COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.659  -1.620   2.520  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.553  -2.553   2.096  1.00  0.00           C  
HETATM    3  C   UNL     1       0.722  -2.381   2.605  1.00  0.00           C  
HETATM    4  C   UNL     1       1.747  -3.217   2.210  1.00  0.00           C  
HETATM    5  C   UNL     1       1.495  -4.236   1.304  1.00  0.00           C  
HETATM    6  C   UNL     1       0.210  -4.420   0.808  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.390  -0.262   1.369  1.00  0.00           C  
HETATM    8  N   UNL     1      -8.671  -4.758  -3.549  1.00  0.00           N  
HETATM    9  O   UNL     1       4.037  -3.827   1.945  1.00  0.00           O  
HETATM   10  C   UNL     1      -5.679  -0.763   0.700  1.00  0.00           C  
HETATM   11  N   UNL     1      -8.976  -5.901  -1.551  1.00  0.00           N  
HETATM   12  O   UNL     1       5.557   0.883  -2.563  1.00  0.00           O  
HETATM   13  C   UNL     1      -6.417  -1.838  -0.055  1.00  0.00           C  
HETATM   14  N   UNL     1       2.541  -5.058   0.866  1.00  0.00           N  
HETATM   15  O   UNL     1      -1.358   5.625   2.527  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.922  -2.933   0.622  1.00  0.00           C  
HETATM   17  N   UNL     1       6.351  -3.601   0.138  1.00  0.00           N  
HETATM   18  O   UNL     1       0.728   5.438   1.162  1.00  0.00           O  
HETATM   19  C   UNL     1      -7.598  -3.921  -0.064  1.00  0.00           C  
HETATM   20  N   UNL     1       7.257  -1.293  -1.263  1.00  0.00           N  
HETATM   21  O   UNL     1      -0.810   0.842  -0.505  1.00  0.00           O  
HETATM   22  C   UNL     1      -7.774  -3.812  -1.444  1.00  0.00           C  
HETATM   23  N   UNL     1       5.936   2.893  -1.623  1.00  0.00           N  
HETATM   24  C   UNL     1      -8.500  -4.868  -2.186  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.569   3.421   1.745  1.00  0.00           N  
HETATM   26  C   UNL     1      -7.264  -2.705  -2.121  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.487   5.294   0.084  1.00  0.00           N  
HETATM   28  C   UNL     1      -6.593  -1.722  -1.423  1.00  0.00           C  
HETATM   29  N   UNL     1      -1.142   0.628   1.703  1.00  0.00           N  
HETATM   30  C   UNL     1      -0.810  -3.575   1.202  1.00  0.00           C  
HETATM   31  C   UNL     1       3.812  -4.754   1.196  1.00  0.00           C  
HETATM   32  C   UNL     1       4.952  -5.563   0.638  1.00  0.00           C  
HETATM   33  C   UNL     1       6.275  -4.838   0.887  1.00  0.00           C  
HETATM   34  C   UNL     1       6.856  -2.454   0.860  1.00  0.00           C  
HETATM   35  C   UNL     1       7.834  -1.650   0.006  1.00  0.00           C  
HETATM   36  C   UNL     1       7.916  -0.284  -2.050  1.00  0.00           C  
HETATM   37  C   UNL     1       7.666   1.125  -1.518  1.00  0.00           C  
HETATM   38  C   UNL     1       6.308   1.609  -1.946  1.00  0.00           C  
HETATM   39  C   UNL     1       4.545   3.024  -1.386  1.00  0.00           C  
HETATM   40  C   UNL     1       3.652   2.206  -2.062  1.00  0.00           C  
HETATM   41  C   UNL     1       2.296   2.304  -1.799  1.00  0.00           C  
HETATM   42  C   UNL     1       1.837   3.209  -0.860  1.00  0.00           C  
HETATM   43  C   UNL     1       2.726   4.052  -0.216  1.00  0.00           C  
HETATM   44  C   UNL     1       4.081   3.962  -0.477  1.00  0.00           C  
HETATM   45  C   UNL     1       0.373   3.249  -0.507  1.00  0.00           C  
HETATM   46  C   UNL     1       0.162   2.538   0.833  1.00  0.00           C  
HETATM   47  C   UNL     1      -2.917   4.977   0.064  1.00  0.00           C  
HETATM   48  C   UNL     1      -3.658   6.016  -0.781  1.00  0.00           C  
HETATM   49  C   UNL     1      -5.152   5.685  -0.803  1.00  0.00           C  
HETATM   50  C   UNL     1      -5.357   4.295  -1.409  1.00  0.00           C  
HETATM   51  C   UNL     1      -4.616   3.256  -0.564  1.00  0.00           C  
HETATM   52  C   UNL     1      -3.123   3.587  -0.542  1.00  0.00           C  
HETATM   53  C   UNL     1      -0.630   1.275   0.614  1.00  0.00           C  
HETATM   54  C   UNL     1       6.651  -2.390  -1.972  1.00  0.00           C  
HETATM   55  C   UNL     1       6.850  -3.706  -1.216  1.00  0.00           C  
HETATM   56  C   UNL     1      -1.921  -0.597   1.412  1.00  0.00           C  
HETATM   57  N   UNL     1      -4.251  -1.088   0.741  1.00  0.00           N  
HETATM   58  O   UNL     1      -3.798   0.749   1.901  1.00  0.00           O  
HETATM   59  S   UNL     1      -0.606   5.053   1.465  1.00  0.00           S  
HETATM   60  H   UNL     1      -2.567  -2.194   2.707  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.365  -1.100   3.432  1.00  0.00           H  
HETATM   62  H   UNL     1       0.916  -1.589   3.314  1.00  0.00           H  
HETATM   63  H   UNL     1       2.743  -3.077   2.606  1.00  0.00           H  
HETATM   64  H   UNL     1       0.008  -5.224   0.116  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.147  -5.450  -4.035  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.317  -3.989  -4.022  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.820   0.195   0.199  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.067  -0.702   1.717  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.854  -5.978  -0.592  1.00  0.00           H  
