COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.503  -1.727  -0.260  1.00  0.00           C  
HETATM    2  O   UNL     1       0.571  -1.284  -0.901  1.00  0.00           O  
HETATM    3  O   UNL     1       2.531  -2.324  -0.892  1.00  0.00           O  
HETATM    4  C   UNL     1       2.262  -3.602  -1.527  1.00  0.00           C  
HETATM    5  C   UNL     1       1.089  -4.323  -0.817  1.00  0.00           C  
HETATM    6  C   UNL     1       0.561  -5.278  -1.916  1.00  0.00           C  
HETATM    7  C   UNL     1       0.678  -4.459  -3.218  1.00  0.00           C  
HETATM    8  C   UNL     1       1.760  -3.393  -2.970  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.451  -1.301   2.477  1.00  0.00           C  
HETATM   10  C   UNL     1       0.497  -2.310   1.881  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.736  -1.356   3.655  1.00  0.00           O  
HETATM   12  N   UNL     1       1.511  -1.617   1.083  1.00  0.00           N  
HETATM   13  C   UNL     1       1.179  -3.091   3.007  1.00  0.00           C  
HETATM   14  C   UNL     1       2.180  -4.081   2.409  1.00  0.00           C  
HETATM   15  C   UNL     1       3.604  -3.586   2.668  1.00  0.00           C  
HETATM   16  C   UNL     1       4.376  -3.546   1.347  1.00  0.00           C  
HETATM   17  C   UNL     1       4.287  -2.140   0.750  1.00  0.00           C  
HETATM   18  C   UNL     1       3.270   0.576  -2.724  1.00  0.00           C  
HETATM   19  C   UNL     1       2.681   0.572  -1.314  1.00  0.00           C  
HETATM   20  C   UNL     1       3.548  -0.597  -1.783  1.00  0.00           C  
HETATM   21  N   UNL     1       1.233   0.310  -1.198  1.00  0.00           N  
HETATM   22  O   UNL     1       4.004   1.104   0.564  1.00  0.00           O  
HETATM   23  C   UNL     1       3.267   1.521  -0.304  1.00  0.00           C  
HETATM   24  C   UNL     1       4.950  -0.698  -1.180  1.00  0.00           C  
HETATM   25  C   UNL     1       5.126  -2.073  -0.528  1.00  0.00           C  
HETATM   26  N   UNL     1       2.973   2.835  -0.364  1.00  0.00           N  
HETATM   27  S   UNL     1       4.091   3.957   0.118  1.00  0.00           S  
HETATM   28  O   UNL     1       3.434   5.205  -0.058  1.00  0.00           O  
HETATM   29  O   UNL     1       4.496   3.517   1.407  1.00  0.00           O  
HETATM   30  C   UNL     1       5.450   3.780  -1.071  1.00  0.00           C  
HETATM   31  C   UNL     1       6.663   4.696  -0.898  1.00  0.00           C  
HETATM   32  C   UNL     1       5.685   4.930  -2.052  1.00  0.00           C  
HETATM   33  N   UNL     1      -0.976  -0.333   1.699  1.00  0.00           N  
HETATM   34  C   UNL     1      -0.702  -0.169   0.269  1.00  0.00           C  
HETATM   35  C   UNL     1       0.752   0.174   0.071  1.00  0.00           C  
HETATM   36  O   UNL     1       1.484   0.327   1.026  1.00  0.00           O  
HETATM   37  C   UNL     1      -1.587   0.960  -0.260  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.529   1.343   0.893  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.899   0.708   2.140  1.00  0.00           C  
HETATM   40  O   UNL     1      -3.856   0.801   0.664  1.00  0.00           O  
HETATM   41  C   UNL     1      -4.894   1.493   1.168  1.00  0.00           C  
HETATM   42  N   UNL     1      -6.153   1.044   0.992  1.00  0.00           N  
HETATM   43  O   UNL     1      -4.697   2.523   1.783  1.00  0.00           O  
HETATM   44  C   UNL     1      -6.425  -0.195   0.256  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.579   0.019  -0.690  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.380   1.138  -0.635  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.155   2.255   0.349  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.310   1.775   1.536  1.00  0.00           C  
HETATM   49  C   UNL     1      -7.827  -0.961  -1.642  1.00  0.00           C  
HETATM   50  C   UNL     1      -8.875  -0.826  -2.530  1.00  0.00           C  
HETATM   51  C   UNL     1      -9.685   0.292  -2.469  1.00  0.00           C  
HETATM   52  C   UNL     1      -9.438   1.268  -1.526  1.00  0.00           C  
HETATM   53  H   UNL     1       3.156  -4.226  -1.520  1.00  0.00           H  
HETATM   54  H   UNL     1       1.447  -4.887   0.045  1.00  0.00           H  
HETATM   55  H   UNL     1       0.321  -3.610  -0.519  1.00  0.00           H  
HETATM   56  H   UNL     1       1.179  -6.175  -1.972  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.479  -5.542  -1.724  1.00  0.00           H  
HETATM   58  H   UNL     1       0.975  -5.108  -4.042  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.273  -3.979  -3.444  1.00  0.00           H  
HETATM   60  H   UNL     1       1.334  -2.396  -3.077  1.00  0.00           H  
HETATM   61  H   UNL     1       2.582  -3.525  -3.674  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.058  -2.999   1.245  1.00  0.00           H  
HETATM   63  H   UNL     1       2.188  -1.078   1.521  1.00  0.00           H  
HETATM   64  H   UNL     1       1.703  -2.398   3.664  1.00  0.00           H  
HETATM   65  H   UNL     1       0.427  -3.635   3.578  1.00  0.00           H  
HETATM   66  H   UNL     1       2.045  -5.058   2.873  1.00  0.00           H  
HETATM   67  H   UNL     1       2.013  -4.163   1.335  1.00  0.00           H  
HETATM   68  H   UNL     1       3.568  -2.585   3.099  1.00  0.00           H  
HETATM   69  H   UNL     1       4.104  -4.262   3.361  1.00  0.00           H  
HETATM   70  H   UNL     1       5.421  -3.798   1.528  1.00  0.00           H  
HETATM   71  H   UNL     1       3.944  -4.264   0.651  1.00  0.00           H  
HETATM   72  H   UNL     1       3.248  -1.910   0.515  1.00  0.00           H  
HETATM   73  H   UNL     1       4.666  -1.415   1.471  1.00  0.00           H  
HETATM   74  H   UNL     1       2.586   0.403  -3.556  1.00  0.00           H  
HETATM   75  H   UNL     1       4.089   1.265  -2.926  1.00  0.00           H  
HETATM   76  H   UNL     1       3.050  -1.542  -2.002  1.00  0.00           H  
HETATM   77  H   UNL     1       0.659   0.239  -1.977  1.00  0.00           H  
HETATM   78  H   UNL     1       5.694  -0.571  -1.967  1.00  0.00           H  
HETATM   79  H   UNL     1       5.080   0.080  -0.428  1.00  0.00           H  
HETATM   80  H   UNL     1       6.177  -2.227  -0.282  1.00  0.00           H  
HETATM   81  H   UNL     1       4.797  -2.848  -1.220  1.00  0.00           H  
