COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.773   0.306   1.818  1.00  0.00           C  
HETATM    2  N   UNL     1       0.567   1.294   2.020  1.00  0.00           N  
HETATM    3  O   UNL     1       2.872   0.973   0.809  1.00  0.00           O  
HETATM    4  C   UNL     1       1.510   0.365   2.639  1.00  0.00           C  
HETATM    5  C   UNL     1       0.874  -1.029   2.703  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.414  -0.917   1.863  1.00  0.00           C  
HETATM    7  C   UNL     1       0.794   2.602   1.780  1.00  0.00           C  
HETATM    8  O   UNL     1       1.900   3.063   1.970  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.307   3.494   1.278  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.693   3.083  -0.085  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.854   3.611  -0.563  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.265   3.288  -1.803  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.518   3.382   2.207  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.512   4.367   0.123  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.962  -2.743   2.286  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.364  -3.648   2.835  1.00  0.00           O  
HETATM   17  N   UNL     1      -2.976  -3.115   1.512  1.00  0.00           N  
HETATM   18  C   UNL     1       6.794   0.982   0.276  1.00  0.00           C  
HETATM   19  C   UNL     1       7.663   2.201   0.595  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.592   2.519   1.542  1.00  0.00           C  
HETATM   21  N   UNL     1       3.789  -0.492   2.201  1.00  0.00           N  
HETATM   22  C   UNL     1       5.005  -0.570   1.388  1.00  0.00           C  
HETATM   23  C   UNL     1       4.837  -1.187   0.024  1.00  0.00           C  
HETATM   24  C   UNL     1       6.024   0.563   1.530  1.00  0.00           C  
HETATM   25  C   UNL     1       6.328  -0.817   2.117  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.816  -4.313   1.660  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.010  -4.131   0.754  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.789  -3.039  -0.062  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.471  -2.410   0.317  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.192  -4.842   0.648  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.141  -4.476  -0.287  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.907  -3.401  -1.125  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.728  -2.688  -1.018  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.449  -1.541  -1.954  1.00  0.00           C  
HETATM   35  N   UNL     1       5.922  -1.511  -0.708  1.00  0.00           N  
HETATM   36  O   UNL     1       3.725  -1.392  -0.416  1.00  0.00           O  
HETATM   37  S   UNL     1       5.741  -2.039  -2.267  1.00  0.00           S  
HETATM   38  C   UNL     1       5.053  -0.612  -3.151  1.00  0.00           C  
HETATM   39  O   UNL     1       7.067  -2.304  -2.703  1.00  0.00           O  
HETATM   40  O   UNL     1       4.778  -3.080  -2.175  1.00  0.00           O  
HETATM   41  C   UNL     1       5.947   0.077  -4.184  1.00  0.00           C  
HETATM   42  C   UNL     1       4.765  -0.778  -4.645  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.105  -0.266  -1.425  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.894   0.870  -2.429  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.019   1.955  -1.797  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.393   2.813  -2.898  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.505   3.886  -2.265  1.00  0.00           C  
HETATM   48  C   UNL     1      -3.549   1.927  -3.816  1.00  0.00           C  
HETATM   49  C   UNL     1      -5.501   3.483  -3.713  1.00  0.00           C  
HETATM   50  C   UNL     1      -1.090   2.736   3.526  1.00  0.00           C  
HETATM   51  C   UNL     1      -2.081   4.777   2.482  1.00  0.00           C  
HETATM   52  C   UNL     1      -0.669   0.586   1.691  1.00  0.00           C  
HETATM   53  O   UNL     1      -1.518  -1.539   2.540  1.00  0.00           O  
HETATM   54  H   UNL     1       1.747   0.703   3.648  1.00  0.00           H  
HETATM   55  H   UNL     1       1.545  -1.772   2.271  1.00  0.00           H  
HETATM   56  H   UNL     1       0.634  -1.290   3.734  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.250  -1.376   0.886  1.00  0.00           H  
HETATM   58  H   UNL     1       0.042   4.527   1.260  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.152   2.472  -0.610  1.00  0.00           H  
HETATM   60  H   UNL     1       6.088   1.236  -0.515  1.00  0.00           H  
HETATM   61  H   UNL     1       7.428   0.159  -0.053  1.00  0.00           H  
HETATM   62  H   UNL     1       8.211   2.499  -0.299  1.00  0.00           H  
HETATM   63  H   UNL     1       7.028   3.023   0.924  1.00  0.00           H  
HETATM   64  H   UNL     1       8.368   1.947   1.386  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.531   2.626   2.084  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.730   2.842   0.510  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.281   1.475   1.557  1.00  0.00           H  
HETATM   68  H   UNL     1       3.715  -1.015   3.015  1.00  0.00           H  
HETATM   69  H   UNL     1       5.789   1.367   2.228  1.00  0.00           H  
HETATM   70  H   UNL     1       6.293  -0.921   3.202  1.00  0.00           H  
HETATM   71  H   UNL     1       7.076  -1.426   1.610  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.256  -5.199   1.362  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.146  -4.410   2.694  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.616  -1.354   0.543  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.759  -2.520  -0.501  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.374  -5.685   1.299  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.065  -5.030  -0.364  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.644  -3.120  -1.862  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.373  -1.390  -2.030  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.852  -1.773  -2.940  1.00  0.00           H  
HETATM   81  H   UNL     1       6.808  -1.435  -0.321  1.00  0.00           H  
HETATM   82  H   UNL     1       4.374   0.016  -2.574  1.00  0.00           H  
HETATM   83  H   UNL     1       5.856   1.158  -4.287  1.00  0.00           H  
HETATM   84  H   UNL     1       6.949  -0.327  -4.332  1.00  0.00           H  
HETATM   85  H   UNL     1       4.989  -1.745  -5.096  1.00  0.00           H  
