COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.404  -3.120 -11.150  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.074  -2.310 -12.280  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.632  -2.536 -10.448  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.742  -2.537 -11.347  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.323  -1.100 -10.011  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.405  -0.594  -9.226  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.035  -1.106  -9.180  1.00  0.00           C  
HETATM    8  S   UNL     1       0.457   0.600  -8.812  1.00  0.00           S  
HETATM    9  C   UNL     1       1.071  -1.798  -9.978  1.00  0.00           C  
HETATM   10  O   UNL     1       0.700  -3.148 -10.248  1.00  0.00           O  
HETATM   11  C   UNL     1       2.369  -1.781  -9.168  1.00  0.00           C  
HETATM   12  O   UNL     1       3.404  -2.427  -9.912  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.759   1.010  -7.531  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.575   2.469  -7.106  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.629   2.818  -6.046  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.540   1.789  -4.912  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.651   0.382  -5.504  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.978   0.249  -6.254  1.00  0.00           C  
HETATM   19  O   UNL     1       0.732   2.646  -6.558  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.931   2.779  -6.633  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.288   1.928  -4.238  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.572   0.152  -6.407  1.00  0.00           O  
HETATM   23  O   UNL     1      -4.059   0.527  -5.362  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.491   2.865  -3.179  1.00  0.00           C  
HETATM   25  C   UNL     1       0.822   3.064  -2.419  1.00  0.00           C  
HETATM   26  O   UNL     1       1.813   3.587  -3.305  1.00  0.00           O  
HETATM   27  C   UNL     1       1.289   1.713  -1.863  1.00  0.00           C  
HETATM   28  O   UNL     1       2.432   1.907  -1.029  1.00  0.00           O  
HETATM   29  C   UNL     1       0.147   1.097  -1.047  1.00  0.00           C  
HETATM   30  S   UNL     1       0.601  -0.583  -0.539  1.00  0.00           S  
HETATM   31  C   UNL     1      -1.115   1.048  -1.911  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.492   2.369  -2.292  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.252   0.406  -1.113  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.431   0.359  -1.919  1.00  0.00           O  
HETATM   35  C   UNL     1       1.781  -0.204   0.785  1.00  0.00           C  
HETATM   36  C   UNL     1       2.373  -1.507   1.325  1.00  0.00           C  
HETATM   37  C   UNL     1       3.394  -1.177   2.422  1.00  0.00           C  
HETATM   38  C   UNL     1       2.716  -0.283   3.467  1.00  0.00           C  
HETATM   39  C   UNL     1       2.098   0.927   2.764  1.00  0.00           C  
HETATM   40  C   UNL     1       3.191   1.697   2.022  1.00  0.00           C  
HETATM   41  O   UNL     1       1.329  -2.317   1.870  1.00  0.00           O  
HETATM   42  O   UNL     1       4.508  -0.489   1.849  1.00  0.00           O  
HETATM   43  O   UNL     1       1.692  -1.022   4.136  1.00  0.00           O  
HETATM   44  O   UNL     1       1.109   0.492   1.832  1.00  0.00           O  
HETATM   45  O   UNL     1       4.205   2.096   2.946  1.00  0.00           O  
HETATM   46  C   UNL     1       2.302  -1.641   5.270  1.00  0.00           C  
HETATM   47  C   UNL     1       1.253  -2.458   6.028  1.00  0.00           C  
HETATM   48  O   UNL     1       0.737  -3.481   5.175  1.00  0.00           O  
HETATM   49  C   UNL     1       0.115  -1.529   6.466  1.00  0.00           C  
HETATM   50  O   UNL     1      -0.795  -2.248   7.300  1.00  0.00           O  
HETATM   51  C   UNL     1       0.715  -0.351   7.243  1.00  0.00           C  
HETATM   52  S   UNL     1      -0.584   0.859   7.607  1.00  0.00           S  
HETATM   53  C   UNL     1       1.804   0.305   6.393  1.00  0.00           C  
HETATM   54  O   UNL     1       2.842  -0.635   6.125  1.00  0.00           O  
HETATM   55  C   UNL     1       2.386   1.501   7.149  1.00  0.00           C  
HETATM   56  O   UNL     1       3.404   2.116   6.356  1.00  0.00           O  
HETATM   57  C   UNL     1      -1.455  -0.003   8.944  1.00  0.00           C  
HETATM   58  C   UNL     1      -2.673   0.818   9.370  1.00  0.00           C  
HETATM   59  C   UNL     1      -3.421   0.065  10.477  1.00  0.00           C  
HETATM   60  C   UNL     1      -2.432  -0.264  11.598  1.00  0.00           C  
HETATM   61  C   UNL     1      -1.231  -1.005  11.005  1.00  0.00           C  
HETATM   62  C   UNL     1      -1.713  -2.283  10.315  1.00  0.00           C  
HETATM   63  O   UNL     1      -2.244   2.090   9.860  1.00  0.00           O  
HETATM   64  O   UNL     1      -3.972  -1.141   9.947  1.00  0.00           O  
HETATM   65  O   UNL     1      -1.991   0.945  12.218  1.00  0.00           O  
HETATM   66  O   UNL     1      -0.573  -0.171  10.053  1.00  0.00           O  
HETATM   67  O   UNL     1      -2.416  -3.096  11.256  1.00  0.00           O  
HETATM   68  H   UNL     1      -0.625  -4.134 -11.484  1.00  0.00           H  
HETATM   69  H   UNL     1       0.699  -2.713 -12.697  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.872  -3.139  -9.572  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.897  -3.457 -11.600  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.186  -0.471 -10.891  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.193  -0.620  -9.786  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.205  -1.645  -8.248  1.00  0.00           H  
HETATM   75  H   UNL     1       1.224  -1.269 -10.919  1.00  0.00           H  
HETATM   76  H   UNL     1       2.657  -0.749  -8.965  1.00  0.00           H  
HETATM   77  H   UNL     1       2.216  -2.307  -8.226  1.00  0.00           H  
HETATM   78  H   UNL     1       4.202  -2.394  -9.368  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.764   0.873  -7.929  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.699   3.120  -7.971  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.435   3.816  -5.652  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.355   1.953  -4.207  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.613  -0.352  -4.700  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.999   0.956  -7.083  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.077  -0.765  -6.639  1.00  0.00           H  
