COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK     1       1.352   5.513  -1.459  1.00  0.00           C  
HETATM    2  S   UNK     1       1.775   4.410  -0.082  1.00  0.00           S  
HETATM    3  C   UNK     1       2.275   6.884  -3.332  1.00  0.00           C  
HETATM    4  O   UNK     1       3.457   7.203  -4.068  1.00  0.00           O  
HETATM    5  N   UNK     1       3.499   6.666  -1.223  1.00  0.00           N  
HETATM    6  C   UNK     1       2.632   5.954  -2.171  1.00  0.00           C  
HETATM    7  C   UNK     1       0.156   4.001   0.626  1.00  0.00           C  
HETATM    8  C   UNK     1       0.343   3.061   1.819  1.00  0.00           C  
HETATM    9  O   UNK     1       1.000   1.844   1.377  1.00  0.00           O  
HETATM   10  C   UNK     1      -1.022   2.716   2.416  1.00  0.00           C  
HETATM   11  O   UNK     1      -1.880   2.172   1.379  1.00  0.00           O  
HETATM   12  C   UNK     1     -20.178  -5.061  -1.868  1.00  0.00           C  
HETATM   13  C   UNK     1     -19.216  -4.480  -0.830  1.00  0.00           C  
HETATM   14  C   UNK     1     -17.877  -4.161  -1.498  1.00  0.00           C  
HETATM   15  C   UNK     1     -16.915  -3.579  -0.460  1.00  0.00           C  
HETATM   16  C   UNK     1     -15.576  -3.260  -1.128  1.00  0.00           C  
HETATM   17  C   UNK     1     -14.614  -2.678  -0.091  1.00  0.00           C  
HETATM   18  C   UNK     1     -13.275  -2.359  -0.759  1.00  0.00           C  
HETATM   19  C   UNK     1     -12.313  -1.778   0.279  1.00  0.00           C  
HETATM   20  C   UNK     1     -10.974  -1.459  -0.389  1.00  0.00           C  
HETATM   21  C   UNK     1     -10.012  -0.877   0.648  1.00  0.00           C  
HETATM   22  C   UNK     1      -8.673  -0.558  -0.020  1.00  0.00           C  
HETATM   23  C   UNK     1      -7.710   0.023   1.018  1.00  0.00           C  
HETATM   24  C   UNK     1      -6.372   0.342   0.350  1.00  0.00           C  
HETATM   25  C   UNK     1      -5.410   0.924   1.387  1.00  0.00           C  
HETATM   26  C   UNK     1      -4.071   1.243   0.719  1.00  0.00           C  
HETATM   27  C   UNK     1      -3.123   1.816   1.741  1.00  0.00           C  
HETATM   28  O   UNK     1      -3.482   1.955   2.887  1.00  0.00           O  
HETATM   29  C   UNK     1      18.956  -6.438  -1.199  1.00  0.00           C  
HETATM   30  C   UNK     1      18.194  -5.190  -0.748  1.00  0.00           C  
HETATM   31  C   UNK     1      16.690  -5.433  -0.889  1.00  0.00           C  
HETATM   32  C   UNK     1      15.928  -4.185  -0.439  1.00  0.00           C  
HETATM   33  C   UNK     1      14.424  -4.428  -0.579  1.00  0.00           C  
HETATM   34  C   UNK     1      13.662  -3.180  -0.129  1.00  0.00           C  
HETATM   35  C   UNK     1      12.158  -3.423  -0.269  1.00  0.00           C  
HETATM   36  C   UNK     1      11.395  -2.175   0.181  1.00  0.00           C  
HETATM   37  C   UNK     1       9.891  -2.418   0.041  1.00  0.00           C  
HETATM   38  C   UNK     1       9.129  -1.169   0.491  1.00  0.00           C  
HETATM   39  C   UNK     1       7.625  -1.412   0.351  1.00  0.00           C  
HETATM   40  C   UNK     1       6.863  -0.164   0.801  1.00  0.00           C  
HETATM   41  C   UNK     1       5.359  -0.407   0.660  1.00  0.00           C  
HETATM   42  C   UNK     1       4.596   0.841   1.110  1.00  0.00           C  
HETATM   43  C   UNK     1       3.092   0.598   0.970  1.00  0.00           C  
HETATM   44  C   UNK     1       2.342   1.827   1.414  1.00  0.00           C  
HETATM   45  O   UNK     1       2.947   2.798   1.802  1.00  0.00           O  
HETATM   46  H   UNK     1     -21.132  -5.289  -1.392  1.00  0.00           H  
HETATM   47  H   UNK     1     -20.334  -4.335  -2.666  1.00  0.00           H  
HETATM   48  H   UNK     1     -19.753  -5.974  -2.285  1.00  0.00           H  
HETATM   49  H   UNK     1     -19.640  -3.567  -0.412  1.00  0.00           H  
HETATM   50  H   UNK     1     -19.060  -5.206  -0.032  1.00  0.00           H  
HETATM   51  H   UNK     1     -17.452  -5.074  -1.916  1.00  0.00           H  
HETATM   52  H   UNK     1     -18.033  -3.435  -2.296  1.00  0.00           H  
HETATM   53  H   UNK     1     -17.339  -2.666  -0.043  1.00  0.00           H  
HETATM   54  H   UNK     1     -16.759  -4.305   0.338  1.00  0.00           H  
HETATM   55  H   UNK     1     -15.151  -4.173  -1.546  1.00  0.00           H  
HETATM   56  H   UNK     1     -15.732  -2.534  -1.926  1.00  0.00           H  
HETATM   57  H   UNK     1     -15.038  -1.765   0.327  1.00  0.00           H  
HETATM   58  H   UNK     1     -14.458  -3.405   0.707  1.00  0.00           H  
HETATM   59  H   UNK     1     -12.850  -3.273  -1.176  1.00  0.00           H  
HETATM   60  H   UNK     1     -13.431  -1.633  -1.557  1.00  0.00           H  
HETATM   61  H   UNK     1     -12.737  -0.865   0.696  1.00  0.00           H  
HETATM   62  H   UNK     1     -12.157  -2.504   1.077  1.00  0.00           H  
HETATM   63  H   UNK     1     -10.549  -2.372  -0.807  1.00  0.00           H  
HETATM   64  H   UNK     1     -11.130  -0.733  -1.187  1.00  0.00           H  
HETATM   65  H   UNK     1     -10.436   0.036   1.066  1.00  0.00           H  
HETATM   66  H   UNK     1      -9.856  -1.603   1.446  1.00  0.00           H  
