COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.499   2.774  -0.176  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.564   1.679  -1.243  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.243  -5.547   0.798  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.115   6.708   2.324  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.049   7.350   3.407  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.239   5.674   1.846  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.859   5.763   1.598  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.649   4.214   0.303  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.097   4.231   0.912  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.889   5.129  -0.063  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.833   4.149  -0.795  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.853  -5.800   2.255  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.902  -4.698   2.727  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.109  -5.797   3.128  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.156  -7.157   2.369  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.000  -7.211   1.404  1.00  0.00           C  
HETATM   17  C   UNL     1       0.163  -6.411   0.616  1.00  0.00           C  
HETATM   18  C   UNL     1       1.260  -5.452   1.081  1.00  0.00           C  
HETATM   19  C   UNL     1       2.373  -5.431   0.065  1.00  0.00           C  
HETATM   20  C   UNL     1       4.536  -4.631  -0.723  1.00  0.00           C  
HETATM   21  C   UNL     1       5.633  -3.672  -0.258  1.00  0.00           C  
HETATM   22  C   UNL     1       8.032  -2.530  -0.734  1.00  0.00           C  
HETATM   23  C   UNL     1       9.335  -2.170  -1.400  1.00  0.00           C  
HETATM   24  C   UNL     1      10.089  -1.160  -0.533  1.00  0.00           C  
HETATM   25  C   UNL     1      11.412  -0.795  -1.209  1.00  0.00           C  
HETATM   26  C   UNL     1      12.167   0.214  -0.342  1.00  0.00           C  
HETATM   27  C   UNL     1      13.489   0.580  -1.018  1.00  0.00           C  
HETATM   28  C   UNL     1      14.244   1.589  -0.150  1.00  0.00           C  
HETATM   29  C   UNL     1      15.567   1.955  -0.827  1.00  0.00           C  
HETATM   30  C   UNL     1      16.321   2.964   0.041  1.00  0.00           C  
HETATM   31  C   UNL     1      17.644   3.329  -0.636  1.00  0.00           C  
HETATM   32  C   UNL     1      18.399   4.339   0.232  1.00  0.00           C  
HETATM   33  C   UNL     1      19.722   4.705  -0.444  1.00  0.00           C  
HETATM   34  C   UNL     1      20.476   5.714   0.423  1.00  0.00           C  
HETATM   35  N   UNL     1       0.247   6.846   2.119  1.00  0.00           N  
HETATM   36  N   UNL     1      -1.750   7.471   3.208  1.00  0.00           N  
HETATM   37  N   UNL     1      -3.787   6.479   2.751  1.00  0.00           N  
HETATM   38  N   UNL     1      -1.564   4.846   0.646  1.00  0.00           N  
HETATM   39  N   UNL     1      -3.710   4.688   1.015  1.00  0.00           N  
HETATM   40  N   UNL     1      -0.919  -6.431   1.604  1.00  0.00           N  
HETATM   41  N   UNL     1       3.454  -4.651   0.265  1.00  0.00           N  
HETATM   42  O   UNL     1      -6.643   6.107   0.656  1.00  0.00           O  
HETATM   43  O   UNL     1      -8.198   4.491  -0.550  1.00  0.00           O  
HETATM   44  O   UNL     1     -10.658   5.244  -1.094  1.00  0.00           O  
HETATM   45  O   UNL     1      -8.740   5.805  -2.636  1.00  0.00           O  
HETATM   46  O   UNL     1      -9.493   3.398  -2.560  1.00  0.00           O  
HETATM   47  O   UNL     1      -6.368   0.404  -0.629  1.00  0.00           O  
HETATM   48  O   UNL     1      -5.994  -2.194  -0.472  1.00  0.00           O  
HETATM   49  O   UNL     1      -6.633  -4.622  -1.250  1.00  0.00           O  
HETATM   50  O   UNL     1      -4.894  -4.279   0.692  1.00  0.00           O  
HETATM   51  O   UNL     1      -4.085  -8.197   2.057  1.00  0.00           O  
HETATM   52  O   UNL     1       7.735  -2.028   0.330  1.00  0.00           O  
HETATM   53  O   UNL     1       2.296  -6.116  -0.933  1.00  0.00           O  
HETATM   54  O   UNL     1      -2.042  -7.955   0.448  1.00  0.00           O  
HETATM   55  O   UNL     1      -4.341  -3.661  -1.692  1.00  0.00           O  
HETATM   56  O   UNL     1      -7.838  -1.226  -2.076  1.00  0.00           O  
HETATM   57  O   UNL     1      -5.380  -0.901  -2.551  1.00  0.00           O  
HETATM   58  O   UNL     1      -5.152   2.912   0.326  1.00  0.00           O  
HETATM   59  P   UNL     1      -9.261   4.758  -1.730  1.00  0.00           P  
HETATM   60  P   UNL     1      -6.373  -0.978  -1.456  1.00  0.00           P  
HETATM   61  P   UNL     1      -5.441  -3.688  -0.702  1.00  0.00           P  
HETATM   62  S   UNL     1       6.969  -3.647  -1.479  1.00  0.00           S  
HETATM   63  H   UNL     1      -7.187   2.549   0.640  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.539   1.702  -1.729  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.784   1.849  -1.985  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.348  -5.549   0.176  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.921  -6.332   0.462  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.526   7.990   4.135  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.701   3.430  -0.438  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.570   4.229   1.895  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.215   5.611  -0.771  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.625   4.146  -1.865  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.433  -3.746   2.754  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.534  -4.937   3.724  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.061  -4.624   2.037  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.638  -4.852   3.000  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.760  -6.620   2.832  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.826  -5.916   4.174  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.788  -7.293   3.386  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.229  -6.076  -0.344  1.00  0.00           H  