HETATM   86  H   UNL     1       1.361   2.410  -7.254  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.935   3.430  -7.347  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.874   0.432  -5.873  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.816   3.818  -3.596  1.00  0.00           H  
HETATM   90  H   UNL     1       0.665   3.760  -1.595  1.00  0.00           H  
HETATM   91  H   UNL     1       1.476   4.431  -3.634  1.00  0.00           H  
HETATM   92  H   UNL     1       1.546   1.048  -2.688  1.00  0.00           H  
HETATM   93  H   UNL     1       3.118   2.305  -1.582  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.039   1.707  -0.163  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.919   0.455  -2.804  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.968  -0.605  -0.826  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.446   0.997  -0.218  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.122  -0.050  -1.380  1.00  0.00           H  
HETATM   99  H   UNL     1       2.581   0.420   0.389  1.00  0.00           H  
HETATM  100  H   UNL     1       2.868  -2.046   0.517  1.00  0.00           H  
HETATM  101  H   UNL     1       3.736  -2.098   2.893  1.00  0.00           H  
HETATM  102  H   UNL     1       3.455   0.054   4.193  1.00  0.00           H  
HETATM  103  H   UNL     1       1.635   1.579   3.505  1.00  0.00           H  
HETATM  104  H   UNL     1       3.630   1.057   1.255  1.00  0.00           H  
HETATM  105  H   UNL     1       2.759   2.581   1.553  1.00  0.00           H  
HETATM  106  H   UNL     1       0.709  -2.495   1.150  1.00  0.00           H  
HETATM  107  H   UNL     1       4.894  -1.083   1.190  1.00  0.00           H  
HETATM  108  H   UNL     1       4.873   2.576   2.439  1.00  0.00           H  
HETATM  109  H   UNL     1       3.103  -2.300   4.936  1.00  0.00           H  
HETATM  110  H   UNL     1       1.711  -2.912   6.907  1.00  0.00           H  
HETATM  111  H   UNL     1       1.486  -4.037   4.921  1.00  0.00           H  
HETATM  112  H   UNL     1      -0.410  -1.155   5.588  1.00  0.00           H  
HETATM  113  H   UNL     1      -1.137  -2.983   6.773  1.00  0.00           H  
HETATM  114  H   UNL     1       1.148  -0.713   8.176  1.00  0.00           H  
HETATM  115  H   UNL     1       1.373   0.647   5.452  1.00  0.00           H  
HETATM  116  H   UNL     1       1.596   2.224   7.350  1.00  0.00           H  
HETATM  117  H   UNL     1       2.816   1.161   8.091  1.00  0.00           H  
HETATM  118  H   UNL     1       3.744   2.863   6.868  1.00  0.00           H  
HETATM  119  H   UNL     1      -1.783  -0.981   8.591  1.00  0.00           H  
HETATM  120  H   UNL     1      -3.334   0.960   8.515  1.00  0.00           H  
HETATM  121  H   UNL     1      -4.222   0.692  10.868  1.00  0.00           H  
HETATM  122  H   UNL     1      -2.919  -0.897  12.340  1.00  0.00           H  
HETATM  123  H   UNL     1      -0.535  -1.264  11.802  1.00  0.00           H  
HETATM  124  H   UNL     1      -0.854  -2.833   9.929  1.00  0.00           H  
HETATM  125  H   UNL     1      -2.378  -2.023   9.492  1.00  0.00           H  
HETATM  126  H   UNL     1      -1.774   2.524   9.136  1.00  0.00           H  
HETATM  127  H   UNL     1      -4.577  -0.885   9.238  1.00  0.00           H  
HETATM  128  H   UNL     1      -2.778   1.380  12.573  1.00  0.00           H  
HETATM  129  H   UNL     1      -2.701  -3.889  10.782  1.00  0.00           H  
CONECT    1    2    3   10   68                                       
CONECT    2    1   69                                                 
CONECT    3    1    4    5   70                                       
CONECT    4    3   71                                                 
CONECT    5    3    6    7   72                                       
CONECT    6    5   73                                                 
CONECT    7    5    9    8   74                                       
CONECT    8    7   13                                                 
CONECT    9    7   10   11   75                                       
CONECT   10    1    9                                                 
CONECT   11    9   12   76   77                                       
CONECT   12   11   78                                                 
CONECT   13    8   14   22   79                                       
CONECT   14   13   19   15   80                                       
CONECT   15   14   20   16   81                                       
CONECT   16   15   21   17   82                                       
CONECT   17   16   22   18   83                                       
CONECT   18   17   23   84   85                                       
CONECT   19   14   86                                                 
CONECT   20   15   87                                                 
CONECT   21   16   24                                                 
CONECT   22   13   17                                                 
CONECT   23   18   88                                                 
CONECT   24   21   25   32   89                                       
CONECT   25   24   26   27   90                                       
CONECT   26   25   91                                                 
CONECT   27   25   28   29   92                                       
CONECT   28   27   93                                                 
CONECT   29   27   31   30   94                                       
CONECT   30   29   35                                                 
CONECT   31   29   32   33   95                                       
CONECT   32   24   31                                                 
CONECT   33   31   34   96   97                                       
CONECT   34   33   98                                                 
CONECT   35   30   36   44   99                                       
CONECT   36   35   41   37  100                                       
CONECT   37   36   42   38  101                                       
CONECT   38   37   43   39  102                                       
CONECT   39   38   44   40  103                                       
