COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.852   1.261  -1.000  1.00  0.00           C  
HETATM    2  C   UNL     1       6.333  -0.642  -0.913  1.00  0.00           C  
HETATM    3  C   UNL     1       5.988  -2.041  -0.470  1.00  0.00           C  
HETATM    4  C   UNL     1       6.993  -3.045  -1.073  1.00  0.00           C  
HETATM    5  C   UNL     1       6.099  -4.264  -1.422  1.00  0.00           C  
HETATM    6  C   UNL     1       4.786  -3.570  -1.863  1.00  0.00           C  
HETATM    7  N   UNL     1       7.517  -0.099  -0.569  1.00  0.00           N  
HETATM    8  C   UNL     1      10.340   1.356  -1.255  1.00  0.00           C  
HETATM    9  C   UNL     1      13.078   2.677   0.950  1.00  0.00           C  
HETATM   10  C   UNL     1      11.595   1.694  -0.794  1.00  0.00           C  
HETATM   11  C   UNL     1      11.736   2.312   0.449  1.00  0.00           C  
HETATM   12  C   UNL     1      15.423   2.889   1.669  1.00  0.00           C  
HETATM   13  C   UNL     1       2.188  -2.333  -1.150  1.00  0.00           C  
HETATM   14  C   UNL     1       0.062  -2.899  -0.103  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.007  -2.662   0.932  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.121  -3.697   0.761  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.228  -4.391   1.670  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.325  -0.980   3.099  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.694   2.432   0.417  1.00  0.00           C  
HETATM   20  C   UNL     1     -11.423   5.055  -1.342  1.00  0.00           C  
HETATM   21  C   UNL     1     -12.230   5.955  -2.257  1.00  0.00           C  
HETATM   22  C   UNL     1     -11.741   7.381  -1.916  1.00  0.00           C  
HETATM   23  C   UNL     1     -11.237   7.203  -0.467  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.839   1.243  -0.296  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.283   0.078   0.190  1.00  0.00           C  
HETATM   26  C   UNL     1     -10.833  -3.206  -0.512  1.00  0.00           C  
HETATM   27  C   UNL     1     -11.937  -4.028   0.101  1.00  0.00           C  
HETATM   28  O   UNL     1     -10.231  -3.623  -1.479  1.00  0.00           O  
HETATM   29  N   UNL     1     -10.513  -2.007   0.015  1.00  0.00           N  
HETATM   30  C   UNL     1      -9.439  -1.208  -0.581  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.296   3.686  -0.100  1.00  0.00           C  
HETATM   32  N   UNL     1     -11.081   3.802  -1.188  1.00  0.00           N  
HETATM   33  N   UNL     1     -10.875   5.783  -0.348  1.00  0.00           N  
HETATM   34  C   UNL     1     -10.157   4.923   0.442  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.988   2.439   1.618  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.430   1.272   2.096  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.581   0.088   1.386  1.00  0.00           C  
HETATM   38  O   UNL     1      -8.035  -1.062   1.862  1.00  0.00           O  
HETATM   39  C   UNL     1      -6.786  -2.363   3.471  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.816  -2.772   2.505  1.00  0.00           O  
HETATM   41  C   UNL     1      -5.247  -4.058   2.761  1.00  0.00           C  
HETATM   42  O   UNL     1      -3.135  -3.473   1.742  1.00  0.00           O  
HETATM   43  O   UNL     1      -0.055  -3.806  -0.899  1.00  0.00           O  
HETATM   44  N   UNL     1       1.149  -2.103  -0.144  1.00  0.00           N  
HETATM   45  C   UNL     1       1.803  -1.627  -2.451  1.00  0.00           C  
HETATM   46  C   UNL     1       1.647  -0.128  -2.192  1.00  0.00           C  
HETATM   47  C   UNL     1       2.898  -1.852  -3.497  1.00  0.00           C  
HETATM   48  C   UNL     1       0.480  -2.196  -2.968  1.00  0.00           C  
HETATM   49  C   UNL     1       3.500  -1.786  -0.651  1.00  0.00           C  
HETATM   50  O   UNL     1       3.519  -0.785   0.034  1.00  0.00           O  
HETATM   51  N   UNL     1       4.654  -2.408  -0.965  1.00  0.00           N  
HETATM   52  O   UNL     1       5.883  -5.087  -0.274  1.00  0.00           O  
HETATM   53  O   UNL     1       5.544  -0.006  -1.580  1.00  0.00           O  
HETATM   54  C   UNL     1       9.221   1.627  -0.487  1.00  0.00           C  
HETATM   55  C   UNL     1       9.354   2.234   0.749  1.00  0.00           C  
HETATM   56  C   UNL     1      10.604   2.583   1.219  1.00  0.00           C  
HETATM   57  C   UNL     1      13.432   3.866   1.484  1.00  0.00           C  
HETATM   58  C   UNL     1      12.466   5.011   1.643  1.00  0.00           C  
HETATM   59  S   UNL     1      14.500   1.636   0.962  1.00  0.00           S  
HETATM   60  N   UNL     1      14.692   3.937   1.853  1.00  0.00           N  
HETATM   61  H   UNL     1       7.847   1.308  -2.089  1.00  0.00           H  
HETATM   62  H   UNL     1       7.116   1.959  -0.602  1.00  0.00           H  
HETATM   63  H   UNL     1       6.009  -2.100   0.618  1.00  0.00           H  
HETATM   64  H   UNL     1       7.456  -2.636  -1.971  1.00  0.00           H  
HETATM   65  H   UNL     1       7.751  -3.320  -0.339  1.00  0.00           H  
HETATM   66  H   UNL     1       6.529  -4.843  -2.240  1.00  0.00           H  
HETATM   67  H   UNL     1       4.859  -3.243  -2.900  1.00  0.00           H  
HETATM   68  H   UNL     1       3.940  -4.246  -1.738  1.00  0.00           H  
HETATM   69  H   UNL     1       8.148  -0.608  -0.036  1.00  0.00           H  
HETATM   70  H   UNL     1      10.229   0.882  -2.219  1.00  0.00           H  
HETATM   71  H   UNL     1      12.467   1.481  -1.394  1.00  0.00           H  
HETATM   72  H   UNL     1      16.469   2.814   1.928  1.00  0.00           H  
