COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.825  -2.623  -4.323  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.846  -1.126  -0.797  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.474   2.752  -0.056  1.00  0.00           C  
HETATM    4  C   UNL     1       2.900  -0.042  -0.263  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.344  -3.164  -2.219  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.213  -1.843  -2.070  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.576  -0.207   0.506  1.00  0.00           N  
HETATM    8  C   UNL     1      -5.037   0.470   1.688  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.821   2.078   0.211  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.419   1.451   0.080  1.00  0.00           C  
HETATM   11  C   UNL     1       0.509   0.387  -0.447  1.00  0.00           C  
HETATM   12  C   UNL     1      12.080  -1.578  -3.245  1.00  0.00           C  
HETATM   13  C   UNL     1      11.736  -2.694  -2.256  1.00  0.00           C  
HETATM   14  N   UNL     1      11.540  -2.120  -0.922  1.00  0.00           N  
HETATM   15  C   UNL     1      12.676  -1.992  -0.005  1.00  0.00           C  
HETATM   16  C   UNL     1      13.347  -0.632  -0.212  1.00  0.00           C  
HETATM   17  C   UNL     1      10.275  -1.696  -0.525  1.00  0.00           C  
HETATM   18  C   UNL     1      10.097  -1.148   0.737  1.00  0.00           C  
HETATM   19  C   UNL     1       9.197  -1.821  -1.402  1.00  0.00           C  
HETATM   20  C   UNL     1       7.951  -1.409  -1.028  1.00  0.00           C  
HETATM   21  C   UNL     1       7.753  -0.859   0.244  1.00  0.00           C  
HETATM   22  C   UNL     1       8.838  -0.726   1.132  1.00  0.00           C  
HETATM   23  O   UNL     1       8.642  -0.189   2.356  1.00  0.00           O  
HETATM   24  C   UNL     1       7.429   0.225   2.753  1.00  0.00           C  
HETATM   25  O   UNL     1       7.301   0.703   3.866  1.00  0.00           O  
HETATM   26  C   UNL     1       6.300   0.122   1.916  1.00  0.00           C  
HETATM   27  C   UNL     1       6.427  -0.409   0.672  1.00  0.00           C  
HETATM   28  C   UNL     1       5.237  -0.526  -0.245  1.00  0.00           C  
HETATM   29  O   UNL     1       4.057  -0.010   0.425  1.00  0.00           O  
HETATM   30  O   UNL     1       2.877  -0.489  -1.393  1.00  0.00           O  
HETATM   31  N   UNL     1       1.768   0.421   0.301  1.00  0.00           N  
HETATM   32  C   UNL     1      -0.145  -0.987  -0.282  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.395  -1.066  -1.161  1.00  0.00           C  
HETATM   34  C   UNL     1       0.844  -2.076  -0.702  1.00  0.00           C  
HETATM   35  O   UNL     1      -0.160   2.021   1.118  1.00  0.00           O  
HETATM   36  N   UNL     1      -1.536   1.770  -0.603  1.00  0.00           N  
HETATM   37  C   UNL     1      -2.664   3.891  -1.059  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.364   4.633  -1.229  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.069   5.707  -0.410  1.00  0.00           C  
HETATM   40  C   UNL     1       0.124   6.388  -0.566  1.00  0.00           C  
HETATM   41  C   UNL     1       1.023   5.995  -1.540  1.00  0.00           C  
HETATM   42  C   UNL     1       0.728   4.920  -2.359  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.463   4.237  -2.200  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.670   1.070   1.352  1.00  0.00           C  
HETATM   45  O   UNL     1      -2.778   0.028   0.953  1.00  0.00           O  
HETATM   46  C   UNL     1      -4.885  -0.537   2.829  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.246  -1.037   3.242  1.00  0.00           C  
HETATM   48  C   UNL     1      -6.785  -2.155   2.635  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.033  -2.613   3.014  1.00  0.00           C  
HETATM   50  C   UNL     1      -8.742  -1.953   4.000  1.00  0.00           C  
HETATM   51  C   UNL     1      -8.203  -0.834   4.607  1.00  0.00           C  
HETATM   52  C   UNL     1      -6.952  -0.380   4.232  1.00  0.00           C  
HETATM   53  C   UNL     1      -6.907  -0.367   0.370  1.00  0.00           C  
HETATM   54  O   UNL     1      -7.661   0.052   1.227  1.00  0.00           O  
HETATM   55  O   UNL     1      -7.403  -0.990  -0.716  1.00  0.00           O  
HETATM   56  S   UNL     1      -9.549  -1.086  -3.626  1.00  0.00           S  
HETATM   57  N   UNL     1      -9.673  -3.548  -3.436  1.00  0.00           N  
HETATM   58  H   UNL     1     -10.094  -2.794  -5.355  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.305  -0.137  -0.791  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.206  -1.698   0.059  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.078   3.153   0.877  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.194  -3.861  -1.408  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.975  -0.542  -0.178  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.718   1.265   1.993  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.557   2.833   0.488  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.153   1.560  -0.689  1.00  0.00           H  