HETATM   81  H   UNL     1       0.577  -7.413   0.511  1.00  0.00           H  
HETATM   82  H   UNL     1       0.846  -4.449   1.187  1.00  0.00           H  
HETATM   83  H   UNL     1       1.652  -5.786   2.042  1.00  0.00           H  
HETATM   84  H   UNL     1       4.144  -4.297  -1.684  1.00  0.00           H  
HETATM   85  H   UNL     1       4.950  -5.634  -0.829  1.00  0.00           H  
HETATM   86  H   UNL     1       5.219  -2.669  -0.153  1.00  0.00           H  
HETATM   87  H   UNL     1       6.025  -4.006   0.702  1.00  0.00           H  
HETATM   88  H   UNL     1       9.940  -3.068  -1.522  1.00  0.00           H  
HETATM   89  H   UNL     1       9.134  -1.731  -2.378  1.00  0.00           H  
HETATM   90  H   UNL     1       9.483  -0.262  -0.410  1.00  0.00           H  
HETATM   91  H   UNL     1      10.290  -1.599   0.445  1.00  0.00           H  
HETATM   92  H   UNL     1      12.018  -1.693  -1.331  1.00  0.00           H  
HETATM   93  H   UNL     1      11.212  -0.356  -2.186  1.00  0.00           H  
HETATM   94  H   UNL     1      11.561   1.112  -0.219  1.00  0.00           H  
HETATM   95  H   UNL     1      12.367  -0.224   0.636  1.00  0.00           H  
HETATM   96  H   UNL     1      14.095  -0.318  -1.140  1.00  0.00           H  
HETATM   97  H   UNL     1      13.289   1.019  -1.995  1.00  0.00           H  
HETATM   98  H   UNL     1      13.638   2.487  -0.028  1.00  0.00           H  
HETATM   99  H   UNL     1      14.444   1.151   0.827  1.00  0.00           H  
HETATM  100  H   UNL     1      16.172   1.057  -0.949  1.00  0.00           H  
HETATM  101  H   UNL     1      15.366   2.394  -1.804  1.00  0.00           H  
HETATM  102  H   UNL     1      15.716   3.862   0.163  1.00  0.00           H  
HETATM  103  H   UNL     1      16.522   2.526   1.018  1.00  0.00           H  
HETATM  104  H   UNL     1      18.250   2.431  -0.758  1.00  0.00           H  
HETATM  105  H   UNL     1      17.444   3.768  -1.613  1.00  0.00           H  
HETATM  106  H   UNL     1      17.793   5.237   0.354  1.00  0.00           H  
HETATM  107  H   UNL     1      18.599   3.900   1.209  1.00  0.00           H  
HETATM  108  H   UNL     1      20.327   3.806  -0.567  1.00  0.00           H  
HETATM  109  H   UNL     1      19.521   5.143  -1.422  1.00  0.00           H  
HETATM  110  H   UNL     1      20.677   5.275   1.400  1.00  0.00           H  
HETATM  111  H   UNL     1      21.419   5.974  -0.059  1.00  0.00           H  
HETATM  112  H   UNL     1      19.870   6.612   0.545  1.00  0.00           H  
HETATM  113  H   UNL     1       0.698   6.287   1.467  1.00  0.00           H  
HETATM  114  H   UNL     1       0.750   7.502   2.626  1.00  0.00           H  
HETATM  115  H   UNL     1      -0.857  -5.883   2.402  1.00  0.00           H  
HETATM  116  H   UNL     1       3.516  -4.103   1.063  1.00  0.00           H  
HETATM  117  H   UNL     1      -6.102   6.712   1.183  1.00  0.00           H  
HETATM  118  H   UNL     1     -11.347   5.423  -1.749  1.00  0.00           H  
HETATM  119  H   UNL     1      -9.835   2.666  -2.028  1.00  0.00           H  
HETATM  120  H   UNL     1      -7.389  -4.687  -0.651  1.00  0.00           H  
HETATM  121  H   UNL     1      -4.455  -8.139   1.165  1.00  0.00           H  
HETATM  122  H   UNL     1      -8.540  -1.287  -1.414  1.00  0.00           H  
CONECT    1   58    2   11   63                                       
CONECT    2   47    1   64   65                                       
CONECT    3   12   50   66   67                                       
CONECT    4   35    7    7   36                                       
CONECT    5   36   36   37   68                                       
CONECT    6    7   39   37   37                                       
CONECT    7   38    4    4    6                                       
CONECT    8   38   38   39   69                                       
CONECT    9   39   58   10   70                                       
CONECT   10    9   11   42   71                                       
CONECT   11    1   10   43   72                                       
CONECT   12   14   15   13    3                                       
CONECT   13   12   73   74   75                                       
CONECT   14   12   76   77   78                                       
CONECT   15   16   12   51   79                                       
CONECT   16   54   54   40   15                                       
CONECT   17   18   40   80   81                                       
CONECT   18   19   17   82   83                                       
CONECT   19   41   53   53   18                                       
CONECT   20   21   41   84   85                                       
CONECT   21   62   20   86   87                                       
CONECT   22   62   23   52   52                                       
CONECT   23   24   22   88   89                                       
CONECT   24   25   23   90   91                                       
CONECT   25   26   24   92   93                                       
CONECT   26   27   25   94   95                                       
CONECT   27   28   26   96   97                                       
CONECT   28   29   27   98   99                                       
CONECT   29   28   30  100  101                                       
CONECT   30   29   31  102  103                                       
CONECT   31   30   32  104  105                                       
CONECT   32   31   33  106  107                                       
CONECT   33   32   34  108  109                                       
CONECT   34   33  110  111  112                                       
CONECT   35    4  113  114                                            
CONECT   36    4    5    5                                            
CONECT   37    6    6    5                                            
