COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.781  -0.878  13.455  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.541  -0.181  14.554  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.025   0.177  15.877  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.087   0.809  16.550  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.789   0.031  16.510  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.820   0.223  14.508  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.164   0.817  15.692  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.893   1.270  17.848  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.621   0.491  17.785  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.667   1.109  18.456  1.00  0.00           C  
HETATM   11  S   UNL     1       0.885   0.744   8.431  1.00  0.00           S  
HETATM   12  C   UNL     1       0.078  -0.490   9.487  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.680   0.206  10.586  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.677   1.417  10.650  1.00  0.00           O  
HETATM   15  N   UNL     1      -1.363  -0.515  11.496  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.101   0.162  12.565  1.00  0.00           C  
HETATM   17  O   UNL     1       4.614  -1.556  -3.127  1.00  0.00           O  
HETATM   18  P   UNL     1       3.710  -0.418  -3.821  1.00  0.00           P  
HETATM   19  O   UNL     1       4.652   0.567  -4.677  1.00  0.00           O  
HETATM   20  O   UNL     1       3.006   0.357  -2.775  1.00  0.00           O  
HETATM   21  O   UNL     1       2.630  -1.109  -4.795  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.823   1.237  -9.960  1.00  0.00           O  
HETATM   23  P   UNL     1       1.766   0.080  -5.451  1.00  0.00           P  
HETATM   24  O   UNL     1       1.092   0.848  -4.380  1.00  0.00           O  
HETATM   25  O   UNL     1       2.741   1.057  -6.280  1.00  0.00           O  
HETATM   26  O   UNL     1       0.661  -0.543  -6.442  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.068   0.556  -6.989  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.141   0.030  -7.946  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.940   1.208  -8.536  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.308   1.214  -9.185  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.068  -0.802  -7.230  1.00  0.00           O  
HETATM   32  P   UNL     1      -1.253   2.691 -10.351  1.00  0.00           P  
HETATM   33  O   UNL     1      -1.096   2.794 -11.950  1.00  0.00           O  
HETATM   34  O   UNL     1      -2.277   3.824  -9.839  1.00  0.00           O  
HETATM   35  O   UNL     1       0.065   2.893  -9.711  1.00  0.00           O  
HETATM   36  C   UNL     1      -3.405   0.917  -8.117  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.365  -0.606  -7.834  1.00  0.00           C  
HETATM   38  N   UNL     1      -4.431  -0.989  -6.905  1.00  0.00           N  
HETATM   39  C   UNL     1      -4.369  -0.945  -5.544  1.00  0.00           C  
HETATM   40  N   UNL     1      -5.493  -1.356  -5.034  1.00  0.00           N  
HETATM   41  C   UNL     1      -6.346  -1.690  -6.033  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.661  -2.182  -6.087  1.00  0.00           C  
HETATM   43  N   UNL     1      -8.373  -2.428  -4.926  1.00  0.00           N  
HETATM   44  N   UNL     1      -8.206  -2.404  -7.279  1.00  0.00           N  
HETATM   45  C   UNL     1      -7.535  -2.171  -8.392  1.00  0.00           C  
HETATM   46  N   UNL     1      -6.301  -1.711  -8.390  1.00  0.00           N  
HETATM   47  C   UNL     1      -5.676  -1.453  -7.246  1.00  0.00           C  
HETATM   48  N   UNL     1       3.122  -0.387   5.245  1.00  0.00           N  
HETATM   49  C   UNL     1       3.860   0.137   4.246  1.00  0.00           C  
HETATM   50  O   UNL     1       3.979   1.340   4.148  1.00  0.00           O  
HETATM   51  C   UNL     1       4.536  -0.770   3.251  1.00  0.00           C  
HETATM   52  C   UNL     1       5.302   0.073   2.230  1.00  0.00           C  
HETATM   53  N   UNL     1       5.959  -0.809   1.263  1.00  0.00           N  
HETATM   54  C   UNL     1       6.697  -0.284   0.264  1.00  0.00           C  
HETATM   55  O   UNL     1       6.761   0.919   0.126  1.00  0.00           O  
HETATM   56  C   UNL     1       7.440  -1.192  -0.680  1.00  0.00           C  
HETATM   57  O   UNL     1       8.336  -0.417  -1.479  1.00  0.00           O  
HETATM   58  C   UNL     1       6.441  -1.912  -1.587  1.00  0.00           C  
HETATM   59  C   UNL     1       5.547  -0.883  -2.280  1.00  0.00           C  
HETATM   60  C   UNL     1       5.577  -2.855  -0.747  1.00  0.00           C  
HETATM   61  C   UNL     1       7.200  -2.720  -2.641  1.00  0.00           C  
HETATM   62  C   UNL     1       2.465   0.495   6.212  1.00  0.00           C  
HETATM   63  C   UNL     1       1.699  -0.348   7.233  1.00  0.00           C  
