COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.595   2.082  -0.521  1.00  0.00           C  
HETATM    2  C   UNL     1       4.947   4.076   0.654  1.00  0.00           C  
HETATM    3  C   UNL     1       3.342  -1.821  -1.932  1.00  0.00           C  
HETATM    4  C   UNL     1       5.630  -2.867  -0.969  1.00  0.00           C  
HETATM    5  C   UNL     1       4.433  -2.102  -2.769  1.00  0.00           C  
HETATM    6  C   UNL     1       5.799  -3.381   1.758  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.932   0.177  -2.100  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.213  -1.165  -2.273  1.00  0.00           C  
HETATM    9  C   UNL     1       1.137  -1.025  -1.553  1.00  0.00           C  
HETATM   10  C   UNL     1       1.205   0.430  -1.069  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.303  -0.045  -1.517  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.683   0.161  -1.535  1.00  0.00           C  
HETATM   13  C   UNL     1       0.296   2.826   0.438  1.00  0.00           C  
HETATM   14  C   UNL     1       2.648   3.465   0.462  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.425   4.075   0.945  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.836   3.704   1.407  1.00  0.00           C  
HETATM   17  C   UNL     1       4.532  -2.580  -0.120  1.00  0.00           C  
HETATM   18  C   UNL     1       4.635  -2.846   1.255  1.00  0.00           C  
HETATM   19  C   UNL     1       6.878  -3.662   0.914  1.00  0.00           C  
HETATM   20  C   UNL     1       6.804  -3.413  -0.421  1.00  0.00           C  
HETATM   21  C   UNL     1       7.134  -4.194   3.548  1.00  0.00           C  
HETATM   22  C   UNL     1       4.334  -1.816  -4.246  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.645  -0.682  -0.291  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.950  -3.208   1.249  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.616  -2.588   2.478  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.355  -4.095   2.428  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.784  -3.310  -0.030  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.553   1.419  -1.527  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.304   1.730  -0.259  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.858   2.670   0.541  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.604   3.423   0.179  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.236   4.394   1.301  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.978   0.198  -2.344  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.791   4.862   1.111  1.00  0.00           C  
HETATM   35  C   UNL     1       4.799   5.154   1.730  1.00  0.00           C  
HETATM   36  C   UNL     1       5.505   2.746   1.188  1.00  0.00           C  
HETATM   37  C   UNL     1       6.906   3.305   0.891  1.00  0.00           C  
HETATM   38  C   UNL     1       6.239   4.200  -0.170  1.00  0.00           C  
HETATM   39  N   UNL     1      -0.143   0.993  -1.172  1.00  0.00           N  
HETATM   40  N   UNL     1      -3.404   0.254  -2.276  1.00  0.00           N  
HETATM   41  N   UNL     1       1.529   3.219  -0.249  1.00  0.00           N  
HETATM   42  N   UNL     1       3.412  -2.060  -0.638  1.00  0.00           N  
HETATM   43  N   UNL     1       5.538  -2.611  -2.280  1.00  0.00           N  
HETATM   44  N   UNL     1      -4.113  -1.920  -0.332  1.00  0.00           N  
HETATM   45  O   UNL     1      -2.431  -0.482  -0.393  1.00  0.00           O  
HETATM   46  O   UNL     1      -1.732   2.462  -0.703  1.00  0.00           O  
HETATM   47  O   UNL     1       3.752   3.922  -0.157  1.00  0.00           O  
HETATM   48  O   UNL     1       2.659   3.273   1.662  1.00  0.00           O  
HETATM   49  O   UNL     1       2.209  -1.294  -2.459  1.00  0.00           O  
HETATM   50  O   UNL     1       5.900  -3.639   3.087  1.00  0.00           O  
HETATM   51  O   UNL     1      -5.092  -0.248   0.750  1.00  0.00           O  
HETATM   52  O   UNL     1      -3.669  -2.084   2.055  1.00  0.00           O  
HETATM   53  O   UNL     1      -3.513  -4.084   0.607  1.00  0.00           O  
HETATM   54  S   UNL     1      -4.180  -2.894   1.006  1.00  0.00           S  
HETATM   55  H   UNL     1      -1.015   0.685  -3.060  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.799  -1.965  -1.820  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.054  -1.371  -3.331  1.00  0.00           H  
HETATM   58  H   UNL     1       1.182  -1.706  -0.703  1.00  0.00           H  
HETATM   59  H   UNL     1       1.540   0.460  -0.033  1.00  0.00           H  
HETATM   60  H   UNL     1       1.892   0.997  -1.697  1.00  0.00           H  
HETATM   61  H   UNL     1       0.541   2.181   1.281  1.00  0.00           H  
HETATM   62  H   UNL     1       0.131   4.501   1.781  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.488   4.809   0.141  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.170   2.813   0.875  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.827   3.505   2.478  1.00  0.00           H  
HETATM   66  H   UNL     1       3.806  -2.633   1.913  1.00  0.00           H  
HETATM   67  H   UNL     1       7.783  -4.081   1.328  1.00  0.00           H  
HETATM   68  H   UNL     1       7.646  -3.635  -1.060  1.00  0.00           H  
HETATM   69  H   UNL     1       7.312  -5.148   3.050  1.00  0.00           H  
HETATM   70  H   UNL     1       7.949  -3.508   3.320  1.00  0.00           H  
HETATM   71  H   UNL     1       7.082  -4.351   4.626  1.00  0.00           H  
HETATM   72  H   UNL     1       4.676  -0.800  -4.443  1.00  0.00           H  
HETATM   73  H   UNL     1       4.956  -2.522  -4.795  1.00  0.00           H  
HETATM   74  H   UNL     1       3.297  -1.919  -4.567  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.991  -1.991   3.142  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.648  -2.253   2.377  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.215  -4.751   2.293  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.558  -4.489   3.059  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.818  -3.044   0.188  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.384  -2.628  -0.780  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.744  -4.331  -0.410  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.185   2.287  -2.077  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.200   1.185  -0.009  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.385   2.900   1.454  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.788   2.717   0.029  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.771   3.981  -0.742  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.904   5.254   1.271  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.332   3.891   2.263  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.893   0.263  -3.428  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.820  -0.387  -1.973  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.584   5.687   1.794  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.649   5.197   0.084  1.00  0.00           H  
