COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.699  -3.199  -1.043  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.934  -3.528  -1.739  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.178  -3.353  -0.843  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.301  -4.561   0.046  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.635  -4.352   1.419  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.280  -3.626   1.323  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.445  -4.116   0.171  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.023  -4.069   0.536  1.00  0.00           N  
HETATM    9  C   UNL     1       0.413  -2.686   0.773  1.00  0.00           C  
HETATM   10  C   UNL     1       1.843  -2.693   1.325  1.00  0.00           C  
HETATM   11  C   UNL     1       0.805  -4.721  -0.486  1.00  0.00           C  
HETATM   12  C   UNL     1       2.251  -4.812   0.014  1.00  0.00           C  
HETATM   13  N   UNL     1       2.694  -3.466   0.407  1.00  0.00           N  
HETATM   14  C   UNL     1       3.850  -2.954  -0.060  1.00  0.00           C  
HETATM   15  O   UNL     1       4.483  -3.556  -0.905  1.00  0.00           O  
HETATM   16  O   UNL     1       4.302  -1.775   0.407  1.00  0.00           O  
HETATM   17  C   UNL     1       5.503  -1.238  -0.208  1.00  0.00           C  
HETATM   18  C   UNL     1       5.120  -0.337  -1.354  1.00  0.00           C  
HETATM   19  C   UNL     1       3.869   0.011  -1.524  1.00  0.00           C  
HETATM   20  C   UNL     1       3.486   0.913  -2.669  1.00  0.00           C  
HETATM   21  C   UNL     1       4.709   1.162  -3.553  1.00  0.00           C  
HETATM   22  C   UNL     1       6.293  -0.437   0.828  1.00  0.00           C  
HETATM   23  C   UNL     1       7.441   0.300   0.136  1.00  0.00           C  
HETATM   24  O   UNL     1       6.823  -1.325   1.814  1.00  0.00           O  
HETATM   25  C   UNL     1       5.367   0.579   1.501  1.00  0.00           C  
HETATM   26  C   UNL     1       6.014   1.964   1.459  1.00  0.00           C  
HETATM   27  C   UNL     1       5.012   3.010   1.952  1.00  0.00           C  
HETATM   28  O   UNL     1       5.588   3.753   3.028  1.00  0.00           O  
HETATM   29  C   UNL     1       4.663   3.962   0.805  1.00  0.00           C  
HETATM   30  C   UNL     1       3.645   3.312  -0.095  1.00  0.00           C  
HETATM   31  O   UNL     1       2.500   3.195   0.274  1.00  0.00           O  
HETATM   32  O   UNL     1       4.008   2.863  -1.307  1.00  0.00           O  
HETATM   33  C   UNL     1       2.975   2.246  -2.119  1.00  0.00           C  
HETATM   34  C   UNL     1       1.750   2.005  -1.274  1.00  0.00           C  
HETATM   35  C   UNL     1       1.833   1.110  -0.065  1.00  0.00           C  
HETATM   36  C   UNL     1       0.597   2.581  -1.596  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.578   2.412  -0.727  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.748   2.932  -1.083  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.913   2.889  -0.128  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.419   4.311   0.124  1.00  0.00           C  
HETATM   41  O   UNL     1      -2.495   2.306   1.108  1.00  0.00           O  
HETATM   42  C   UNL     1      -4.038   2.047  -0.734  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.054   1.695   0.354  1.00  0.00           C  
HETATM   44  O   UNL     1      -5.826   2.759   0.914  1.00  0.00           O  
HETATM   45  C   UNL     1      -6.537   1.886   0.033  1.00  0.00           C  
HETATM   46  C   UNL     1      -7.533   0.904   0.654  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.231  -0.511   0.157  1.00  0.00           C  
HETATM   48  C   UNL     1      -8.956   1.294   0.246  1.00  0.00           C  
HETATM   49  O   UNL     1      -9.105   1.142  -1.167  1.00  0.00           O  
HETATM   50  C   UNL     1      -9.958   0.390   0.965  1.00  0.00           C  
HETATM   51  C   UNL     1     -11.382   0.859   0.655  1.00  0.00           C  
HETATM   52  H   UNL     1      -0.866  -3.296  -1.739  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.753  -2.166  -0.699  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.033  -2.881  -2.610  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.885  -4.564  -2.074  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.065  -2.458  -0.231  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.068  -3.261  -1.466  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.357  -4.783   0.196  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.829  -5.411  -0.447  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.305  -3.766   2.049  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.480  -5.325   1.887  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.460  -2.558   1.199  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.729  -3.784   2.250  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.728  -5.139  -0.078  1.00  0.00           H  
HETATM   65  H   UNL     1       0.388  -2.131  -0.164  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.253  -2.213   1.495  1.00  0.00           H  
HETATM   67  H   UNL     1       2.214  -1.670   1.395  1.00  0.00           H  
HETATM   68  H   UNL     1       1.852  -3.154   2.313  1.00  0.00           H  
HETATM   69  H   UNL     1       0.424  -5.724  -0.678  1.00  0.00           H  