HETATM   67  H   UNK     1      -8.248  -1.471  -0.437  1.00  0.00           H  
HETATM   68  H   UNK     1      -8.829   0.168  -0.818  1.00  0.00           H  
HETATM   69  H   UNK     1      -8.135   0.936   1.435  1.00  0.00           H  
HETATM   70  H   UNK     1      -7.555  -0.703   1.816  1.00  0.00           H  
HETATM   71  H   UNK     1      -5.947  -0.571  -0.068  1.00  0.00           H  
HETATM   72  H   UNK     1      -6.528   1.068  -0.448  1.00  0.00           H  
HETATM   73  H   UNK     1      -5.834   1.837   1.805  1.00  0.00           H  
HETATM   74  H   UNK     1      -5.253   0.198   2.185  1.00  0.00           H  
HETATM   75  H   UNK     1      -3.646   0.330   0.302  1.00  0.00           H  
HETATM   76  H   UNK     1      -4.227   1.969  -0.079  1.00  0.00           H  
HETATM   77  H   UNK     1      -0.896   1.978   3.208  1.00  0.00           H  
HETATM   78  H   UNK     1      -1.477   3.617   2.828  1.00  0.00           H  
HETATM   79  H   UNK     1       0.957   3.551   2.575  1.00  0.00           H  
HETATM   80  H   UNK     1      -0.337   4.915   0.958  1.00  0.00           H  
HETATM   81  H   UNK     1      -0.458   3.511  -0.130  1.00  0.00           H  
HETATM   82  H   UNK     1       0.708   4.985  -2.162  1.00  0.00           H  
HETATM   83  H   UNK     1       0.829   6.389  -1.075  1.00  0.00           H  
HETATM   84  H   UNK     1       3.155   5.078  -2.555  1.00  0.00           H  
HETATM   85  H   UNK     1       4.379   6.911  -1.652  1.00  0.00           H  
HETATM   86  H   UNK     1       3.037   7.483  -0.852  1.00  0.00           H  
HETATM   87  H   UNK     1       1.832   7.800  -2.941  1.00  0.00           H  
HETATM   88  H   UNK     1       1.561   6.387  -3.989  1.00  0.00           H  
HETATM   89  H   UNK     1       3.306   7.791  -4.821  1.00  0.00           H  
HETATM   90  H   UNK     1       2.855   0.383  -0.072  1.00  0.00           H  
HETATM   91  H   UNK     1       2.802  -0.249   1.592  1.00  0.00           H  
HETATM   92  H   UNK     1       4.834   1.056   2.152  1.00  0.00           H  
HETATM   93  H   UNK     1       4.887   1.688   0.489  1.00  0.00           H  
HETATM   94  H   UNK     1       5.121  -0.622  -0.381  1.00  0.00           H  
HETATM   95  H   UNK     1       5.068  -1.254   1.282  1.00  0.00           H  
HETATM   96  H   UNK     1       7.101   0.051   1.842  1.00  0.00           H  
HETATM   97  H   UNK     1       7.154   0.683   0.179  1.00  0.00           H  
HETATM   98  H   UNK     1       7.387  -1.627  -0.691  1.00  0.00           H  
HETATM   99  H   UNK     1       7.334  -2.259   0.972  1.00  0.00           H  
HETATM  100  H   UNK     1       9.367  -0.955   1.533  1.00  0.00           H  
HETATM  101  H   UNK     1       9.420  -0.322  -0.131  1.00  0.00           H  
HETATM  102  H   UNK     1       9.653  -2.632  -1.001  1.00  0.00           H  
HETATM  103  H   UNK     1       9.601  -3.265   0.662  1.00  0.00           H  
HETATM  104  H   UNK     1      11.633  -1.960   1.223  1.00  0.00           H  
HETATM  105  H   UNK     1      11.686  -1.328  -0.440  1.00  0.00           H  
HETATM  106  H   UNK     1      11.920  -3.638  -1.311  1.00  0.00           H  
HETATM  107  H   UNK     1      11.867  -4.270   0.352  1.00  0.00           H  
HETATM  108  H   UNK     1      13.899  -2.965   0.913  1.00  0.00           H  
HETATM  109  H   UNK     1      13.952  -2.333  -0.750  1.00  0.00           H  
HETATM  110  H   UNK     1      14.186  -4.643  -1.621  1.00  0.00           H  
HETATM  111  H   UNK     1      14.133  -5.275   0.043  1.00  0.00           H  
HETATM  112  H   UNK     1      16.166  -3.970   0.603  1.00  0.00           H  
HETATM  113  H   UNK     1      16.219  -3.338  -1.060  1.00  0.00           H  
HETATM  114  H   UNK     1      16.452  -5.648  -1.930  1.00  0.00           H  
HETATM  115  H   UNK     1      16.399  -6.280  -0.267  1.00  0.00           H  
HETATM  116  H   UNK     1      18.432  -4.975   0.293  1.00  0.00           H  
HETATM  117  H   UNK     1      18.485  -4.343  -1.370  1.00  0.00           H  
HETATM  118  H   UNK     1      18.719  -6.653  -2.240  1.00  0.00           H  
HETATM  119  H   UNK     1      20.028  -6.265  -1.099  1.00  0.00           H  
HETATM  120  H   UNK     1      18.666  -7.285  -0.577  1.00  0.00           H  
CONECT    1    2    6   82   83                                       
CONECT    2    1    7                                                 
CONECT    3    6    4   87   88                                       
CONECT    4    3   89                                                 
CONECT    5    6   85   86                                            
CONECT    6    1    3    5   84                                       
CONECT    7    2    8   80   81                                       
CONECT    8    7   10    9   79                                       
CONECT    9    8   44                                                 
CONECT   10    8   11   77   78                                       
CONECT   11   10   27                                                 
CONECT   12   13   46   47   48                                       
CONECT   13   12   14   49   50                                       
