COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.333   2.772  -0.021  1.00  0.00           C  
HETATM    2  C   UNL     1       7.154   1.535   0.351  1.00  0.00           C  
HETATM    3  C   UNL     1       4.954   2.684   0.635  1.00  0.00           C  
HETATM    4  C   UNL     1       8.574   1.681  -0.201  1.00  0.00           C  
HETATM    5  S   UNL     1       9.547   0.215   0.240  1.00  0.00           S  
HETATM    6  C   UNL     1      11.124   0.559  -0.467  1.00  0.00           C  
HETATM    7  N   UNL     1       4.165   3.871   0.278  1.00  0.00           N  
HETATM    8  C   UNL     1       3.868   3.892  -1.161  1.00  0.00           C  
HETATM    9  C   UNL     1       2.931   3.942   1.071  1.00  0.00           C  
HETATM   10  C   UNL     1      12.161  -0.357  -0.336  1.00  0.00           C  
HETATM   11  C   UNL     1      13.395  -0.084  -0.891  1.00  0.00           C  
HETATM   12  C   UNL     1      13.600   1.098  -1.579  1.00  0.00           C  
HETATM   13  C   UNL     1      12.570   2.012  -1.711  1.00  0.00           C  
HETATM   14  C   UNL     1      11.332   1.743  -1.164  1.00  0.00           C  
HETATM   15  N   UNL     1       6.527   0.342  -0.223  1.00  0.00           N  
HETATM   16  C   UNL     1       4.163  -0.569   2.439  1.00  0.00           C  
HETATM   17  C   UNL     1       3.450  -1.580   1.820  1.00  0.00           C  
HETATM   18  C   UNL     1       3.757  -1.954   0.525  1.00  0.00           C  
HETATM   19  C   UNL     1       4.777  -1.319  -0.156  1.00  0.00           C  
HETATM   20  C   UNL     1       5.495  -0.303   0.463  1.00  0.00           C  
HETATM   21  C   UNL     1       5.184   0.071   1.764  1.00  0.00           C  
HETATM   22  S   UNL     1       2.148  -2.394   2.685  1.00  0.00           S  
HETATM   23  O   UNL     1       1.995  -3.667   2.074  1.00  0.00           O  
HETATM   24  O   UNL     1       2.419  -2.224   4.070  1.00  0.00           O  
HETATM   25  C   UNL     1     -10.971   3.356   1.887  1.00  0.00           C  
HETATM   26  C   UNL     1     -10.874   2.037   1.493  1.00  0.00           C  
HETATM   27  C   UNL     1     -10.043   1.689   0.431  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.313   2.676  -0.229  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.417   3.992   0.174  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.249   4.333   1.225  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.934   0.272   0.003  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.557  -0.708   0.919  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.458  -2.024   0.517  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.731  -2.372  -0.795  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.105  -1.402  -1.709  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.214  -0.084  -1.315  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.411   2.307  -1.378  1.00  0.00           C  
HETATM   38  N   UNL     1      -7.210   1.637  -0.863  1.00  0.00           N  
HETATM   39  C   UNL     1      -6.322   2.594  -0.188  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.124   1.846   0.402  1.00  0.00           C  
HETATM   41  N   UNL     1      -4.413   1.139  -0.673  1.00  0.00           N  
HETATM   42  C   UNL     1      -5.301   0.182  -1.347  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.499   0.930  -1.937  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.274   0.504  -0.184  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.449  -0.222  -1.044  1.00  0.00           C  
HETATM   46  C   UNL     1      -1.824  -0.029   1.659  1.00  0.00           C  
HETATM   47  C   UNL     1      -2.945   0.592   1.165  1.00  0.00           C  
HETATM   48  C   UNL     1      -0.986  -0.768   0.807  1.00  0.00           C  
HETATM   49  C   UNL     1      -1.338  -0.836  -0.550  1.00  0.00           C  
HETATM   50  S   UNL     1      -0.048  -1.828  -1.250  1.00  0.00           S  
HETATM   51  N   UNL     1       0.859  -2.116   0.125  1.00  0.00           N  
HETATM   52  C   UNL     1       0.250  -1.508   1.093  1.00  0.00           C  
HETATM   53  N   UNL     1       0.755  -1.555   2.375  1.00  0.00           N  
HETATM   54  O   UNL     1      -0.625  -3.063  -1.651  1.00  0.00           O  
HETATM   55  O   UNL     1       0.721  -0.992  -2.104  1.00  0.00           O  
HETATM   56 CL   UNL     1      -9.604  -4.029  -1.295  1.00  0.00          Cl  
HETATM   57  N   UNL     1       5.105  -1.720  -1.542  1.00  0.00           N1+
HETATM   58  O   UNL     1       5.062  -2.894  -1.863  1.00  0.00           O  
HETATM   59  O   UNL     1       5.418  -0.876  -2.362  1.00  0.00           O1-
HETATM   60  H   UNL     1       6.846   3.667   0.329  1.00  0.00           H  
HETATM   61  H   UNL     1       6.218   2.819  -1.104  1.00  0.00           H  
HETATM   62  H   UNL     1       7.194   1.439   1.436  1.00  0.00           H  
HETATM   63  H   UNL     1       4.441   1.788   0.284  1.00  0.00           H  
HETATM   64  H   UNL     1       5.069   2.637   1.718  1.00  0.00           H  
HETATM   65  H   UNL     1       8.534   1.777  -1.286  1.00  0.00           H  
HETATM   66  H   UNL     1       9.040   2.569   0.226  1.00  0.00           H  
HETATM   67  H   UNL     1       3.299   3.001  -1.427  1.00  0.00           H  
HETATM   68  H   UNL     1       3.283   4.781  -1.398  1.00  0.00           H  
HETATM   69  H   UNL     1       4.800   3.909  -1.725  1.00  0.00           H  
HETATM   70  H   UNL     1       3.184   3.996   2.131  1.00  0.00           H  
HETATM   71  H   UNL     1       2.367   4.830   0.787  1.00  0.00           H  
HETATM   72  H   UNL     1       2.328   3.053   0.886  1.00  0.00           H  
HETATM   73  H   UNL     1      12.002  -1.281   0.201  1.00  0.00           H  
HETATM   74  H   UNL     1      14.202  -0.795  -0.789  1.00  0.00           H  
HETATM   75  H   UNL     1      14.566   1.309  -2.012  1.00  0.00           H  
HETATM   76  H   UNL     1      12.733   2.932  -2.253  1.00  0.00           H  
HETATM   77  H   UNL     1      10.528   2.457  -1.268  1.00  0.00           H  
HETATM   78  H   UNL     1       6.829  -0.001  -1.079  1.00  0.00           H  
HETATM   79  H   UNL     1       3.918  -0.276   3.449  1.00  0.00           H  
HETATM   80  H   UNL     1       3.199  -2.744   0.045  1.00  0.00           H  
HETATM   81  H   UNL     1       5.741   0.860   2.247  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.615   3.627   2.710  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.442   1.276   2.008  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.856   4.759  -0.339  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.327   5.364   1.537  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.344  -0.437   1.943  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.166  -2.784   1.227  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.317  -1.678  -2.732  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.511   0.671  -2.028  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.940   1.635  -2.054  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.121   3.209  -1.917  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.970   3.333  -0.908  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.867   3.096   0.611  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.449   2.557   0.878  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.474   1.126   1.142  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.756  -0.319  -2.147  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.653  -0.557  -0.627  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.174   0.219  -2.413  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.149   1.651  -2.677  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.689  -0.296  -2.094  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.584   0.051   2.709  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.580   1.156   1.833  1.00  0.00           H  