HETATM   73  H   UNL     1       2.287  -3.403  -1.332  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.575  -2.755   1.929  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.419  -1.661   0.807  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.553  -3.605  -0.235  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.709  -4.699   0.887  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.860  -5.406   1.814  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.704  -4.312   0.692  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.494  -0.282   2.996  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.997  -0.629   3.882  1.00  0.00           H  
HETATM   82  H   UNL     1     -12.024   5.721  -3.302  1.00  0.00           H  
HETATM   83  H   UNL     1     -13.295   5.857  -2.047  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.928   7.683  -2.577  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.562   8.096  -1.958  1.00  0.00           H  
HETATM   86  H   UNL     1     -10.364   7.831  -0.292  1.00  0.00           H  
HETATM   87  H   UNL     1     -12.029   7.452   0.240  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.386   1.235  -1.227  1.00  0.00           H  
HETATM   89  H   UNL     1     -11.521  -4.680   0.869  1.00  0.00           H  
HETATM   90  H   UNL     1     -12.677  -3.365   0.549  1.00  0.00           H  
HETATM   91  H   UNL     1     -12.411  -4.633  -0.672  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.994  -1.673   0.788  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.687  -0.983  -1.618  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.505  -1.769  -0.544  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.588   5.180   1.324  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.877   3.358   2.175  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.882   1.277   3.026  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.322  -2.319   4.457  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.607  -3.080   3.488  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.036  -4.810   2.763  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.751  -4.049   3.731  1.00  0.00           H  
HETATM  102  H   UNL     1       1.242  -1.377   0.493  1.00  0.00           H  
HETATM  103  H   UNL     1       2.589   0.278  -1.824  1.00  0.00           H  
HETATM  104  H   UNL     1       1.372   0.375  -3.119  1.00  0.00           H  
HETATM  105  H   UNL     1       0.867   0.033  -1.447  1.00  0.00           H  
HETATM  106  H   UNL     1       3.071  -2.922  -3.616  1.00  0.00           H  
HETATM  107  H   UNL     1       2.584  -1.426  -4.449  1.00  0.00           H  
HETATM  108  H   UNL     1       3.818  -1.369  -3.168  1.00  0.00           H  
HETATM  109  H   UNL     1      -0.300  -2.036  -2.224  1.00  0.00           H  
HETATM  110  H   UNL     1       0.206  -1.693  -3.895  1.00  0.00           H  
HETATM  111  H   UNL     1       0.592  -3.264  -3.153  1.00  0.00           H  
HETATM  112  H   UNL     1       5.330  -5.862  -0.444  1.00  0.00           H  
HETATM  113  H   UNL     1       8.477   2.443   1.344  1.00  0.00           H  
HETATM  114  H   UNL     1      10.705   3.061   2.182  1.00  0.00           H  
HETATM  115  H   UNL     1      12.039   4.989   2.646  1.00  0.00           H  
HETATM  116  H   UNL     1      12.993   5.954   1.493  1.00  0.00           H  
HETATM  117  H   UNL     1      11.669   4.919   0.906  1.00  0.00           H  
CONECT    1   54    7   61   62                                       
CONECT    2    7   53   53    3                                       
CONECT    3    2    4   51   63                                       
CONECT    4    3    5   64   65                                       
CONECT    5    4   52    6   66                                       
CONECT    6    5   51   67   68                                       
CONECT    7    1    2   69                                            
CONECT    8   10   10   54   70                                       
CONECT    9   57   57   59   11                                       
CONECT   10   11    8    8   71                                       
CONECT   11    9   56   56   10                                       
CONECT   12   60   60   59   72                                       
CONECT   13   49   45   44   73                                       
CONECT   14   44   43   43   15                                       
CONECT   15   14   16   74   75                                       
CONECT   16   15   42   76   77                                       
CONECT   17   42   41   78   79                                       
CONECT   18   39   38   80   81                                       
CONECT   19   24   24   35   31                                       
CONECT   20   32   32   21   33                                       
CONECT   21   20   22   82   83                                       
CONECT   22   21   23   84   85                                       
CONECT   23   33   22   86   87                                       
CONECT   24   25   19   19   88                                       
CONECT   25   30   37   37   24                                       
CONECT   26   27   28   28   29                                       
CONECT   27   26   89   90   91                                       
CONECT   28   26   26                                                 
CONECT   29   26   30   92                                            
CONECT   30   29   25   93   94                                       
CONECT   31   19   32   34   34                                       
CONECT   32   31   20   20                                            
CONECT   33   20   34   23                                            
CONECT   34   31   31   33   95                                       
