  1.00  0.00           N  
HETATM   50  O   UNL     1      -1.755  -1.260   0.253  1.00  0.00           O  
HETATM   51  O   UNL     1       3.019  -1.266  -4.971  1.00  0.00           O  
HETATM   52  O   UNL     1      -0.641  -2.743  -4.038  1.00  0.00           O  
HETATM   53  O   UNL     1      -3.432   1.746   3.723  1.00  0.00           O  
HETATM   54  O   UNL     1      -2.860   1.036   6.228  1.00  0.00           O  
HETATM   55  S   UNL     1       1.963  -0.678  -0.596  1.00  0.00           S  
HETATM   56  H   UNL     1      -1.689  -1.056   4.325  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.064   0.525   3.802  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.024  -1.225   2.220  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.527   1.635  -0.208  1.00  0.00           H  
HETATM   60  H   UNL     1       0.048  -2.039  -1.339  1.00  0.00           H  
HETATM   61  H   UNL     1       1.655  -0.667   2.391  1.00  0.00           H  
HETATM   62  H   UNL     1       0.065   0.119   2.539  1.00  0.00           H  
HETATM   63  H   UNL     1       0.223  -1.406   1.634  1.00  0.00           H  
HETATM   64  H   UNL     1       2.629   1.446   1.418  1.00  0.00           H  
HETATM   65  H   UNL     1       1.877   2.184  -0.016  1.00  0.00           H  
HETATM   66  H   UNL     1       1.049   2.253   1.557  1.00  0.00           H  
HETATM   67  H   UNL     1       1.737  -2.173  -3.195  1.00  0.00           H  
HETATM   68  H   UNL     1       2.623   1.729  -5.460  1.00  0.00           H  
HETATM   69  H   UNL     1       3.826   1.572  -4.157  1.00  0.00           H  
HETATM   70  H   UNL     1       3.080   0.868  -7.683  1.00  0.00           H  
HETATM   71  H   UNL     1       4.804   0.292  -9.344  1.00  0.00           H  
HETATM   72  H   UNL     1       7.107  -0.184  -8.614  1.00  0.00           H  
HETATM   73  H   UNL     1       7.686  -0.083  -6.222  1.00  0.00           H  
HETATM   74  H   UNL     1       5.963   0.498  -4.562  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.655  -1.784  -6.282  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.698  -1.164  -4.980  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.004  -0.170   4.239  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.612   1.561  -9.532  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.087  -0.420  -8.167  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.330   1.214  -4.930  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.852   3.198  -6.292  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.994   3.370  -8.594  1.00  0.00           H  
HETATM   83  H   UNL     1       4.956  -0.184  11.877  1.00  0.00           H  
HETATM   84  H   UNL     1       2.706   0.778  12.100  1.00  0.00           H  
HETATM   85  H   UNL     1       4.176  -1.214   7.823  1.00  0.00           H  
HETATM   86  H   UNL     1       5.680  -1.174   9.746  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.967   1.863   7.965  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.592   0.281   8.489  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.276  -2.343   0.910  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.914   1.335  -0.764  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.983   0.336  -3.014  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.702  -2.001  -3.302  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.349  -3.340  -1.339  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.347  -0.247   2.195  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.664   1.247   1.511  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.900   1.450   1.721  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.227  -0.205  -1.801  1.00  0.00           H  
HETATM   98  H   UNL     1       1.424   0.743  -3.257  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.256   0.214  -4.828  1.00  0.00           H  
HETATM  100  H   UNL     1       0.292   1.211  10.526  1.00  0.00           H  
HETATM  101  H   UNL     1       0.005  -0.107   6.193  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.707   2.154   3.230  1.00  0.00           H  
CONECT    1   20   42   56   57                                       
CONECT    2   20   41   43   58                                       
CONECT    3    4   43   50   50                                       
CONECT    4    3    6   44   59                                       
CONECT    5    9   44   55   60                                       
CONECT    6    4    7    8   55                                       
CONECT    7    6   61   62   63                                       
CONECT    8    6   64   65   66                                       
CONECT    9    5   18   45   67                                       
CONECT   10   11   45   51   51                                       
CONECT   11   10   12   68   69                                       
CONECT   12   11   13   13   17                                       
CONECT   13   12   12   14   70                                       
CONECT   14   13   15   15   71                                       
CONECT   15   14   14   16   72                                       
CONECT   16   15   17   17   73                                       
CONECT   17   12   16   16   74                                       
CONECT   18    9   46   52   52                                       
CONECT   19   23   46   75   76                                       
CONECT   20    1    2   53   77                                       
CONECT   21   22   22   26   78                                       
CONECT   22   21   21   23   79                                       
CONECT   23   19   22   24   24                                       
CONECT   24   23   23   25   80                                       
CONECT   25   24   26   26   81                                       
CONECT   26   21   25   25   82                                       
CONECT   27   28   28   32   83                                       
CONECT   28   27   27   29   84                                       
CONECT   29   28   30   30   47                                       
CONECT   30   29   29   31   48                                       
CONECT   31   30   32   32   85                                       
CONECT   32   27   31   31   86                                       
CONECT   33   34   47   48   48                                       
CONECT   34   33   49   87   88                                       
CONECT   35   36   36   40   89                                       
CONECT   36   35   35   37   41                                       
CONECT   37   36   38   38   90                                       
CONECT   38   37   37   39   91                                       
CONECT   39   38   40   40   92                                       
CONECT   40   35   39   39   93                                       
CONECT   41    2   36   94   95                                       
CONECT   42    1   49   54   54                                       
CONECT   43    2    3   96                                            
CONECT   44    4    5   97                                            
CONECT   45    9   10   98                                            
CONECT   46   18   19   99                                            
CONECT   47   29   33  100                                            
CONECT   48   30   33   33                                            
CONECT   49   34   42  101                                            
CONECT   50    3    3                                                 
CONECT   51   10   10                                                 
CONECT   52   18   18                                                 
CONECT   53   20  102                                                 
CONECT   54   42   42                                                 
CONECT   55    5    6                                                 
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    7                                                      
CONECT   62    7                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    8                                                      
CONECT   66    8                                                      
CONECT   67    9                                                      
CONECT   68   11                                                      
CONECT   69   11                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   16                                                      
CONECT   74   17                                                      
CONECT   75   19                                                      
CONECT   76   19                                                      
CONECT   77   20                                                      
CONECT   78   21                                                      
CONECT   79   22                                                      
CONECT   80   24                                                      
CONECT   81   25                                                      
CONECT   82   26                                                      
CONECT   83   27                                                      
CONECT   84   28                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   41                                                      
CONECT   95   41                                                      
CONECT   96   43                                                      
CONECT   97   44                                                      
CONECT   98   45                                                      
CONECT   99   46                                                      
CONECT  100   47                                                      
CONECT  101   49                                                      
CONECT  102   53                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
