COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.237   2.812  -0.885  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.387   3.532  -0.399  1.00  0.00           O  
HETATM    3  O   UNL     1      -5.471   3.293  -1.124  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.717   4.680  -0.771  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.291   4.768   0.658  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.326   5.918   0.582  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.960   5.714  -0.817  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.779   5.282  -1.709  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.942   1.532  -1.189  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.597   1.010  -0.934  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.501   0.533   0.517  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.612  -0.482   0.795  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.139  -0.124   0.749  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.657   1.729   1.458  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.323  -0.146  -1.861  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.229  -0.875  -2.207  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.930  -2.801  -2.418  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.436  -2.784  -1.316  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.648  -1.507  -3.138  1.00  0.00           C  
HETATM   20  C   UNL     1       0.869  -1.360  -3.378  1.00  0.00           C  
HETATM   21  C   UNL     1       1.321  -0.457  -2.199  1.00  0.00           C  
HETATM   22  C   UNL     1       0.101   0.484  -2.043  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.071  -0.370  -2.307  1.00  0.00           N  
HETATM   24  O   UNL     1       2.497   0.281  -2.541  1.00  0.00           O  
HETATM   25  C   UNL     1       3.264   0.725  -1.515  1.00  0.00           C  
HETATM   26  C   UNL     1       2.909   0.481  -0.214  1.00  0.00           C  
HETATM   27  C   UNL     1       3.719   0.951   0.828  1.00  0.00           C  
HETATM   28  N   UNL     1       4.828   1.630   0.589  1.00  0.00           N  
HETATM   29  C   UNL     1       5.225   1.899  -0.659  1.00  0.00           C  
HETATM   30  C   UNL     1       4.455   1.449  -1.760  1.00  0.00           C  
HETATM   31  C   UNL     1       4.875   1.732  -3.067  1.00  0.00           C  
HETATM   32  C   UNL     1       6.019   2.439  -3.273  1.00  0.00           C  
HETATM   33  C   UNL     1       6.787   2.889  -2.195  1.00  0.00           C  
HETATM   34  C   UNL     1       6.405   2.622  -0.900  1.00  0.00           C  
HETATM   35  O   UNL     1       7.926   3.592  -2.428  1.00  0.00           O  
HETATM   36  C   UNL     1       8.272   3.832  -3.794  1.00  0.00           C  
HETATM   37  C   UNL     1       3.324   0.680   2.229  1.00  0.00           C  
HETATM   38  C   UNL     1       4.052   1.106   3.279  1.00  0.00           C  
HETATM   39  S   UNL     1       3.247   0.583   4.757  1.00  0.00           S  
HETATM   40  C   UNL     1       1.979  -0.176   3.801  1.00  0.00           C  
HETATM   41  N   UNL     1       2.220   0.003   2.541  1.00  0.00           N  
HETATM   42  N   UNL     1       0.884  -0.858   4.318  1.00  0.00           N  
HETATM   43  C   UNL     1       0.734  -0.977   5.653  1.00  0.00           C  
HETATM   44  O   UNL     1       1.553  -0.489   6.401  1.00  0.00           O  
HETATM   45  C   UNL     1      -0.453  -1.717   6.214  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.385  -1.706   7.742  1.00  0.00           C  
HETATM   47  C   UNL     1      -1.743  -1.034   5.756  1.00  0.00           C  
HETATM   48  N   UNL     1      -0.620  -3.977  -3.000  1.00  0.00           N  
HETATM   49  C   UNL     1      -0.999  -5.235  -2.353  1.00  0.00           C  
HETATM   50  C   UNL     1      -2.493  -5.536  -2.214  1.00  0.00           C  
HETATM   51  C   UNL     1      -1.648  -6.311  -3.228  1.00  0.00           C  
HETATM   52  C   UNL     1      -2.943  -6.270  -0.978  1.00  0.00           C  
HETATM   53  C   UNL     1      -3.804  -5.714  -0.163  1.00  0.00           C  
HETATM   54  C   UNL     1      -0.091  -5.696  -1.243  1.00  0.00           C  
HETATM   55  O   UNL     1      -0.334  -6.719  -0.648  1.00  0.00           O  
HETATM   56  O   UNL     1       0.989  -4.969  -0.914  1.00  0.00           O  
HETATM   57  H   UNL     1      -4.792   5.252  -0.839  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.780   3.833   0.931  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.503   5.008   1.372  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.077   5.814   1.365  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.832   6.887   0.644  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.718   4.932  -0.782  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.391   6.648  -1.180  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.369   6.146  -2.231  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.109   4.533  -2.429  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.620   0.957  -1.576  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.863   1.796  -1.107  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.501  -1.334   0.124  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.543  -0.822   1.828  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.582  -0.014   0.629  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.352   0.620   0.633  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.103  -0.539   1.756  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.993  -0.923   0.022  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.627   2.198   1.293  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.589   1.390   2.491  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.866   2.453   1.260  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.179  -1.489  -4.089  1.00  0.00           H  
HETATM   78  H   UNL     1       1.363  -2.330  -3.331  1.00  0.00           H  
HETATM   79  H   UNL     1       1.064  -0.873  -4.333  1.00  0.00           H  
HETATM   80  H   UNL     1       1.480  -1.045  -1.295  1.00  0.00           H  
HETATM   81  H   UNL     1       0.058   0.885  -1.030  1.00  0.00           H  
HETATM   82  H   UNL     1       0.151   1.295  -2.770  1.00  0.00           H  
HETATM   83  H   UNL     1       2.008  -0.072   0.007  1.00  0.00           H  
HETATM   84  H   UNL     1       4.291   1.391  -3.909  1.00  0.00           H  
HETATM   85  H   UNL     1       6.339   2.655  -4.282  1.00  0.00           H  
HETATM   86  H   UNL     1       7.005   2.974  -0.073  1.00  0.00           H  
HETATM   87  H   UNL     1       8.406   2.879  -4.307  1.00  0.00           H  
HETATM   88  H   UNL     1       7.475   4.397  -4.277  1.00  0.00           H  
HETATM   89  H   UNL     1       9.200   4.402  -3.838  1.00  0.00           H  
HETATM   90  H   UNL     1       4.971   1.670   3.224  1.00  0.00           H  
HETATM   91  H   UNL     1       0.229  -1.249   3.720  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.441  -2.747   5.857  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.397  -0.676   8.099  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.243  -2.241   8.148  1.00  0.00           H  