CONECT   14   13   15   51   52                                       
CONECT   15   14   16   53   54                                       
CONECT   16   15   17   55   56                                       
CONECT   17   16   18   57   58                                       
CONECT   18   17   19   59   60                                       
CONECT   19   18   20   61   62                                       
CONECT   20   19   21   63   64                                       
CONECT   21   20   22   65   66                                       
CONECT   22   21   23   67   68                                       
CONECT   23   22   24   69   70                                       
CONECT   24   23   25   71   72                                       
CONECT   25   24   26   73   74                                       
CONECT   26   25   27   75   76                                       
CONECT   27   11   26   28   28                                       
CONECT   28   27   27                                                 
CONECT   29   30  118  119  120                                       
CONECT   30   29   31  116  117                                       
CONECT   31   30   32  114  115                                       
CONECT   32   31   33  112  113                                       
CONECT   33   32   34  110  111                                       
CONECT   34   33   35  108  109                                       
CONECT   35   34   36  106  107                                       
CONECT   36   35   37  104  105                                       
CONECT   37   36   38  102  103                                       
CONECT   38   37   39  100  101                                       
CONECT   39   38   40   98   99                                       
CONECT   40   39   41   96   97                                       
CONECT   41   40   42   94   95                                       
CONECT   42   41   43   92   93                                       
CONECT   43   42   44   90   91                                       
CONECT   44    9   43   45   45                                       
CONECT   45   44   44                                                 
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   10                                                      
CONECT   78   10                                                      
CONECT   79    8                                                      
CONECT   80    7                                                      
CONECT   81    7                                                      
CONECT   82    1                                                      
CONECT   83    1                                                      
CONECT   84    6                                                      
CONECT   85    5                                                      
CONECT   86    5                                                      
CONECT   87    3                                                      
CONECT   88    3                                                      
CONECT   89    4                                                      
CONECT   90   43                                                      
CONECT   91   43                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   41                                                      
CONECT   95   41                                                      
CONECT   96   40                                                      
CONECT   97   40                                                      
CONECT   98   39                                                      
CONECT   99   39                                                      
CONECT  100   38                                                      
CONECT  101   38                                                      
CONECT  102   37                                                      
CONECT  103   37                                                      
CONECT  104   36                                                      
CONECT  105   36                                                      
CONECT  106   35                                                      
CONECT  107   35                                                      
CONECT  108   34                                                      
CONECT  109   34                                                      
CONECT  110   33                                                      
CONECT  111   33                                                      
CONECT  112   32                                                      
CONECT  113   32                                                      
CONECT  114   31                                                      
CONECT  115   31                                                      
CONECT  116   30                                                      
CONECT  117   30                                                      
CONECT  118   29                                                      
CONECT  119   29                                                      
CONECT  120   29                                                      
MASTER        0    0    0    0    0    0    0    0  120    0  120    0
END
