COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.711  -0.167  -0.113  1.00  0.00           C  
HETATM    2  C   UNL     1       0.612   0.118  -0.790  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.491  -2.721   0.463  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.048  -3.335   1.569  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.479  -3.161   2.817  1.00  0.00           C  
HETATM    6  C   UNL     1       0.647  -2.372   2.959  1.00  0.00           C  
HETATM    7  C   UNL     1       1.204  -1.757   1.853  1.00  0.00           C  
HETATM    8  C   UNL     1       1.315   0.847  -1.936  1.00  0.00           C  
HETATM    9  C   UNL     1       2.750   1.113  -1.559  1.00  0.00           C  
HETATM   10  C   UNL     1       1.985   2.619   0.251  1.00  0.00           C  
HETATM   11  C   UNL     1       4.480   3.234   1.051  1.00  0.00           C  
HETATM   12  C   UNL     1       4.400   2.237  -0.127  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.921  -3.084   0.571  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.817  -1.872   0.552  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.185  -2.026   0.439  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.009  -0.909   0.422  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.458   0.362   0.519  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.090   0.514   0.632  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.267  -0.603   0.655  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.921  -0.452   0.773  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.174  -0.323  -0.439  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.344  -0.166   1.043  1.00  0.00           O  
HETATM   23  N   UNL     1      -0.810  -0.034  -1.106  1.00  0.00           N  
HETATM   24  C   UNL     1       1.243  -1.263  -0.601  1.00  0.00           C  
HETATM   25  C   UNL     1       0.635  -1.932   0.605  1.00  0.00           C  
HETATM   26  O   UNL     1       3.648   0.579  -2.175  1.00  0.00           O  
HETATM   27  N   UNL     1       3.035   1.942  -0.536  1.00  0.00           N  
HETATM   28  S   UNL     1       2.861   4.101   0.902  1.00  0.00           S  
HETATM   29  C   UNL     1       5.071   0.951   0.281  1.00  0.00           C  
HETATM   30  O   UNL     1       4.403   0.006   0.644  1.00  0.00           O  
HETATM   31  N   UNL     1       6.415   0.850   0.242  1.00  0.00           N  
HETATM   32  C   UNL     1       7.068  -0.400   0.639  1.00  0.00           C  
HETATM   33  C   UNL     1       8.510  -0.124   1.112  1.00  0.00           C  
HETATM   34  C   UNL     1       9.264  -1.380   0.628  1.00  0.00           C  
HETATM   35  C   UNL     1       8.474  -1.883  -0.562  1.00  0.00           C  
HETATM   36  C   UNL     1       8.831  -2.762  -1.570  1.00  0.00           C  
HETATM   37  C   UNL     1       7.931  -3.077  -2.569  1.00  0.00           C  
HETATM   38  C   UNL     1       6.668  -2.514  -2.562  1.00  0.00           C  
HETATM   39  C   UNL     1       6.310  -1.637  -1.557  1.00  0.00           C  
HETATM   40  C   UNL     1       7.212  -1.319  -0.555  1.00  0.00           C  
HETATM   41  O   UNL     1       9.032   1.053   0.492  1.00  0.00           O  
HETATM   42  C   UNL     1       4.588   2.499   2.388  1.00  0.00           C  
HETATM   43  C   UNL     1       5.644   4.209   0.867  1.00  0.00           C  
HETATM   44  O   UNL     1       1.274   0.036  -3.112  1.00  0.00           O  
HETATM   45  C   UNL     1      -5.492   1.893   0.737  1.00  0.00           C  
HETATM   46  N   UNL     1      -9.396  -1.064   0.307  1.00  0.00           N  
HETATM   47  C   UNL     1      -9.977  -2.405   0.204  1.00  0.00           C  
HETATM   48  C   UNL     1     -10.265   0.115   0.289  1.00  0.00           C  
HETATM   49  C   UNL     1     -10.455   0.586  -1.155  1.00  0.00           C  
HETATM   50  N   UNL     1     -11.328   1.768  -1.173  1.00  0.00           N  
HETATM   51  C   UNL     1     -10.680   2.910  -0.514  1.00  0.00           C  
HETATM   52  C   UNL     1     -11.726   2.108  -2.545  1.00  0.00           C  
HETATM   53  H   UNL     1       0.720   0.696   0.128  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.933  -2.861  -0.512  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.928  -3.951   1.459  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.915  -3.640   3.681  1.00  0.00           H  
HETATM   57  H   UNL     1       1.092  -2.235   3.933  1.00  0.00           H  
HETATM   58  H   UNL     1       2.084  -1.141   1.963  1.00  0.00           H  
HETATM   59  H   UNL     1       0.809   1.793  -2.130  1.00  0.00           H  
HETATM   60  H   UNL     1       1.151   2.912  -0.388  1.00  0.00           H  
HETATM   61  H   UNL     1       1.640   1.984   1.067  1.00  0.00           H  
HETATM   62  H   UNL     1       4.938   2.655  -0.978  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.626  -3.333  -0.448  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.033  -2.870   1.165  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.458  -3.926   1.009  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.613  -3.015   0.363  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.099   1.231   0.505  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.520   0.553  -0.987  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.317  -1.214  -1.050  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.103  -0.039  -2.031  1.00  0.00           H  
HETATM   71  H   UNL     1       1.058  -1.871  -1.486  1.00  0.00           H  
HETATM   72  H   UNL     1       2.318  -1.155  -0.453  1.00  0.00           H  
HETATM   73  H   UNL     1       6.949   1.605  -0.048  1.00  0.00           H  
HETATM   74  H   UNL     1       6.497  -0.890   1.428  1.00  0.00           H  
HETATM   75  H   UNL     1       8.552  -0.042   2.198  1.00  0.00           H  
HETATM   76  H   UNL     1      10.279  -1.120   0.325  1.00  0.00           H  
HETATM   77  H   UNL     1       9.286  -2.136   1.413  1.00  0.00           H  
HETATM   78  H   UNL     1       9.818  -3.202  -1.576  1.00  0.00           H  
HETATM   79  H   UNL     1       8.212  -3.763  -3.354  1.00  0.00           H  
HETATM   80  H   UNL     1       5.963  -2.759  -3.343  1.00  0.00           H  
HETATM   81  H   UNL     1       5.324  -1.197  -1.553  1.00  0.00           H  
HETATM   82  H   UNL     1       9.937   1.269   0.757  1.00  0.00           H  
HETATM   83  H   UNL     1       5.487   1.882   2.391  1.00  0.00           H  
HETATM   84  H   UNL     1       4.643   3.225   3.199  1.00  0.00           H  
HETATM   85  H   UNL     1       3.712   1.865   2.526  1.00  0.00           H  
HETATM   86  H   UNL     1       5.506   4.771  -0.057  1.00  0.00           H  