HETATM   93  H   UNL     1       4.003   4.873   2.418  1.00  0.00           H  
HETATM   94  H   UNL     1       5.736   5.250   2.278  1.00  0.00           H  
HETATM   95  H   UNL     1       4.555   6.106   1.259  1.00  0.00           H  
HETATM   96  H   UNL     1       5.314   2.586   2.249  1.00  0.00           H  
HETATM   97  H   UNL     1       5.239   1.884   0.575  1.00  0.00           H  
HETATM   98  H   UNL     1       7.338   3.862   1.723  1.00  0.00           H  
HETATM   99  H   UNL     1       7.592   2.569   0.472  1.00  0.00           H  
HETATM  100  H   UNL     1       6.175   3.736  -1.154  1.00  0.00           H  
HETATM  101  H   UNL     1       6.642   5.212  -0.203  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.351   0.504  -3.211  1.00  0.00           H  
HETATM  103  H   UNL     1       1.541   3.303  -1.215  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.692  -2.240  -1.144  1.00  0.00           H  
CONECT    1   46   46   13   39                                       
CONECT    2   38   36   47   35                                       
CONECT    3    5   49   42   42                                       
CONECT    4   43   20   20   17                                       
CONECT    5   22   43   43    3                                       
CONECT    6   19   19   18   50                                       
CONECT    7   11   39    8   55                                       
CONECT    8    7    9   56   57                                       
CONECT    9   49    8   10   58                                       
CONECT   10   39    9   59   60                                       
CONECT   11   40    7   45   45                                       
CONECT   12   33   28   40   23                                       
CONECT   13   41    1   15   61                                       
CONECT   14   47   41   48   48                                       
CONECT   15   13   16   62   63                                       
CONECT   16   15   34   64   65                                       
CONECT   17    4   42   18   18                                       
CONECT   18   17   17    6   66                                       
CONECT   19   20    6    6   67                                       
CONECT   20    4    4   19   68                                       
CONECT   21   50   69   70   71                                       
CONECT   22    5   72   73   74                                       
CONECT   23   12   51   51   44                                       
CONECT   24   54   25   26   27                                       
CONECT   25   24   26   75   76                                       
CONECT   26   25   24   77   78                                       
CONECT   27   24   79   80   81                                       
CONECT   28   33   12   29   82                                       
CONECT   29   28   30   30   83                                       
CONECT   30   29   29   31   84                                       
CONECT   31   30   32   85   86                                       
CONECT   32   31   34   87   88                                       
CONECT   33   28   12   89   90                                       
CONECT   34   32   16   91   92                                       
CONECT   35    2   93   94   95                                       
CONECT   36   37    2   96   97                                       
CONECT   37   38   36   98   99                                       
CONECT   38   37    2  100  101                                       
CONECT   39    1    7   10                                            
CONECT   40   12   11  102                                            
CONECT   41   14   13  103                                            
CONECT   42    3    3   17                                            
CONECT   43    5    5    4                                            
CONECT   44   23   54  104                                            
CONECT   45   11   11                                                 
CONECT   46    1    1                                                 
CONECT   47    2   14                                                 
CONECT   48   14   14                                                 
CONECT   49    3    9                                                 
CONECT   50    6   21                                                 
CONECT   51   23   23                                                 
CONECT   52   54   54                                                 
CONECT   53   54   54                                                 
CONECT   54   52   52   44   53                                       
CONECT   54   53   24                                                 
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   13                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   25                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   32                                                      
CONECT   89   33                                                      
CONECT   90   33                                                      
CONECT   91   34                                                      
CONECT   92   34                                                      
CONECT   93   35                                                      
CONECT   94   35                                                      
CONECT   95   35                                                      
CONECT   96   36                                                      
CONECT   97   36                                                      
CONECT   98   37                                                      
CONECT   99   37                                                      
CONECT  100   38                                                      
CONECT  101   38                                                      
CONECT  102   40                                                      
CONECT  103   41                                                      
CONECT  104   44                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
