COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.322  -0.432  -1.830  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.081  -0.473  -1.222  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.104   1.907  -0.703  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.091   4.270  -0.363  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.451   4.830  -0.817  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.504   6.496   0.494  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.881   5.939   2.714  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.123  -0.345  -2.335  1.00  0.00           C  
HETATM    9  C   UNL     1       7.006  -2.909   1.956  1.00  0.00           C  
HETATM   10  C   UNL     1       5.743  -3.437   1.762  1.00  0.00           C  
HETATM   11  C   UNL     1       5.007  -3.080   0.648  1.00  0.00           C  
HETATM   12  C   UNL     1       5.534  -2.193  -0.273  1.00  0.00           C  
HETATM   13  C   UNL     1       6.797  -1.665  -0.079  1.00  0.00           C  
HETATM   14  C   UNL     1       7.533  -2.023   1.035  1.00  0.00           C  
HETATM   15  C   UNL     1       4.261   0.940  -1.487  1.00  0.00           C  
HETATM   16  C   UNL     1       2.364  -0.560  -0.717  1.00  0.00           C  
HETATM   17  C   UNL     1       0.378   5.234   0.748  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.155   4.726   2.105  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.503  -0.509  -1.753  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.194   0.597  -1.295  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.460   0.450  -0.761  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.037  -0.810  -0.684  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.341  -1.918  -1.144  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.078  -1.764  -1.683  1.00  0.00           C  
HETATM   25  C   UNL     1       4.949   1.408  -0.204  1.00  0.00           C  
HETATM   26  C   UNL     1       5.657   2.739  -0.461  1.00  0.00           C  
HETATM   27  C   UNL     1       3.904   1.590   0.899  1.00  0.00           C  
HETATM   28  C   UNL     1       7.805  -3.294   3.174  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.812  -2.283  -0.111  1.00  0.00           C  
HETATM   30  C   UNL     1       7.598  -2.248   4.271  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.190  -2.251   0.499  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.771  -1.121   0.912  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.088  -3.181   1.196  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.067  -4.295   1.463  1.00  0.00           C  
HETATM   35  N   UNL     1       3.706  -0.401  -1.283  1.00  0.00           N  
HETATM   36  N   UNL     1      -0.237   0.636  -0.278  1.00  0.00           N  
HETATM   37  N   UNL     1      -8.923  -3.334   0.662  1.00  0.00           N  
HETATM   38  O   UNL     1       5.532  -1.309  -2.672  1.00  0.00           O  
HETATM   39  O   UNL     1       3.664  -2.786  -1.913  1.00  0.00           O  
HETATM   40  O   UNL     1       1.475  -1.513  -2.752  1.00  0.00           O  
HETATM   41  O   UNL     1       0.145   2.134  -1.871  1.00  0.00           O  
HETATM   42  O   UNL     1      -0.248   2.926   0.165  1.00  0.00           O  
HETATM   43  O   UNL     1      -1.751   5.957   0.019  1.00  0.00           O  
HETATM   44  O   UNL     1      -0.706   7.042   1.811  1.00  0.00           O  
HETATM   45  O   UNL     1      -6.281  -0.957  -0.158  1.00  0.00           O  
HETATM   46  O   UNL     1       9.191  -3.360   2.833  1.00  0.00           O  
HETATM   47  S   UNL     1       4.596  -1.736  -1.692  1.00  0.00           S  
HETATM   48  S   UNL     1     -10.361  -1.531   1.553  1.00  0.00           S  
HETATM   49  H   UNL     1       1.464   0.514  -2.353  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.223  -1.419  -0.699  1.00  0.00           H  
HETATM   51  H   UNL     1       0.617   4.272  -1.192  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.392   5.146  -1.859  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.222   4.068  -0.703  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.052   7.201  -0.205  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.942   5.718   2.827  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.447   6.183   3.684  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.039   0.637  -2.800  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.951  -1.118  -3.085  1.00  0.00           H  
HETATM   59  H   UNL     1       5.331  -4.130   2.482  1.00  0.00           H  
HETATM   60  H   UNL     1       4.021  -3.493   0.497  1.00  0.00           H  
HETATM   61  H   UNL     1       7.208  -0.973  -0.799  1.00  0.00           H  
HETATM   62  H   UNL     1       8.519  -1.611   1.185  1.00  0.00           H  
HETATM   63  H   UNL     1       3.457   1.631  -1.741  1.00  0.00           H  
HETATM   64  H   UNL     1       4.986   0.913  -2.300  1.00  0.00           H  
HETATM   65  H   UNL     1       2.192   0.213   0.032  1.00  0.00           H  
HETATM   66  H   UNL     1       2.280  -1.542  -0.252  1.00  0.00           H  
HETATM   67  H   UNL     1       1.450   5.431   0.731  1.00  0.00           H  
HETATM   68  H   UNL     1       0.670   4.415   2.746  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.853   3.902   1.955  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.745   1.577  -1.354  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.999   1.314  -0.402  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.788  -2.899  -1.086  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.538  -2.626  -2.045  1.00  0.00           H  