HETATM   87  H   UNL     1       5.677   4.900   1.710  1.00  0.00           H  
HETATM   88  H   UNL     1       6.580   3.653   0.817  1.00  0.00           H  
HETATM   89  H   UNL     1       1.707  -0.823  -3.013  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.427   2.182   1.786  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.494   1.890   0.299  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.121   2.604   0.202  1.00  0.00           H  
HETATM   93  H   UNL     1     -10.201  -2.781   1.202  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.895  -2.359  -0.382  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.267  -3.072  -0.285  1.00  0.00           H  
HETATM   96  H   UNL     1     -11.234  -0.142   0.717  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.809   0.912   0.874  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.487   0.843  -1.584  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.912  -0.212  -1.740  1.00  0.00           H  
HETATM  100  H   UNL     1      -9.753   3.152  -1.034  1.00  0.00           H  
HETATM  101  H   UNL     1     -11.347   3.772  -0.542  1.00  0.00           H  
HETATM  102  H   UNL     1     -10.459   2.655   0.522  1.00  0.00           H  
HETATM  103  H   UNL     1     -12.264   1.269  -2.986  1.00  0.00           H  
HETATM  104  H   UNL     1     -12.371   2.986  -2.530  1.00  0.00           H  
HETATM  105  H   UNL     1     -10.837   2.320  -3.139  1.00  0.00           H  
CONECT    1   21   22   22   23                                       
CONECT    2    8   23   24   53                                       
CONECT    3    4    4   25   54                                       
CONECT    4    3    3    5   55                                       
CONECT    5    4    6    6   56                                       
CONECT    6    5    5    7   57                                       
CONECT    7    6   25   25   58                                       
CONECT    8    2    9   44   59                                       
CONECT    9    8   26   26   27                                       
CONECT   10   28   60   61   27                                       
CONECT   11   12   28   42   43                                       
CONECT   12   11   27   29   62                                       
CONECT   13   14   63   64   65                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   66                                       
CONECT   16   15   17   17   46                                       
CONECT   17   16   16   18   67                                       
CONECT   18   17   19   19   45                                       
CONECT   19   14   18   18   20                                       
CONECT   20   19   21                                                 
CONECT   21    1   20   68   69                                       
CONECT   22    1    1                                                 
CONECT   23    1    2   70                                            
CONECT   24    2   25   71   72                                       
CONECT   25    3    7    7   24                                       
CONECT   26    9    9                                                 
CONECT   27    9   12   10                                            
CONECT   28   10   11                                                 
CONECT   29   12   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   32   73                                            
CONECT   32   31   33   40   74                                       
CONECT   33   32   34   41   75                                       
CONECT   34   33   35   76   77                                       
CONECT   35   34   36   36   40                                       
CONECT   36   35   35   37   78                                       
CONECT   37   36   38   38   79                                       
CONECT   38   37   37   39   80                                       
CONECT   39   38   40   40   81                                       
CONECT   40   32   35   39   39                                       
CONECT   41   33   82                                                 
CONECT   42   11   83   84   85                                       
CONECT   43   11   86   87   88                                       
CONECT   44    8   89                                                 
CONECT   45   18   90   91   92                                       
CONECT   46   16   47   48                                            
CONECT   47   46   93   94   95                                       
CONECT   48   46   49   96   97                                       
CONECT   49   48   50   98   99                                       
CONECT   50   49   51   52                                            
CONECT   51   50  100  101  102                                       
CONECT   52   50  103  104  105                                       
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   13                                                      
CONECT   66   15                                                      
CONECT   67   17                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   41                                                      
CONECT   83   42                                                      
CONECT   84   42                                                      
CONECT   85   42                                                      
CONECT   86   43                                                      
CONECT   87   43                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
CONECT   90   45                                                      
CONECT   91   45                                                      
CONECT   92   45                                                      
CONECT   93   47                                                      
CONECT   94   47                                                      
CONECT   95   47                                                      
CONECT   96   48                                                      
CONECT   97   48                                                      
CONECT   98   49                                                      
CONECT   99   49                                                      
CONECT  100   51                                                      
CONECT  101   51                                                      
CONECT  102   51                                                      
CONECT  103   52                                                      
CONECT  104   52                                                      
CONECT  105   52                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