HETATM   70  H   UNL     1       2.351  -5.843   0.328  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.785  -3.016   1.690  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.991  -4.776   0.465  1.00  0.00           H  
HETATM   73  H   UNL     1       6.560   3.632  -1.563  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.032   3.050   2.512  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.396  -2.616  -3.189  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.057   5.646  -0.711  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.197  -0.864  -1.946  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.003   0.949   2.608  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.807  -3.712   0.811  1.00  0.00           H  
HETATM   80  H   UNL     1       4.977  -6.538   1.124  1.00  0.00           H  
HETATM   81  H   UNL     1       4.810  -5.697  -0.435  1.00  0.00           H  
HETATM   82  H   UNL     1       7.099  -5.486   0.589  1.00  0.00           H  
HETATM   83  H   UNL     1       6.365  -4.616   1.951  1.00  0.00           H  
HETATM   84  H   UNL     1       6.020  -1.815   1.143  1.00  0.00           H  
HETATM   85  H   UNL     1       7.366  -2.796   1.761  1.00  0.00           H  
HETATM   86  H   UNL     1       8.731  -2.246  -0.165  1.00  0.00           H  
HETATM   87  H   UNL     1       8.110  -0.741   0.540  1.00  0.00           H  
HETATM   88  H   UNL     1       8.989  -0.477  -2.045  1.00  0.00           H  
HETATM   89  H   UNL     1       7.552  -0.342  -3.076  1.00  0.00           H  
HETATM   90  H   UNL     1       7.718   1.114  -0.429  1.00  0.00           H  
HETATM   91  H   UNL     1       8.427   1.800  -1.909  1.00  0.00           H  
HETATM   92  H   UNL     1       4.013   1.495  -2.790  1.00  0.00           H  
HETATM   93  H   UNL     1       1.597   1.674  -2.329  1.00  0.00           H  
HETATM   94  H   UNL     1       2.361   4.781   0.492  1.00  0.00           H  
HETATM   95  H   UNL     1       4.775   4.619   0.026  1.00  0.00           H  
HETATM   96  H   UNL     1       0.046   4.286  -0.424  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.204   2.747  -1.284  1.00  0.00           H  
HETATM   98  H   UNL     1       1.130   2.289   1.267  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.308   4.991   1.081  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.512   7.006  -0.349  1.00  0.00           H  
HETATM  101  H   UNL     1      -3.268   6.002  -1.798  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.542   5.698   0.215  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.679   6.425  -1.404  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.421   4.059  -1.424  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.967   4.281  -2.426  1.00  0.00           H  
HETATM  106  H   UNL     1      -5.006   3.270   0.453  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.762   2.266  -0.996  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.733   3.573  -1.560  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.595   2.847   0.059  1.00  0.00           H  
HETATM  110  H   UNL     1       5.584  -2.199  -2.084  1.00  0.00           H  
HETATM  111  H   UNL     1       7.105  -2.473  -2.960  1.00  0.00           H  
HETATM  112  H   UNL     1       7.913  -3.947  -1.189  1.00  0.00           H  
HETATM  113  H   UNL     1       6.316  -4.502  -1.735  1.00  0.00           H  
HETATM  114  H   UNL     1      -1.613  -1.010   0.452  1.00  0.00           H  
HETATM  115  H   UNL     1      -3.925  -1.896   0.317  1.00  0.00           H  
CONECT    1   56    2   60   61                                       
CONECT    2    1    3    3   30                                       
CONECT    3    2    2    4   62                                       
CONECT    4    3    5    5   63                                       
CONECT    5    6    4    4   14                                       
CONECT    6   30   30    5   64                                       
CONECT    7   58   58   57   56                                       
CONECT    8   24   65   66                                            
CONECT    9   31   31                                                 
CONECT   10   13   57   67   68                                       
CONECT   11   24   24   69                                            
CONECT   12   38   38                                                 
CONECT   13   28   28   16   10                                       
CONECT   14    5   31   70                                            
CONECT   15   59   59                                                 
CONECT   16   19   19   13   71                                       
CONECT   17   55   33   34                                            
CONECT   18   59   59                                                 
CONECT   19   22   16   16   72                                       
CONECT   20   54   36   35                                            
CONECT   21   53   53                                                 
CONECT   22   24   26   26   19                                       
CONECT   23   39   38   73                                            
CONECT   24   11   11    8   22                                       