CONECT   35   36   36   19   96                                       
CONECT   36   37   35   35   97                                       
CONECT   37   38   25   25   36                                       
CONECT   38   18   37                                                 
CONECT   39   40   18   98   99                                       
CONECT   40   41   39                                                 
CONECT   41   17   40  100  101                                       
CONECT   42   16   17                                                 
CONECT   43   14   14                                                 
CONECT   44   13   14  102                                            
CONECT   45   48   13   47   46                                       
CONECT   46   45  103  104  105                                       
CONECT   47   45  106  107  108                                       
CONECT   48   45  109  110  111                                       
CONECT   49   51   50   50   13                                       
CONECT   50   49   49                                                 
CONECT   51    3    6   49                                            
CONECT   52    5  112                                                 
CONECT   53    2    2                                                 
CONECT   54   55   55    8    1                                       
CONECT   55   56   54   54  113                                       
CONECT   56   11   11   55  114                                       
CONECT   57   60   58    9    9                                       
CONECT   58   57  115  116  117                                       
CONECT   59   12    9                                                 
CONECT   60   12   12   57                                            
CONECT   61    1                                                      
CONECT   62    1                                                      
CONECT   63    3                                                      
CONECT   64    4                                                      
CONECT   65    4                                                      
CONECT   66    5                                                      
CONECT   67    6                                                      
CONECT   68    6                                                      
CONECT   69    7                                                      
CONECT   70    8                                                      
CONECT   71   10                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   15                                                      
CONECT   75   15                                                      
CONECT   76   16                                                      
CONECT   77   16                                                      
CONECT   78   17                                                      
CONECT   79   17                                                      
CONECT   80   18                                                      
CONECT   81   18                                                      
CONECT   82   21                                                      
CONECT   83   21                                                      
CONECT   84   22                                                      
CONECT   85   22                                                      
CONECT   86   23                                                      
CONECT   87   23                                                      
CONECT   88   24                                                      
CONECT   89   27                                                      
CONECT   90   27                                                      
CONECT   91   27                                                      
CONECT   92   29                                                      
CONECT   93   30                                                      
CONECT   94   30                                                      
CONECT   95   34                                                      
CONECT   96   35                                                      
CONECT   97   36                                                      
CONECT   98   39                                                      
CONECT   99   39                                                      
CONECT  100   41                                                      
CONECT  101   41                                                      
CONECT  102   44                                                      
CONECT  103   46                                                      
CONECT  104   46                                                      
CONECT  105   46                                                      
CONECT  106   47                                                      
CONECT  107   47                                                      
CONECT  108   47                                                      
CONECT  109   48                                                      
CONECT  110   48                                                      
CONECT  111   48                                                      
CONECT  112   52                                                      
CONECT  113   55                                                      
CONECT  114   56                                                      
CONECT  115   58                                                      
CONECT  116   58                                                      
CONECT  117   58                                                      
MASTER        0    0    0    0    0    0    0    0  117    0  117    0
END