HETATM   95  H   UNL     1       0.534  -2.192   8.069  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.755  -0.004   6.112  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.792  -1.042   4.667  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.602  -1.569   6.162  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.146  -3.989  -3.846  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.194  -4.797  -2.603  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.792  -6.082  -4.283  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.417  -7.351  -3.000  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.555  -7.255  -0.763  1.00  0.00           H  
HETATM  104  H   UNL     1      -4.192  -4.729  -0.377  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.127  -6.240   0.724  1.00  0.00           H  
HETATM  106  H   UNL     1       1.542  -5.304  -0.195  1.00  0.00           H  
CONECT    1    2    2    3    9                                       
CONECT    2    1    1                                                 
CONECT    3    4    1                                                 
CONECT    4    5    8    3   57                                       
CONECT    5    6    4   58   59                                       
CONECT    6    7    5   60   61                                       
CONECT    7    6    8   62   63                                       
CONECT    8    7    4   64   65                                       
CONECT    9    1   10   66                                            
CONECT   10   15    9   11   67                                       
CONECT   11   10   12   13   14                                       
CONECT   12   11   68   69   70                                       
CONECT   13   11   71   72   73                                       
CONECT   14   11   74   75   76                                       
CONECT   15   23   16   16   10                                       
CONECT   16   15   15                                                 
CONECT   17   48   19   18   18                                       
CONECT   18   17   17                                                 
CONECT   19   20   17   23   77                                       
CONECT   20   21   19   78   79                                       
CONECT   21   24   20   22   80                                       
CONECT   22   21   23   81   82                                       
CONECT   23   19   22   15                                            
CONECT   24   25   21                                                 
CONECT   25   30   30   26   24                                       
CONECT   26   27   27   25   83                                       
CONECT   27   28   37   26   26                                       
CONECT   28   29   29   27                                            
CONECT   29   34   28   28   30                                       
CONECT   30   29   31   25   25                                       
CONECT   31   32   32   30   84                                       
CONECT   32   33   31   31   85                                       
CONECT   33   35   34   34   32                                       
CONECT   34   33   33   29   86                                       
CONECT   35   36   33                                                 
CONECT   36   35   87   88   89                                       
CONECT   37   38   38   27   41                                       
CONECT   38   39   37   37   90                                       
CONECT   39   38   40                                                 
CONECT   40   39   42   41   41                                       
CONECT   41   37   40   40                                            
CONECT   42   40   43   91                                            
CONECT   43   44   44   42   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   47   46   92                                       
CONECT   46   45   93   94   95                                       
CONECT   47   45   96   97   98                                       
CONECT   48   49   17   99                                            
CONECT   49   48   51   54   50                                       
CONECT   50   51   49   52  100                                       
CONECT   51   49   50  101  102                                       
CONECT   52   50   53   53  103                                       
CONECT   53   52   52  104  105                                       
CONECT   54   55   55   49   56                                       
CONECT   55   54   54                                                 
CONECT   56   54  106                                                 
CONECT   57    4                                                      
CONECT   58    5                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    6                                                      
CONECT   62    7                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    8                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   12                                                      
CONECT   69   12                                                      
CONECT   70   12                                                      
CONECT   71   13                                                      
CONECT   72   13                                                      
CONECT   73   13                                                      
CONECT   74   14                                                      
CONECT   75   14                                                      
CONECT   76   14                                                      
CONECT   77   19                                                      
CONECT   78   20                                                      
CONECT   79   20                                                      
CONECT   80   21                                                      
CONECT   81   22                                                      
CONECT   82   22                                                      
CONECT   83   26                                                      
CONECT   84   31                                                      
CONECT   85   32                                                      
CONECT   86   34                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   38                                                      
CONECT   91   42                                                      
CONECT   92   45                                                      
CONECT   93   46                                                      
CONECT   94   46                                                      
CONECT   95   46                                                      
CONECT   96   47                                                      
CONECT   97   47                                                      
CONECT   98   47                                                      
CONECT   99   48                                                      
CONECT  100   50                                                      
CONECT  101   51                                                      
CONECT  102   51                                                      
CONECT  103   52                                                      
CONECT  104   53                                                      
CONECT  105   53                                                      
CONECT  106   56                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
