COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.797   4.390   0.502  1.00  0.00           C  
HETATM    2  C   UNL     1       5.035   3.953   1.804  1.00  0.00           C  
HETATM    3  C   UNL     1       4.619   4.718   2.874  1.00  0.00           C  
HETATM    4  C   UNL     1       3.963   5.922   2.654  1.00  0.00           C  
HETATM    5  C   UNL     1       3.724   6.359   1.358  1.00  0.00           C  
HETATM    6  C   UNL     1       4.139   5.599   0.285  1.00  0.00           C  
HETATM    7  O   UNL     1       3.553   6.673   3.710  1.00  0.00           O  
HETATM    8  C   UNL     1       2.885   7.900   3.412  1.00  0.00           C  
HETATM    9  C   UNL     1       5.249   3.572  -0.650  1.00  0.00           C  
HETATM   10  C   UNL     1       5.020   4.017  -1.954  1.00  0.00           C  
HETATM   11  C   UNL     1       5.432   3.266  -3.033  1.00  0.00           C  
HETATM   12  C   UNL     1       6.084   2.055  -2.830  1.00  0.00           C  
HETATM   13  C   UNL     1       6.320   1.606  -1.518  1.00  0.00           C  
HETATM   14  C   UNL     1       5.906   2.365  -0.431  1.00  0.00           C  
HETATM   15  C   UNL     1       7.025   0.318  -1.339  1.00  0.00           C  
HETATM   16  C   UNL     1       7.075  -0.314  -0.110  1.00  0.00           C  
HETATM   17  C   UNL     1       7.893  -1.450   0.066  1.00  0.00           C  
HETATM   18  N   UNL     1       7.621  -2.446   0.856  1.00  0.00           N1+
HETATM   19  C   UNL     1       8.505  -3.457   0.913  1.00  0.00           C  
HETATM   20  C   UNL     1       9.613  -3.263   0.080  1.00  0.00           C  
HETATM   21  S   UNL     1       9.421  -1.725  -0.758  1.00  0.00           S  
HETATM   22  C   UNL     1      10.624  -4.219   0.020  1.00  0.00           C  
HETATM   23  C   UNL     1      10.541  -5.365   0.781  1.00  0.00           C  
HETATM   24  C   UNL     1       9.449  -5.570   1.610  1.00  0.00           C  
HETATM   25  C   UNL     1       8.443  -4.640   1.683  1.00  0.00           C  
HETATM   26  C   UNL     1       6.395  -2.465   1.658  1.00  0.00           C  
HETATM   27  C   UNL     1       5.292  -3.127   0.873  1.00  0.00           C  
HETATM   28  O   UNL     1       5.509  -3.542  -0.246  1.00  0.00           O  
HETATM   29  N   UNL     1       4.065  -3.258   1.414  1.00  0.00           N  
HETATM   30  C   UNL     1       2.993  -3.901   0.651  1.00  0.00           C  
HETATM   31  C   UNL     1       1.712  -3.921   1.488  1.00  0.00           C  
HETATM   32  O   UNL     1       1.267  -2.581   1.709  1.00  0.00           O  
HETATM   33  C   UNL     1       0.071  -2.487   2.485  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.311  -1.016   2.658  1.00  0.00           C  
HETATM   35  O   UNL     1      -0.641  -0.456   1.385  1.00  0.00           O  
HETATM   36  C   UNL     1      -1.013   0.922   1.435  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.344   1.412   0.023  1.00  0.00           C  
HETATM   38  O   UNL     1      -2.500   0.726  -0.461  1.00  0.00           O  
HETATM   39  C   UNL     1      -2.895   1.112  -1.779  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.136   0.317  -2.192  1.00  0.00           C  
HETATM   41  N   UNL     1      -5.260   0.682  -1.327  1.00  0.00           N  
HETATM   42  C   UNL     1      -6.464   0.105  -1.507  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.621   0.480  -0.618  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.862  -0.315  -1.031  1.00  0.00           C  
HETATM   45  C   UNL     1     -10.036   0.067  -0.128  1.00  0.00           C  
HETATM   46  C   UNL     1     -11.276  -0.728  -0.541  1.00  0.00           C  
HETATM   47  C   UNL     1     -12.451  -0.346   0.362  1.00  0.00           C  
HETATM   48  C   UNL     1     -13.689  -1.103  -0.025  1.00  0.00           C  
HETATM   49  C   UNL     1     -14.919  -0.251   0.422  1.00  0.00           C  
HETATM   50  C   UNL     1     -14.729   1.078  -0.296  1.00  0.00           C  
HETATM   51  S   UNL     1     -12.950   1.408   0.083  1.00  0.00           S  
HETATM   52  N   UNL     1     -15.975  -1.177   0.081  1.00  0.00           N  
HETATM   53  C   UNL     1     -15.450  -2.421   0.291  1.00  0.00           C  
HETATM   54  N   UNL     1     -14.089  -2.403   0.427  1.00  0.00           N  
HETATM   55  O   UNL     1     -16.120  -3.434   0.351  1.00  0.00           O  
HETATM   56  O   UNL     1      -6.617  -0.718  -2.386  1.00  0.00           O  
HETATM   57  C   UNL     1       7.671  -0.259  -2.527  1.00  0.00           C  
HETATM   58  C   UNL     1       7.383   0.252  -3.739  1.00  0.00           C  
HETATM   59  N   UNL     1       6.502   1.284  -3.898  1.00  0.00           N  
HETATM   60  C   UNL     1       5.987   1.581  -5.237  1.00  0.00           C  
HETATM   61  H   UNL     1       5.544   3.016   1.976  1.00  0.00           H  
HETATM   62  H   UNL     1       4.803   4.380   3.883  1.00  0.00           H  
HETATM   63  H   UNL     1       3.214   7.296   1.191  1.00  0.00           H  
HETATM   64  H   UNL     1       3.953   5.940  -0.723  1.00  0.00           H  
HETATM   65  H   UNL     1       3.548   8.544   2.834  1.00  0.00           H  