HETATM   64  H   UNL     1      -3.472  -1.472  12.857  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.026  -1.531  13.893  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.970  -0.448  15.994  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.479   0.099  13.662  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.036   1.189  15.896  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.701   1.753  18.378  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.666   0.373  18.276  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.519   1.469  19.463  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.612  -1.084   8.888  1.00  0.00           H  
HETATM   73  H   UNL     1       0.833  -1.143   9.924  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.365  -1.483  11.445  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.410   0.756  13.163  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.856   0.815  12.127  1.00  0.00           H  
HETATM   77  H   UNL     1       5.091   0.023  -5.345  1.00  0.00           H  
HETATM   78  H   UNL     1       3.159   0.518  -6.965  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.543   1.115  -6.183  1.00  0.00           H  
HETATM   80  H   UNL     1       0.612   1.210  -7.533  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.674  -0.539  -8.748  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.601   2.151  -8.107  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.185   0.925  -8.897  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.753   3.678 -12.141  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.122   3.656 -10.278  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.672   1.473  -7.219  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.445  -1.171  -8.763  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.513  -0.616  -4.973  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.280  -2.768  -4.976  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.964  -2.262  -4.062  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.015  -2.365  -9.339  1.00  0.00           H  
HETATM   92  H   UNL     1       3.027  -1.349   5.323  1.00  0.00           H  
HETATM   93  H   UNL     1       3.784  -1.369   2.737  1.00  0.00           H  
HETATM   94  H   UNL     1       5.230  -1.428   3.774  1.00  0.00           H  
HETATM   95  H   UNL     1       6.053   0.672   2.745  1.00  0.00           H  
HETATM   96  H   UNL     1       4.608   0.731   1.708  1.00  0.00           H  
HETATM   97  H   UNL     1       5.864  -1.771   1.342  1.00  0.00           H  
HETATM   98  H   UNL     1       8.007  -1.926  -0.107  1.00  0.00           H  
HETATM   99  H   UNL     1       7.796   0.218  -1.968  1.00  0.00           H  
HETATM  100  H   UNL     1       5.006  -0.307  -1.529  1.00  0.00           H  
HETATM  101  H   UNL     1       6.162  -0.211  -2.879  1.00  0.00           H  
HETATM  102  H   UNL     1       4.944  -2.270  -0.080  1.00  0.00           H  
HETATM  103  H   UNL     1       4.952  -3.458  -1.405  1.00  0.00           H  
HETATM  104  H   UNL     1       6.220  -3.508  -0.157  1.00  0.00           H  
HETATM  105  H   UNL     1       7.867  -2.059  -3.196  1.00  0.00           H  
HETATM  106  H   UNL     1       7.786  -3.498  -2.151  1.00  0.00           H  
HETATM  107  H   UNL     1       6.490  -3.179  -3.329  1.00  0.00           H  
HETATM  108  H   UNL     1       3.217   1.094   6.727  1.00  0.00           H  
HETATM  109  H   UNL     1       1.771   1.153   5.690  1.00  0.00           H  
HETATM  110  H   UNL     1       0.948  -0.947   6.719  1.00  0.00           H  
HETATM  111  H   UNL     1       2.393  -1.006   7.756  1.00  0.00           H  
CONECT    1    2   16   64   65                                       
CONECT    2    1    3    6    6                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3    7    8                                       
CONECT    5    3    9    9   66                                       
CONECT    6    2    2    7   67                                       
CONECT    7    4    6   68                                            
CONECT    8    4   10   10   69                                       
CONECT    9    5    5   10   70                                       
CONECT   10    8    8    9   71                                       
CONECT   11   12   63                                                 
CONECT   12   11   13   72   73                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   74                                            
CONECT   16    1   15   75   76                                       
CONECT   17   18   59                                                 
CONECT   18   17   19   20   20                                       
CONECT   18   21                                                      
CONECT   19   18   77                                                 
CONECT   20   18   18                                                 
CONECT   21   18   23                                                 
CONECT   22   29   32                                                 
CONECT   23   21   24   24   25                                       
CONECT   23   26                                                      
CONECT   24   23   23                                                 
CONECT   25   23   78                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28   79   80                                       
CONECT   28   27   29   31   81                                       