CONECT   38    7    8    8                                            
CONECT   39    8    6    9                                            
CONECT   40   17   16  115                                            
CONECT   41   20   19  116                                            
CONECT   42   10  117                                                 
CONECT   43   11   59                                                 
CONECT   44   59  118                                                 
CONECT   45   59   59                                                 
CONECT   46   59  119                                                 
CONECT   47   60    2                                                 
CONECT   48   61   60                                                 
CONECT   49   61  120                                                 
CONECT   50    3   61                                                 
CONECT   51   15  121                                                 
CONECT   52   22   22                                                 
CONECT   53   19   19                                                 
CONECT   54   16   16                                                 
CONECT   55   61   61                                                 
CONECT   56   60  122                                                 
CONECT   57   60   60                                                 
CONECT   58    9    1                                                 
CONECT   59   43   45   45   44                                       
CONECT   59   46                                                      
CONECT   60   48   47   57   57                                       
CONECT   60   56                                                      
CONECT   61   50   55   55   48                                       
CONECT   61   49                                                      
CONECT   62   21   22                                                 
CONECT   63    1                                                      
CONECT   64    2                                                      
CONECT   65    2                                                      
CONECT   66    3                                                      
CONECT   67    3                                                      
CONECT   68    5                                                      
CONECT   69    8                                                      
CONECT   70    9                                                      
CONECT   71   10                                                      
CONECT   72   11                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   13                                                      
CONECT   76   14                                                      
CONECT   77   14                                                      
CONECT   78   14                                                      
CONECT   79   15                                                      
CONECT   80   17                                                      
CONECT   81   17                                                      
CONECT   82   18                                                      
CONECT   83   18                                                      
CONECT   84   20                                                      
CONECT   85   20                                                      
CONECT   86   21                                                      
CONECT   87   21                                                      
CONECT   88   23                                                      
CONECT   89   23                                                      
CONECT   90   24                                                      
CONECT   91   24                                                      
CONECT   92   25                                                      
CONECT   93   25                                                      
CONECT   94   26                                                      
CONECT   95   26                                                      
CONECT   96   27                                                      
CONECT   97   27                                                      
CONECT   98   28                                                      
CONECT   99   28                                                      
CONECT  100   29                                                      
CONECT  101   29                                                      
CONECT  102   30                                                      
CONECT  103   30                                                      
CONECT  104   31                                                      
CONECT  105   31                                                      
CONECT  106   32                                                      
CONECT  107   32                                                      
CONECT  108   33                                                      
CONECT  109   33                                                      
CONECT  110   34                                                      
CONECT  111   34                                                      
CONECT  112   34                                                      
CONECT  113   35                                                      
CONECT  114   35                                                      
CONECT  115   40                                                      
CONECT  116   41                                                      
CONECT  117   42                                                      
CONECT  118   44                                                      
CONECT  119   46                                                      
CONECT  120   49                                                      
CONECT  121   51                                                      
CONECT  122   56                                                      
MASTER        0    0    0    0    0    0    0    0  122    0  122    0
END