HETATM   74  H   UNL     1       5.681   0.662   0.109  1.00  0.00           H  
HETATM   75  H   UNL     1       4.926   3.485  -0.774  1.00  0.00           H  
HETATM   76  H   UNL     1       6.148   3.073   0.453  1.00  0.00           H  
HETATM   77  H   UNL     1       6.402   2.609  -1.246  1.00  0.00           H  
HETATM   78  H   UNL     1       3.495   0.619   1.176  1.00  0.00           H  
HETATM   79  H   UNL     1       4.371   2.050   1.770  1.00  0.00           H  
HETATM   80  H   UNL     1       3.102   2.233   0.536  1.00  0.00           H  
HETATM   81  H   UNL     1       7.473  -4.268   3.533  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.162  -2.914   0.495  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.872  -2.687  -1.122  1.00  0.00           H  
HETATM   84  H   UNL     1       6.541  -2.198   4.531  1.00  0.00           H  
HETATM   85  H   UNL     1       8.176  -2.526   5.152  1.00  0.00           H  
HETATM   86  H   UNL     1       7.930  -1.274   3.911  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.343  -0.131   0.863  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.894  -4.700   2.460  1.00  0.00           H  
HETATM   89  H   UNL     1     -12.084  -3.908   1.400  1.00  0.00           H  
HETATM   90  H   UNL     1     -10.932  -5.083   0.723  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.436   0.454   0.654  1.00  0.00           H  
HETATM   92  H   UNL     1       1.362  -2.388  -2.354  1.00  0.00           H  
HETATM   93  H   UNL     1       9.555  -2.526   2.504  1.00  0.00           H  
CONECT    1    2   16   40   49                                       
CONECT    2    1    8   36   50                                       
CONECT    3   36   41   41   42                                       
CONECT    4    5   17   42   51                                       
CONECT    5    4   43   52   53                                       
CONECT    6   17   43   44   54                                       
CONECT    7   18   44   55   56                                       
CONECT    8    2   19   57   58                                       
CONECT    9   10   10   14   28                                       
CONECT   10    9    9   11   59                                       
CONECT   11   10   12   12   60                                       
CONECT   12   11   11   13   47                                       
CONECT   13   12   14   14   61                                       
CONECT   14    9   13   13   62                                       
CONECT   15   25   35   63   64                                       
CONECT   16    1   35   65   66                                       
CONECT   17    4    6   18   67                                       
CONECT   18    7   17   68   69                                       
CONECT   19    8   20   20   24                                       
CONECT   20   19   19   21   70                                       
CONECT   21   20   22   22   71                                       
CONECT   22   21   21   23   45                                       
CONECT   23   22   24   24   72                                       
CONECT   24   19   23   23   73                                       
CONECT   25   15   26   27   74                                       
CONECT   26   25   75   76   77                                       
CONECT   27   25   78   79   80                                       
CONECT   28    9   30   46   81                                       
CONECT   29   31   45   82   83                                       
CONECT   30   28   84   85   86                                       
CONECT   31   29   32   32   37                                       
CONECT   32   31   31   48   87                                       
CONECT   33   34   37   37   48                                       
CONECT   34   33   88   89   90                                       
CONECT   35   15   16   47                                            
CONECT   36    2    3   91                                            
CONECT   37   31   33   33                                            
CONECT   38   47   47                                                 
CONECT   39   47   47                                                 
CONECT   40    1   92                                                 
CONECT   41    3    3                                                 
CONECT   42    3    4                                                 
CONECT   43    5    6                                                 
CONECT   44    6    7                                                 
CONECT   45   22   29                                                 
CONECT   46   28   93                                                 
CONECT   47   12   35   38   38                                       
CONECT   47   39   39                                                 
CONECT   48   32   33                                                 
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   30                                                      
CONECT   87   32                                                      
CONECT   88   34                                                      
CONECT   89   34                                                      
CONECT   90   34                                                      
CONECT   91   36                                                      
CONECT   92   40                                                      
CONECT   93   46                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