CONECT   25   59   46   74                                            
CONECT   26   22   22   28   75                                       
CONECT   27   47   59   76                                            
CONECT   28   26   13   13   77                                       
CONECT   29   53   56   78                                            
CONECT   30    2    6    6   79                                       
CONECT   31   14   32    9    9                                       
CONECT   32   31   33   80   81                                       
CONECT   33   32   17   82   83                                       
CONECT   34   35   17   84   85                                       
CONECT   35   20   34   86   87                                       
CONECT   36   37   20   88   89                                       
CONECT   37   38   36   90   91                                       
CONECT   38   12   12   23   37                                       
CONECT   39   40   40   44   23                                       
CONECT   40   41   39   39   92                                       
CONECT   41   42   42   40   93                                       
CONECT   42   45   41   41   43                                       
CONECT   43   42   44   44   94                                       
CONECT   44   43   43   39   95                                       
CONECT   45   46   42   96   97                                       
CONECT   46   25   45   53   98                                       
CONECT   47   52   27   48   99                                       
CONECT   48   47   49  100  101                                       
CONECT   49   50   48  102  103                                       
CONECT   50   51   49  104  105                                       
CONECT   51   52   50  106  107                                       
CONECT   52   51   47  108  109                                       
CONECT   53   46   21   21   29                                       
CONECT   54   55   20  110  111                                       
CONECT   55   54   17  112  113                                       
CONECT   56   29    7    1  114                                       
CONECT   57   10    7  115                                            
CONECT   58    7    7                                                 
CONECT   59   15   15   27   18                                       
CONECT   59   18   25                                                 
CONECT   60    1                                                      
CONECT   61    1                                                      
CONECT   62    3                                                      
CONECT   63    4                                                      
CONECT   64    6                                                      
CONECT   65    8                                                      
CONECT   66    8                                                      
CONECT   67   10                                                      
CONECT   68   10                                                      
CONECT   69   11                                                      
CONECT   70   14                                                      
CONECT   71   16                                                      
CONECT   72   19                                                      
CONECT   73   23                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   37                                                      
CONECT   92   40                                                      
CONECT   93   41                                                      
CONECT   94   43                                                      
CONECT   95   44                                                      
CONECT   96   45                                                      
CONECT   97   45                                                      
CONECT   98   46                                                      
CONECT   99   47                                                      
CONECT  100   48                                                      
CONECT  101   48                                                      
CONECT  102   49                                                      
CONECT  103   49                                                      
CONECT  104   50                                                      
CONECT  105   50                                                      
CONECT  106   51                                                      
CONECT  107   51                                                      
CONECT  108   52                                                      
CONECT  109   52                                                      
CONECT  110   54                                                      
CONECT  111   54                                                      
CONECT  112   55                                                      
CONECT  113   55                                                      
CONECT  114   56                                                      
CONECT  115   57                                                      
MASTER        0    0    0    0    0    0    0    0  115    0  115    0
END