HETATM   82  H   UNL     1       2.105   3.123  -0.689  1.00  0.00           H  
HETATM   83  H   UNL     1       5.632   2.767  -1.430  1.00  0.00           H  
HETATM   84  H   UNL     1       6.645   5.405  -0.070  1.00  0.00           H  
HETATM   85  H   UNL     1       7.643   4.286  -1.144  1.00  0.00           H  
HETATM   86  H   UNL     1       6.021   4.674  -3.056  1.00  0.00           H  
HETATM   87  H   UNL     1       5.023   5.793  -1.983  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.930  -1.098  -0.257  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.975   1.816  -0.544  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.166   0.613  -1.117  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.575   2.427   1.001  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.678   0.270   2.764  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.357   1.466   2.706  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.539  -0.481  -0.312  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.675  -0.988   0.960  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.639   3.077  -0.148  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.119   2.607   0.715  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.901   1.112   2.168  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.966   2.631   2.117  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.195  -1.835  -1.689  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.061  -1.591  -3.269  1.00  0.00           H  
HETATM  102  H   UNL     1     -10.509   0.402  -3.158  1.00  0.00           H  
HETATM  103  H   UNL     1     -10.073   2.140  -1.480  1.00  0.00           H  
CONECT    1   12    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5    8   53                                       
CONECT    5    6    4   54   55                                       
CONECT    6    5    7   56   57                                       
CONECT    7    6    8   58   59                                       
CONECT    8    4    7   60   61                                       
CONECT    9   11   11   33   10                                       
CONECT   10    9   13   12   62                                       
CONECT   11    9    9                                                 
CONECT   12   10    1   63                                            
CONECT   13   14   10   64   65                                       
CONECT   14   15   13   66   67                                       
CONECT   15   16   14   68   69                                       
CONECT   16   17   15   70   71                                       
CONECT   17   25   16   72   73                                       
CONECT   18   19   20   74   75                                       
CONECT   19   23   18   20   21                                       
CONECT   20   18   19   24   76                                       
CONECT   21   19   35   77                                            
CONECT   22   23   23                                                 
CONECT   23   22   22   26   19                                       
CONECT   24   25   20   78   79                                       
CONECT   25   24   17   80   81                                       
CONECT   26   27   23   82                                            
CONECT   27   29   29   28   28                                       
CONECT   27   30   26                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30   32   31   27   83                                       
CONECT   31   32   30   84   85                                       
CONECT   32   31   30   86   87                                       
CONECT   33   34    9   39                                            
CONECT   34   35   37   33   88                                       
CONECT   35   21   36   36   34                                       
CONECT   36   35   35                                                 
CONECT   37   34   38   89   90                                       
CONECT   38   37   39   40   91                                       
CONECT   39   33   38   92   93                                       
CONECT   40   38   41                                                 
CONECT   41   43   43   40   42                                       
CONECT   42   41   44   48                                            
CONECT   43   41   41                                                 
CONECT   44   42   45   94   95                                       
CONECT   45   44   46   46   49                                       
CONECT   46   47   45   45   52                                       
CONECT   47   48   46   96   97                                       
CONECT   48   42   47   98   99                                       
CONECT   49   45   50   50  100                                       
CONECT   50   49   49   51  101                                       
CONECT   51   52   52   50  102                                       
CONECT   52   46   51   51  103                                       
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62   10                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   18                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   24                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   25                                                      
CONECT   82   26                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   32                                                      
CONECT   88   34                                                      
CONECT   89   37                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   39                                                      
CONECT   94   44                                                      
CONECT   95   44                                                      
CONECT   96   47                                                      
CONECT   97   47                                                      
CONECT   98   48                                                      
CONECT   99   48                                                      
CONECT  100   49                                                      
CONECT  101   50                                                      
CONECT  102   51                                                      
CONECT  103   52                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