HETATM   66  H   UNL     1       1.985   7.693   2.833  1.00  0.00           H  
HETATM   67  H   UNL     1       2.612   8.400   4.341  1.00  0.00           H  
HETATM   68  H   UNL     1       4.515   4.957  -2.118  1.00  0.00           H  
HETATM   69  H   UNL     1       5.249   3.619  -4.037  1.00  0.00           H  
HETATM   70  H   UNL     1       6.089   2.019   0.576  1.00  0.00           H  
HETATM   71  H   UNL     1       6.489   0.062   0.715  1.00  0.00           H  
HETATM   72  H   UNL     1      11.475  -4.061  -0.625  1.00  0.00           H  
HETATM   73  H   UNL     1      11.328  -6.104   0.730  1.00  0.00           H  
HETATM   74  H   UNL     1       9.389  -6.470   2.204  1.00  0.00           H  
HETATM   75  H   UNL     1       7.598  -4.813   2.334  1.00  0.00           H  
HETATM   76  H   UNL     1       6.571  -3.022   2.578  1.00  0.00           H  
HETATM   77  H   UNL     1       6.104  -1.443   1.901  1.00  0.00           H  
HETATM   78  H   UNL     1       3.891  -2.926   2.309  1.00  0.00           H  
HETATM   79  H   UNL     1       2.816  -3.344  -0.269  1.00  0.00           H  
HETATM   80  H   UNL     1       3.283  -4.923   0.407  1.00  0.00           H  
HETATM   81  H   UNL     1       0.939  -4.478   0.957  1.00  0.00           H  
HETATM   82  H   UNL     1       1.912  -4.401   2.446  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.736  -3.014   1.975  1.00  0.00           H  
HETATM   84  H   UNL     1       0.236  -2.937   3.464  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.171  -0.939   3.323  1.00  0.00           H  
HETATM   86  H   UNL     1       0.530  -0.470   3.087  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.888   1.039   2.074  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.188   1.508   1.839  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.542   2.484   0.048  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.500   1.214  -0.637  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.125   2.177  -1.791  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.083   0.907  -2.477  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.385   0.546  -3.228  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.933  -0.749  -2.094  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.138   1.340  -0.625  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.372   0.251   0.419  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.824   1.547  -0.716  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.111  -0.086  -2.067  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.659  -1.381  -0.933  1.00  0.00           H  
HETATM  100  H   UNL     1      -9.787  -0.162   0.909  1.00  0.00           H  
HETATM  101  H   UNL     1     -10.238   1.133  -0.226  1.00  0.00           H  
HETATM  102  H   UNL     1     -11.526  -0.499  -1.577  1.00  0.00           H  
HETATM  103  H   UNL     1     -11.074  -1.794  -0.443  1.00  0.00           H  
HETATM  104  H   UNL     1     -12.202  -0.516   1.410  1.00  0.00           H  
HETATM  105  H   UNL     1     -13.734  -1.115  -1.114  1.00  0.00           H  
HETATM  106  H   UNL     1     -14.896  -0.100   1.501  1.00  0.00           H  
HETATM  107  H   UNL     1     -14.892   0.975  -1.368  1.00  0.00           H  
HETATM  108  H   UNL     1     -15.372   1.850   0.126  1.00  0.00           H  
HETATM  109  H   UNL     1     -16.868  -0.961  -0.231  1.00  0.00           H  
HETATM  110  H   UNL     1     -13.518  -3.114   0.757  1.00  0.00           H  
HETATM  111  H   UNL     1       8.366  -1.079  -2.430  1.00  0.00           H  
HETATM  112  H   UNL     1       7.862  -0.167  -4.611  1.00  0.00           H  
HETATM  113  H   UNL     1       6.644   2.300  -5.728  1.00  0.00           H  
HETATM  114  H   UNL     1       5.950   0.664  -5.825  1.00  0.00           H  
HETATM  115  H   UNL     1       4.985   2.002  -5.156  1.00  0.00           H  
CONECT    1    2    9    6    6                                       
CONECT    2    3    3    1   61                                       
CONECT    3    2    2    4   62                                       
CONECT    4    3    5    5    7                                       
CONECT    5    6    4    4   63                                       
CONECT    6    5    1    1   64                                       
CONECT    7    4    8                                                 
CONECT    8    7   65   66   67                                       
CONECT    9    1   10   10   14                                       
CONECT   10    9    9   11   68                                       
CONECT   11   10   12   12   69                                       
CONECT   12   11   11   13   59                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13    9   70                                       
CONECT   15   13   16   16   57                                       
CONECT   16   17   15   15   71                                       
CONECT   17   16   18   18   21                                       
CONECT   18   17   17   19   26                                       