HETATM   70  H   UNL     1       0.775  -4.138  -1.406  1.00  0.00           H  
HETATM   71  H   UNL     1       2.300  -5.479   0.874  1.00  0.00           H  
HETATM   72  H   UNL     1       2.891  -5.190  -0.783  1.00  0.00           H  
HETATM   73  H   UNL     1       6.118  -2.058  -0.580  1.00  0.00           H  
HETATM   74  H   UNL     1       5.878   0.021  -2.036  1.00  0.00           H  
HETATM   75  H   UNL     1       3.112  -0.348  -0.843  1.00  0.00           H  
HETATM   76  H   UNL     1       2.702   0.439  -3.259  1.00  0.00           H  
HETATM   77  H   UNL     1       5.494   1.636  -2.963  1.00  0.00           H  
HETATM   78  H   UNL     1       5.074   0.212  -3.945  1.00  0.00           H  
HETATM   79  H   UNL     1       4.432   1.814  -4.381  1.00  0.00           H  
HETATM   80  H   UNL     1       7.037   0.978  -0.616  1.00  0.00           H  
HETATM   81  H   UNL     1       8.004   0.871   0.874  1.00  0.00           H  
HETATM   82  H   UNL     1       8.100  -0.423  -0.344  1.00  0.00           H  
HETATM   83  H   UNL     1       7.337  -0.885   2.505  1.00  0.00           H  
HETATM   84  H   UNL     1       4.414   0.607   0.974  1.00  0.00           H  
HETATM   85  H   UNL     1       5.201   0.287   2.538  1.00  0.00           H  
HETATM   86  H   UNL     1       6.894   1.974   2.102  1.00  0.00           H  
HETATM   87  H   UNL     1       6.309   2.197   0.436  1.00  0.00           H  
HETATM   88  H   UNL     1       4.107   2.511   2.297  1.00  0.00           H  
HETATM   89  H   UNL     1       5.007   4.435   3.391  1.00  0.00           H  
HETATM   90  H   UNL     1       4.252   4.886   1.212  1.00  0.00           H  
HETATM   91  H   UNL     1       5.564   4.186   0.233  1.00  0.00           H  
HETATM   92  H   UNL     1       2.720   2.907  -2.947  1.00  0.00           H  
HETATM   93  H   UNL     1       1.457   0.119  -0.320  1.00  0.00           H  
HETATM   94  H   UNL     1       2.871   1.032   0.259  1.00  0.00           H  
HETATM   95  H   UNL     1       1.231   1.530   0.740  1.00  0.00           H  
HETATM   96  H   UNL     1       0.522   3.173  -2.496  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.489   1.866   0.200  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.864   3.385  -2.056  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.738   4.755  -0.819  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.261   4.280   0.814  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.617   4.910   0.555  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.161   1.402   1.023  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.532   2.615  -1.522  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.621   1.131  -1.153  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.778   0.868   1.009  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.799   2.264  -0.955  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.445   0.935   1.740  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.353  -0.550  -0.925  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.206  -0.776   0.417  1.00  0.00           H  
HETATM  110  H   UNL     1      -7.918  -1.215   0.626  1.00  0.00           H  
HETATM  111  H   UNL     1      -9.140   2.332   0.521  1.00  0.00           H  
HETATM  112  H   UNL     1      -8.954   0.241  -1.484  1.00  0.00           H  
HETATM  113  H   UNL     1      -9.832  -0.637   0.623  1.00  0.00           H  
HETATM  114  H   UNL     1      -9.786   0.438   2.040  1.00  0.00           H  
HETATM  115  H   UNL     1     -12.096   0.215   1.168  1.00  0.00           H  
HETATM  116  H   UNL     1     -11.508   1.886   0.998  1.00  0.00           H  
HETATM  117  H   UNL     1     -11.554   0.810  -0.420  1.00  0.00           H  
CONECT    1    7    2   52   53                                       
CONECT    2    3    1   54   55                                       
CONECT    3    4    2   56   57                                       
CONECT    4    5    3   58   59                                       
CONECT    5    4    6   60   61                                       
CONECT    6    5    7   62   63                                       
CONECT    7    6    1    8   64                                       
CONECT    8    7   11    9                                            
CONECT    9    8   10   65   66                                       
CONECT   10    9   13   67   68                                       
CONECT   11    8   12   69   70                                       
CONECT   12   11   13   71   72                                       
CONECT   13   14   12   10                                            
CONECT   14   15   15   16   13                                       
CONECT   15   14   14                                                 
CONECT   16   14   17                                                 
CONECT   17   16   18   22   73                                       
CONECT   18   19   19   17   74                                       
CONECT   19   20   18   18   75                                       
CONECT   20   21   33   19   76                                       
CONECT   21   20   77   78   79                                       
CONECT   22   17   24   23   25                                       
CONECT   23   22   80   81   82                                       
CONECT   24   22   83                                                 