CONECT   29   22   28   36   82                                       
CONECT   30   36   83                                                 
CONECT   31   28   37                                                 
CONECT   32   22   33   34   35                                       
CONECT   32   35                                                      
CONECT   33   32   84                                                 
CONECT   34   32   85                                                 
CONECT   35   32   32                                                 
CONECT   36   29   30   37   86                                       
CONECT   37   31   36   38   87                                       
CONECT   38   37   39   47                                            
CONECT   39   38   40   40   88                                       
CONECT   40   39   39   41                                            
CONECT   41   40   42   47   47                                       
CONECT   42   41   43   44   44                                       
CONECT   43   42   89   90                                            
CONECT   44   42   42   45                                            
CONECT   45   44   46   46   91                                       
CONECT   46   45   45   47                                            
CONECT   47   38   41   41   46                                       
CONECT   48   49   62   92                                            
CONECT   49   48   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   52   93   94                                       
CONECT   52   51   53   95   96                                       
CONECT   53   52   54   97                                            
CONECT   54   53   55   55   56                                       
CONECT   55   54   54                                                 
CONECT   56   54   57   58   98                                       
CONECT   57   56   99                                                 
CONECT   58   56   59   60   61                                       
CONECT   59   17   58  100  101                                       
CONECT   60   58  102  103  104                                       
CONECT   61   58  105  106  107                                       
CONECT   62   48   63  108  109                                       
CONECT   63   11   62  110  111                                       
CONECT   64    1                                                      
CONECT   65    1                                                      
CONECT   66    5                                                      
CONECT   67    6                                                      
CONECT   68    7                                                      
CONECT   69    8                                                      
CONECT   70    9                                                      
CONECT   71   10                                                      
CONECT   72   12                                                      
CONECT   73   12                                                      
CONECT   74   15                                                      
CONECT   75   16                                                      
CONECT   76   16                                                      
CONECT   77   19                                                      
CONECT   78   25                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   39                                                      
CONECT   89   43                                                      
CONECT   90   43                                                      
CONECT   91   45                                                      
CONECT   92   48                                                      
CONECT   93   51                                                      
CONECT   94   51                                                      
CONECT   95   52                                                      
CONECT   96   52                                                      
CONECT   97   53                                                      
CONECT   98   56                                                      
CONECT   99   57                                                      
CONECT  100   59                                                      
CONECT  101   59                                                      
CONECT  102   60                                                      
CONECT  103   60                                                      
CONECT  104   60                                                      
CONECT  105   61                                                      
CONECT  106   61                                                      
CONECT  107   61                                                      
CONECT  108   62                                                      
CONECT  109   62                                                      
CONECT  110   63                                                      
CONECT  111   63                                                      
MASTER        0    0    0    0    0    0    0    0  111    0  111    0
END