HETATM   67  H   UNL     1       0.709   0.569  -1.503  1.00  0.00           H  
HETATM   68  H   UNL     1      12.995  -1.079  -2.926  1.00  0.00           H  
HETATM   69  H   UNL     1      12.225  -2.005  -4.237  1.00  0.00           H  
HETATM   70  H   UNL     1      11.264  -0.856  -3.276  1.00  0.00           H  
HETATM   71  H   UNL     1      10.821  -3.193  -2.574  1.00  0.00           H  
HETATM   72  H   UNL     1      12.552  -3.416  -2.224  1.00  0.00           H  
HETATM   73  H   UNL     1      12.324  -2.071   1.023  1.00  0.00           H  
HETATM   74  H   UNL     1      13.395  -2.786  -0.205  1.00  0.00           H  
HETATM   75  H   UNL     1      12.628   0.162  -0.012  1.00  0.00           H  
HETATM   76  H   UNL     1      14.192  -0.537   0.470  1.00  0.00           H  
HETATM   77  H   UNL     1      13.699  -0.553  -1.240  1.00  0.00           H  
HETATM   78  H   UNL     1      10.936  -1.052   1.409  1.00  0.00           H  
HETATM   79  H   UNL     1       9.349  -2.245  -2.384  1.00  0.00           H  
HETATM   80  H   UNL     1       7.121  -1.507  -1.711  1.00  0.00           H  
HETATM   81  H   UNL     1       5.336   0.464   2.263  1.00  0.00           H  
HETATM   82  H   UNL     1       5.420   0.049  -1.153  1.00  0.00           H  
HETATM   83  H   UNL     1       5.079  -1.573  -0.504  1.00  0.00           H  
HETATM   84  H   UNL     1       1.786   0.778   1.203  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.425  -1.133   0.761  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.099  -1.134  -2.208  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.975  -1.948  -0.889  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.001  -0.172  -1.012  1.00  0.00           H  
HETATM   89  H   UNL     1       1.734  -2.020  -0.076  1.00  0.00           H  
HETATM   90  H   UNL     1       0.378  -3.055  -0.584  1.00  0.00           H  
HETATM   91  H   UNL     1       1.124  -1.930  -1.745  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.719   1.349  -1.458  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.976   3.481  -2.020  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.428   4.576  -0.692  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.770   6.014   0.351  1.00  0.00           H  
HETATM   96  H   UNL     1       0.355   7.227   0.074  1.00  0.00           H  
HETATM   97  H   UNL     1       1.954   6.527  -1.662  1.00  0.00           H  
HETATM   98  H   UNL     1       1.429   4.613  -3.120  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.692   3.395  -2.837  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.269   1.574   2.232  1.00  0.00           H  
HETATM  101  H   UNL     1      -3.129  -0.546   0.258  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.277  -1.377   2.494  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.403  -0.054   3.679  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.232  -2.671   1.865  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.455  -3.487   2.539  1.00  0.00           H  
HETATM  106  H   UNL     1      -9.717  -2.310   4.296  1.00  0.00           H  
HETATM  107  H   UNL     1      -8.757  -0.318   5.377  1.00  0.00           H  
HETATM  108  H   UNL     1      -6.529   0.492   4.710  1.00  0.00           H  
CONECT    1   56   57   57   58                                       
CONECT    2   55    6   59   60                                       
CONECT    3   36   37    9   61                                       
CONECT    4   29   30   30   31                                       
CONECT    5    6    6   57   62                                       
CONECT    6    2    5    5   56                                       
CONECT    7    8   53   63                                            
CONECT    8   46   44    7   64                                       
CONECT    9    3   44   65   66                                       
CONECT   10   11   35   35   36                                       
CONECT   11   31   32   10   67                                       
CONECT   12   13   68   69   70                                       
CONECT   13   14   12   71   72                                       
CONECT   14   13   17   15                                            
CONECT   15   14   16   73   74                                       
CONECT   16   15   75   76   77                                       
CONECT   17   14   19   19   18                                       
CONECT   18   17   22   22   78                                       
CONECT   19   17   17   20   79                                       
CONECT   20   19   21   21   80                                       
CONECT   21   20   20   22   27                                       
CONECT   22   18   18   21   23                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   27   81                                       
CONECT   27   21   26   26   28                                       
CONECT   28   27   29   82   83                                       
CONECT   29   28    4                                                 
