COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.689  -1.399  -1.338  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.431  -1.118  -0.896  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.103  -1.413   0.438  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.102  -1.990   1.263  1.00  0.00           C  
HETATM    5  C   UNL     1     -11.368  -2.240   0.710  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.827  -1.154   0.972  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.570  -1.469   2.277  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.555  -2.030   3.086  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.800  -2.294   2.600  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.588  -0.374   0.809  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.648   0.239  -0.196  1.00  0.00           C  
HETATM   12  N   UNL     1     -11.604  -1.939  -0.545  1.00  0.00           N  
HETATM   13  O   UNL     1      -6.859  -0.601   0.197  1.00  0.00           O  
HETATM   14  O   UNL     1      -5.029   0.460  -1.326  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.047   0.826  -0.430  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.819   0.170   0.564  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.470   1.139  -0.817  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.670   2.655  -0.843  1.00  0.00           C  
HETATM   19  S   UNL     1      -4.383   3.031  -1.309  1.00  0.00           S  
HETATM   20  O   UNL     1      -5.245   2.556  -0.284  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.391   4.845  -1.276  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.593   2.601  -2.647  1.00  0.00           O  
HETATM   23  N   UNL     1      -3.384   0.542   0.160  1.00  0.00           N  
HETATM   24  C   UNL     1       3.689   1.806  -0.893  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.028   1.276  -1.189  1.00  0.00           N  
HETATM   26  O   UNL     1       4.534   1.360  -1.639  1.00  0.00           O  
HETATM   27  C   UNL     1       2.286   2.038  -1.394  1.00  0.00           C  
HETATM   28  C   UNL     1       0.907  -1.464  -0.700  1.00  0.00           C  
HETATM   29  C   UNL     1       1.743  -0.400  -1.365  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.627  -3.414   0.518  1.00  0.00           C  
HETATM   31  C   UNL     1       1.355   0.973  -0.813  1.00  0.00           C  
HETATM   32  O   UNL     1       2.271   1.958  -2.821  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.301  -1.839  -1.256  1.00  0.00           C  
HETATM   34  C   UNL     1       1.352  -2.067   0.461  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.069  -2.815  -0.646  1.00  0.00           C  
HETATM   36  C   UNL     1       0.582  -3.039   1.073  1.00  0.00           C  
HETATM   37  C   UNL     1       5.550   0.304   0.832  1.00  0.00           C  
HETATM   38  N   UNL     1       4.003   2.095   0.386  1.00  0.00           N  
HETATM   39  O   UNL     1       4.612  -0.459   0.732  1.00  0.00           O  
HETATM   40  C   UNL     1       5.305   1.786   0.958  1.00  0.00           C  
HETATM   41  C   UNL     1       5.426   2.186   2.446  1.00  0.00           C  
HETATM   42  C   UNL     1       3.053   2.748   1.307  1.00  0.00           C  
HETATM   43  C   UNL     1       6.058   3.571   2.593  1.00  0.00           C  
HETATM   44  C   UNL     1       6.215   1.138   3.234  1.00  0.00           C  
HETATM   45  S   UNL     1       3.657   2.207   2.959  1.00  0.00           S  
HETATM   46  N   UNL     1       6.810  -0.173   0.827  1.00  0.00           N  
HETATM   47  O   UNL     1       9.311  -0.879   1.278  1.00  0.00           O  
HETATM   48  C   UNL     1       7.048  -1.612   0.700  1.00  0.00           C  
HETATM   49  C   UNL     1       7.159  -1.999  -0.760  1.00  0.00           C  
HETATM   50  C   UNL     1       6.393  -1.621  -1.849  1.00  0.00           C  
HETATM   51  C   UNL     1       6.685  -2.110  -3.108  1.00  0.00           C  
HETATM   52  C   UNL     1       8.410  -1.988   1.322  1.00  0.00           C  
HETATM   53  C   UNL     1       8.221  -2.868  -0.933  1.00  0.00           C  
HETATM   54  C   UNL     1       8.512  -3.357  -2.196  1.00  0.00           C  
HETATM   55  C   UNL     1       7.746  -2.979  -3.281  1.00  0.00           C  
HETATM   56  C   UNL     1       8.895  -3.125   0.398  1.00  0.00           C  
HETATM   57  H   UNL     1     -10.948  -1.174  -2.362  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.700  -0.678  -1.559  1.00  0.00           H  
HETATM   59  H   UNL     1     -12.147  -2.679   1.317  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.590  -1.276   2.688  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.326  -2.265   4.115  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.551  -2.733   3.240  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.178  -1.322   1.158  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.708   0.303   1.655  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.676   0.728  -1.805  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.464   3.066   0.145  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.990   3.099  -1.571  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.660   5.224  -1.991  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.383   5.209  -1.543  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.134   5.191  -0.275  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.079   0.365   1.064  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.211   1.801  -1.984  1.00  0.00           H  
HETATM   73  H   UNL     1       1.948   3.026  -1.082  1.00  0.00           H  
HETATM   74  H   UNL     1       1.571  -0.422  -2.441  1.00  0.00           H  
HETATM   75  H   UNL     1       2.798  -0.588  -1.162  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.226  -4.176   0.994  1.00  0.00           H  
HETATM   77  H   UNL     1       1.443   0.966   0.273  1.00  0.00           H  
HETATM   78  H   UNL     1       2.562   1.104  -3.170  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.647  -1.371  -2.165  1.00  0.00           H  
HETATM   80  H   UNL     1       2.298  -1.776   0.893  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.013  -3.108  -1.080  1.00  0.00           H  
HETATM   82  H   UNL     1       0.928  -3.507   1.983  1.00  0.00           H  
HETATM   83  H   UNL     1       6.070   2.316   0.389  1.00  0.00           H  
HETATM   84  H   UNL     1       2.038   2.393   1.131  1.00  0.00           H  
HETATM   85  H   UNL     1       3.106   3.833   1.212  1.00  0.00           H  
HETATM   86  H   UNL     1       5.439   4.309   2.083  1.00  0.00           H  