HETATM   86  H   UNL     1       3.896  -0.259  -5.050  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.173  -0.436  -1.288  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.655   0.005  -0.470  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.402   0.480  -3.320  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.859   1.296  -2.703  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.631   2.584  -1.150  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.230   1.487  -1.208  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.027   4.336  -1.420  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.283   4.655  -3.004  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.181   1.163  -4.267  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.103   2.539  -4.601  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.760   1.450  -3.235  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.103   4.114  -3.059  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.055   4.095  -4.498  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.134   2.719  -4.164  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.324   3.350   4.000  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.952   2.655   4.188  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.688   1.742   3.330  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.170   4.729   2.518  1.00  0.00           H  
HETATM  105  H   UNL     1      -1.702   5.141   3.436  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.774   5.456   1.686  1.00  0.00           H  
HETATM  107  H   UNL     1      -1.467   0.903   2.363  1.00  0.00           H  
HETATM  108  H   UNL     1      -0.952   0.796   0.659  1.00  0.00           H  
CONECT    1   21    3    3    4                                       
CONECT    2    7    4   52                                            
CONECT    3    1    1                                                 
CONECT    4    2    1    5   54                                       
CONECT    5    4    6   55   56                                       
CONECT    6    5   53   52   57                                       
CONECT    7    2    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   13   58                                       
CONECT   10    9   11   59                                            
CONECT   11   10   12   14   14                                       
CONECT   12   11   47                                                 
CONECT   13    9   50   20   51                                       
CONECT   14   11   11                                                 
CONECT   15   17   16   16   53                                       
CONECT   16   15   15                                                 
CONECT   17   15   26   29                                            
CONECT   18   24   19   60   61                                       
CONECT   19   18   62   63   64                                       
CONECT   20   13   65   66   67                                       
CONECT   21    1   22   68                                            
CONECT   22   21   24   25   23                                       
CONECT   23   22   36   36   35                                       
CONECT   24   18   22   25   69                                       
CONECT   25   22   24   70   71                                       
CONECT   26   17   27   72   73                                       
CONECT   27   26   28   28   30                                       
CONECT   28   27   27   33   29                                       
CONECT   29   17   28   74   75                                       
CONECT   30   27   31   31   76                                       
CONECT   31   30   30   32   77                                       
CONECT   32   31   33   33   78                                       
CONECT   33   28   32   32   34                                       
CONECT   34   33   43   79   80                                       
CONECT   35   23   37   81                                            
CONECT   36   23   23                                                 
CONECT   37   35   40   40   38                                       
CONECT   37   39   39                                                 
CONECT   38   37   42   41   82                                       
CONECT   39   37   37                                                 
CONECT   40   37   37                                                 
CONECT   41   38   42   83   84                                       
CONECT   42   38   41   85   86                                       
CONECT   43   34   44   87   88                                       
CONECT   44   43   45   89   90                                       
CONECT   45   44   46   91   92                                       
CONECT   46   45   48   49   47                                       
CONECT   47   12   46   93   94                                       
CONECT   48   46   95   96   97                                       
CONECT   49   46   98   99  100                                       
CONECT   50   13  101  102  103                                       
CONECT   51   13  104  105  106                                       
CONECT   52    2    6  107  108                                       
CONECT   53    6   15                                                 
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   38                                                      
CONECT   83   41                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
CONECT   90   44                                                      
CONECT   91   45                                                      
CONECT   92   45                                                      
CONECT   93   47                                                      
CONECT   94   47                                                      
CONECT   95   48                                                      
CONECT   96   48                                                      
CONECT   97   48                                                      
CONECT   98   49                                                      
CONECT   99   49                                                      
CONECT  100   49                                                      
CONECT  101   50                                                      
CONECT  102   50                                                      
CONECT  103   50                                                      
CONECT  104   51                                                      
CONECT  105   51                                                      
CONECT  106   51                                                      
CONECT  107   52                                                      
CONECT  108   52                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