HETATM  103  H   UNL     1       0.293  -1.097   3.095  1.00  0.00           H  
CONECT    1    2    3   60   61                                       
CONECT    2    4   15    1   62                                       
CONECT    3    1    7   63   64                                       
CONECT    4    2    5   65   66                                       
CONECT    5    4    6                                                 
CONECT    6   14    5   10   10                                       
CONECT    7    3    9    8                                            
CONECT    8    7   67   68   69                                       
CONECT    9    7   70   71   72                                       
CONECT   10    6    6   11   73                                       
CONECT   11   12   12   10   74                                       
CONECT   12   13   11   11   75                                       
CONECT   13   14   14   12   76                                       
CONECT   14   13   13    6   77                                       
CONECT   15   20    2   78                                            
CONECT   16   17   17   21   79                                       
CONECT   17   22   16   16   18                                       
CONECT   18   17   19   19   80                                       
CONECT   19   18   18   20   57                                       
CONECT   20   21   21   19   15                                       
CONECT   21   16   20   20   81                                       
CONECT   22   24   24   53   23                                       
CONECT   22   23   17                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   30   26   26   82                                       
CONECT   26   25   25   27   83                                       
CONECT   27   28   28   26   31                                       
CONECT   28   29   37   27   27                                       
CONECT   29   30   30   28   84                                       
CONECT   30   29   29   25   85                                       
CONECT   31   27   32   32   36                                       
CONECT   32   31   31   33   86                                       
CONECT   33   32   34   34   87                                       
CONECT   34   33   33   35   56                                       
CONECT   35   36   36   34   88                                       
CONECT   36   31   35   35   89                                       
CONECT   37   38   28   90   91                                       
CONECT   38   43   37   39                                            
CONECT   39   38   40   92   93                                       
CONECT   40   41   39   94   95                                       
CONECT   41   42   44   40                                            
CONECT   42   43   41   96   97                                       
CONECT   43   42   38   98   99                                       
CONECT   44   45   41   47   47                                       
CONECT   45   49   49   44  100                                       
CONECT   46   48   48   47  101                                       
CONECT   47   44   44   46  102                                       
CONECT   48   49   52   46   46                                       
CONECT   49   50   45   45   48                                       
CONECT   50   54   54   51   49                                       
CONECT   50   55   55                                                 
CONECT   51   50   52   52                                            
CONECT   52   51   51   48   53                                       
CONECT   53   52   22  103                                            
CONECT   54   50   50                                                 
CONECT   55   50   50                                                 
CONECT   56   34                                                      
CONECT   57   19   59   58   58                                       
CONECT   58   57   57                                                 
CONECT   59   57                                                      
CONECT   60    1                                                      
CONECT   61    1                                                      
CONECT   62    2                                                      
CONECT   63    3                                                      
CONECT   64    3                                                      
CONECT   65    4                                                      
CONECT   66    4                                                      
CONECT   67    8                                                      
CONECT   68    8                                                      
CONECT   69    8                                                      
CONECT   70    9                                                      
CONECT   71    9                                                      
CONECT   72    9                                                      
CONECT   73   10                                                      
CONECT   74   11                                                      
CONECT   75   12                                                      
CONECT   76   13                                                      
CONECT   77   14                                                      
CONECT   78   15                                                      
CONECT   79   16                                                      
CONECT   80   18                                                      
CONECT   81   21                                                      
CONECT   82   25                                                      
CONECT   83   26                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   32                                                      
CONECT   87   33                                                      
CONECT   88   35                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   37                                                      
CONECT   92   39                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
CONECT   95   40                                                      
CONECT   96   42                                                      
CONECT   97   42                                                      
CONECT   98   43                                                      
CONECT   99   43                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   47                                                      
CONECT  103   53                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