CONECT   25   22   26   84   85                                       
CONECT   26   25   27   86   87                                       
CONECT   27   26   28   29   88                                       
CONECT   28   27   89                                                 
CONECT   29   30   27   90   91                                       
CONECT   30   31   31   32   29                                       
CONECT   31   30   30                                                 
CONECT   32   33   30                                                 
CONECT   33   34   20   32   92                                       
CONECT   34   35   36   36   33                                       
CONECT   35   34   93   94   95                                       
CONECT   36   37   34   34   96                                       
CONECT   37   38   38   36   97                                       
CONECT   38   39   37   37   98                                       
CONECT   39   42   41   38   40                                       
CONECT   40   39   99  100  101                                       
CONECT   41   39  102                                                 
CONECT   42   43   39  103  104                                       
CONECT   43   45   44   42  105                                       
CONECT   44   45   43                                                 
CONECT   45   46   43   44  106                                       
CONECT   46   48   47   45  107                                       
CONECT   47   46  108  109  110                                       
CONECT   48   49   50   46  111                                       
CONECT   49   48  112                                                 
CONECT   50   51   48  113  114                                       
CONECT   51   50  115  116  117                                       
CONECT   52    1                                                      
CONECT   53    1                                                      
CONECT   54    2                                                      
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    6                                                      
CONECT   64    7                                                      
CONECT   65    9                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   10                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   12                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   21                                                      
CONECT   79   21                                                      
CONECT   80   23                                                      
CONECT   81   23                                                      
CONECT   82   23                                                      
CONECT   83   24                                                      
CONECT   84   25                                                      
CONECT   85   25                                                      
CONECT   86   26                                                      
CONECT   87   26                                                      
CONECT   88   27                                                      
CONECT   89   28                                                      
CONECT   90   29                                                      
CONECT   91   29                                                      
CONECT   92   33                                                      
CONECT   93   35                                                      
CONECT   94   35                                                      
CONECT   95   35                                                      
CONECT   96   36                                                      
CONECT   97   37                                                      
CONECT   98   38                                                      
CONECT   99   40                                                      
CONECT  100   40                                                      
CONECT  101   40                                                      
CONECT  102   41                                                      
CONECT  103   42                                                      
CONECT  104   42                                                      
CONECT  105   43                                                      
CONECT  106   45                                                      
CONECT  107   46                                                      
CONECT  108   47                                                      
CONECT  109   47                                                      
CONECT  110   47                                                      
CONECT  111   48                                                      
CONECT  112   49                                                      
CONECT  113   50                                                      
CONECT  114   50                                                      
CONECT  115   51                                                      
CONECT  116   51                                                      
CONECT  117   51                                                      
MASTER        0    0    0    0    0    0    0    0  117    0  117    0
END