CONECT   40   39   45  104  105                                       
CONECT   41   36  106                                                 
CONECT   42   37  107                                                 
CONECT   43   38   46                                                 
CONECT   44   35   39                                                 
CONECT   45   40  108                                                 
CONECT   46   43   47   54  109                                       
CONECT   47   46   48   49  110                                       
CONECT   48   47  111                                                 
CONECT   49   47   50   51  112                                       
CONECT   50   49  113                                                 
CONECT   51   49   53   52  114                                       
CONECT   52   51   57                                                 
CONECT   53   51   54   55  115                                       
CONECT   54   46   53                                                 
CONECT   55   53   56  116  117                                       
CONECT   56   55  118                                                 
CONECT   57   52   58   66  119                                       
CONECT   58   57   63   59  120                                       
CONECT   59   58   64   60  121                                       
CONECT   60   59   65   61  122                                       
CONECT   61   60   66   62  123                                       
CONECT   62   61   67  124  125                                       
CONECT   63   58  126                                                 
CONECT   64   59  127                                                 
CONECT   65   60  128                                                 
CONECT   66   57   61                                                 
CONECT   67   62  129                                                 
CONECT   68    1                                                      
CONECT   69    2                                                      
CONECT   70    3                                                      
CONECT   71    4                                                      
CONECT   72    5                                                      
CONECT   73    6                                                      
CONECT   74    7                                                      
CONECT   75    9                                                      
CONECT   76   11                                                      
CONECT   77   11                                                      
CONECT   78   12                                                      
CONECT   79   13                                                      
CONECT   80   14                                                      
CONECT   81   15                                                      
CONECT   82   16                                                      
CONECT   83   17                                                      
CONECT   84   18                                                      
CONECT   85   18                                                      
CONECT   86   19                                                      
CONECT   87   20                                                      
CONECT   88   23                                                      
CONECT   89   24                                                      
CONECT   90   25                                                      
CONECT   91   26                                                      
CONECT   92   27                                                      
CONECT   93   28                                                      
CONECT   94   29                                                      
CONECT   95   31                                                      
CONECT   96   33                                                      
CONECT   97   33                                                      
CONECT   98   34                                                      
CONECT   99   35                                                      
CONECT  100   36                                                      
CONECT  101   37                                                      
CONECT  102   38                                                      
CONECT  103   39                                                      
CONECT  104   40                                                      
CONECT  105   40                                                      
CONECT  106   41                                                      
CONECT  107   42                                                      
CONECT  108   45                                                      
CONECT  109   46                                                      
CONECT  110   47                                                      
CONECT  111   48                                                      
CONECT  112   49                                                      
CONECT  113   50                                                      
CONECT  114   51                                                      
CONECT  115   53                                                      
CONECT  116   55                                                      
CONECT  117   55                                                      
CONECT  118   56                                                      
CONECT  119   57                                                      
CONECT  120   58                                                      
CONECT  121   59                                                      
CONECT  122   60                                                      
CONECT  123   61                                                      
CONECT  124   62                                                      
CONECT  125   62                                                      
CONECT  126   63                                                      
CONECT  127   64                                                      
CONECT  128   65                                                      
CONECT  129   67                                                      
MASTER        0    0    0    0    0    0    0    0  129    0  129    0
END