CONECT   30    4    4                                                 
CONECT   31    4   11   84                                            
CONECT   32   33   11   34   85                                       
CONECT   33   32   86   87   88                                       
CONECT   34   32   89   90   91                                       
CONECT   35   10   10                                                 
CONECT   36   10    3   92                                            
CONECT   37    3   38   93   94                                       
CONECT   38   39   37   43   43                                       
CONECT   39   40   40   38   95                                       
CONECT   40   39   39   41   96                                       
CONECT   41   40   42   42   97                                       
CONECT   42   41   41   43   98                                       
CONECT   43   38   38   42   99                                       
CONECT   44    9    8   45  100                                       
CONECT   45   44  101                                                 
CONECT   46    8   47  102  103                                       
CONECT   47   46   52   52   48                                       
CONECT   48   47   49   49  104                                       
CONECT   49   48   48   50  105                                       
CONECT   50   51   51   49  106                                       
CONECT   51   52   50   50  107                                       
CONECT   52   47   47   51  108                                       
CONECT   53    7   54   54   55                                       
CONECT   54   53   53                                                 
CONECT   55   53    2                                                 
CONECT   56    6    1                                                 
CONECT   57    5    1    1                                            
CONECT   58    1                                                      
CONECT   59    2                                                      
CONECT   60    2                                                      
CONECT   61    3                                                      
CONECT   62    5                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    9                                                      
CONECT   66    9                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   12                                                      
CONECT   70   12                                                      
CONECT   71   13                                                      
CONECT   72   13                                                      
CONECT   73   15                                                      
CONECT   74   15                                                      
CONECT   75   16                                                      
CONECT   76   16                                                      
CONECT   77   16                                                      
CONECT   78   18                                                      
CONECT   79   19                                                      
CONECT   80   20                                                      
CONECT   81   26                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   31                                                      
CONECT   85   32                                                      
CONECT   86   33                                                      
CONECT   87   33                                                      
CONECT   88   33                                                      
CONECT   89   34                                                      
CONECT   90   34                                                      
CONECT   91   34                                                      
CONECT   92   36                                                      
CONECT   93   37                                                      
CONECT   94   37                                                      
CONECT   95   39                                                      
CONECT   96   40                                                      
CONECT   97   41                                                      
CONECT   98   42                                                      
CONECT   99   43                                                      
CONECT  100   44                                                      
CONECT  101   45                                                      
CONECT  102   46                                                      
CONECT  103   46                                                      
CONECT  104   48                                                      
CONECT  105   49                                                      
CONECT  106   50                                                      
CONECT  107   51                                                      
CONECT  108   52                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