CONECT   19   20   20   18   25                                       
CONECT   20   19   19   21   22                                       
CONECT   21   20   17                                                 
CONECT   22   20   23   23   72                                       
CONECT   23   22   22   24   73                                       
CONECT   24   23   25   25   74                                       
CONECT   25   24   24   19   75                                       
CONECT   26   18   27   76   77                                       
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   78                                            
CONECT   30   29   31   79   80                                       
CONECT   31   30   32   81   82                                       
CONECT   32   31   33                                                 
CONECT   33   32   34   83   84                                       
CONECT   34   33   35   85   86                                       
CONECT   35   34   36                                                 
CONECT   36   35   37   87   88                                       
CONECT   37   36   38   89   90                                       
CONECT   38   37   39                                                 
CONECT   39   38   40   91   92                                       
CONECT   40   39   41   93   94                                       
CONECT   41   40   42   95                                            
CONECT   42   41   43   56   56                                       
CONECT   43   44   42   96   97                                       
CONECT   44   43   45   98   99                                       
CONECT   45   44   46  100  101                                       
CONECT   46   45   47  102  103                                       
CONECT   47   46   48   51  104                                       
CONECT   48   47   49   54  105                                       
CONECT   49   48   50   52  106                                       
CONECT   50   51   49  107  108                                       
CONECT   51   50   47                                                 
CONECT   52   49   53  109                                            
CONECT   53   52   54   55   55                                       
CONECT   54   53   48  110                                            
CONECT   55   53   53                                                 
CONECT   56   42   42                                                 
CONECT   57   15   58   58  111                                       
CONECT   58   57   57   59  112                                       
CONECT   59   58   60   12                                            
CONECT   60   59  113  114  115                                       
CONECT   61    2                                                      
CONECT   62    3                                                      
CONECT   63    5                                                      
CONECT   64    6                                                      
CONECT   65    8                                                      
CONECT   66    8                                                      
CONECT   67    8                                                      
CONECT   68   10                                                      
CONECT   69   11                                                      
CONECT   70   14                                                      
CONECT   71   16                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   37                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   43                                                      
CONECT   97   43                                                      
CONECT   98   44                                                      
CONECT   99   44                                                      
CONECT  100   45                                                      
CONECT  101   45                                                      
CONECT  102   46                                                      
CONECT  103   46                                                      
CONECT  104   47                                                      
CONECT  105   48                                                      
CONECT  106   49                                                      
CONECT  107   50                                                      
CONECT  108   50                                                      
CONECT  109   52                                                      
CONECT  110   54                                                      
CONECT  111   57                                                      
CONECT  112   58                                                      
CONECT  113   60                                                      
CONECT  114   60                                                      
CONECT  115   60                                                      
MASTER        0    0    0    0    0    0    0    0  115    0  115    0
END