HETATM   87  H   UNL     1       6.130   3.827   3.650  1.00  0.00           H  
HETATM   88  H   UNL     1       7.054   3.565   2.151  1.00  0.00           H  
HETATM   89  H   UNL     1       7.217   1.047   2.814  1.00  0.00           H  
HETATM   90  H   UNL     1       6.285   1.445   4.277  1.00  0.00           H  
HETATM   91  H   UNL     1       5.706   0.177   3.171  1.00  0.00           H  
HETATM   92  H   UNL     1       7.560   0.438   0.908  1.00  0.00           H  
HETATM   93  H   UNL     1      10.181  -1.064   1.657  1.00  0.00           H  
HETATM   94  H   UNL     1       6.246  -2.172   1.180  1.00  0.00           H  
HETATM   95  H   UNL     1       5.564  -0.942  -1.714  1.00  0.00           H  
HETATM   96  H   UNL     1       6.085  -1.814  -3.955  1.00  0.00           H  
HETATM   97  H   UNL     1       8.284  -2.346   2.343  1.00  0.00           H  
HETATM   98  H   UNL     1       9.341  -4.036  -2.332  1.00  0.00           H  
HETATM   99  H   UNL     1       7.975  -3.362  -4.265  1.00  0.00           H  
HETATM  100  H   UNL     1       8.589  -4.092   0.796  1.00  0.00           H  
HETATM  101  H   UNL     1       9.978  -3.086   0.286  1.00  0.00           H  
CONECT    1    2   12   12   57                                       
CONECT    2    3    3    1   58                                       
CONECT    3    6    2    2    4                                       
CONECT    4    3    9    5    5                                       
CONECT    5    4    4   12   59                                       
CONECT    6   13    7    7    3                                       
CONECT    7    6    6    8   60                                       
CONECT    8    9    9    7   61                                       
CONECT    9    4    8    8   62                                       
CONECT   10   11   13   63   64                                       
CONECT   11   23   14   14   10                                       
CONECT   12    5    1    1                                            
CONECT   13   10    6                                                 
CONECT   14   11   11                                                 
CONECT   15   25   17   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   23   65                                       
CONECT   18   17   19   66   67                                       
CONECT   19   18   22   22   20                                       
CONECT   19   20   21                                                 
CONECT   20   19   19                                                 
CONECT   21   19   68   69   70                                       
CONECT   22   19   19                                                 
CONECT   23   17   11   71                                            
CONECT   24   38   27   26   26                                       
CONECT   25   31   15   72                                            
CONECT   26   24   24                                                 
CONECT   27   24   32   31   73                                       
CONECT   28   29   33   33   34                                       
CONECT   29   31   28   74   75                                       
CONECT   30   35   35   36   76                                       
CONECT   31   27   25   29   77                                       
CONECT   32   27   78                                                 
CONECT   33   28   28   35   79                                       
CONECT   34   28   36   36   80                                       
CONECT   35   33   30   30   81                                       
CONECT   36   30   34   34   82                                       
CONECT   37   39   39   40   46                                       
CONECT   38   40   42   24                                            
CONECT   39   37   37                                                 
CONECT   40   37   41   38   83                                       
CONECT   41   40   43   45   44                                       
CONECT   42   45   38   84   85                                       
CONECT   43   41   86   87   88                                       
CONECT   44   41   89   90   91                                       
CONECT   45   41   42                                                 
CONECT   46   37   48   92                                            
CONECT   47   52   93                                                 
CONECT   48   46   52   49   94                                       
CONECT   49   48   50   50   53                                       
CONECT   50   49   49   51   95                                       
CONECT   51   50   55   55   96                                       
CONECT   52   48   56   47   97                                       
CONECT   53   49   54   54   56                                       
CONECT   54   55   53   53   98                                       
CONECT   55   51   51   54   99                                       
CONECT   56   53   52  100  101                                       
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    5                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   23                                                      
CONECT   72   25                                                      
CONECT   73   27                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   40                                                      
CONECT   84   42                                                      
CONECT   85   42                                                      
CONECT   86   43                                                      
CONECT   87   43                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
CONECT   90   44                                                      
CONECT   91   44                                                      
CONECT   92   46                                                      
CONECT   93   47                                                      
CONECT   94   48                                                      
CONECT   95   50                                                      
CONECT   96   51                                                      
CONECT   97   52                                                      
CONECT   98   54                                                      
CONECT   99   55                                                      
CONECT  100   56                                                      
CONECT  101   56                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
