COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.056  -1.609   0.584  1.00  0.00           C  
HETATM    2  C   UNL     1       1.282  -1.034   0.211  1.00  0.00           C  
HETATM    3  C   UNL     1       1.969  -2.399   0.130  1.00  0.00           C  
HETATM    4  C   UNL     1       3.310  -2.339   0.863  1.00  0.00           C  
HETATM    5  C   UNL     1       3.065  -2.134   2.360  1.00  0.00           C  
HETATM    6  C   UNL     1       4.069  -3.650   0.646  1.00  0.00           C  
HETATM    7  C   UNL     1       2.019  -0.049  -0.659  1.00  0.00           C  
HETATM    8  C   UNL     1       3.860   1.503  -1.037  1.00  0.00           C  
HETATM    9  C   UNL     1       4.792   2.305  -0.127  1.00  0.00           C  
HETATM   10  C   UNL     1       3.965   3.037   0.932  1.00  0.00           C  
HETATM   11  C   UNL     1       3.313   2.048   1.872  1.00  0.00           C  
HETATM   12  C   UNL     1       5.140   2.909   3.018  1.00  0.00           C  
HETATM   13  C   UNL     1       4.882   3.882   1.846  1.00  0.00           C  
HETATM   14  C   UNL     1       4.672   0.871  -2.170  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.319  -2.116   1.148  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.543  -2.778   0.492  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.190  -1.387   0.486  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.889  -0.580  -0.776  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.391   0.856  -0.586  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.740   1.477  -0.868  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.161   1.518  -0.369  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.853   2.773  -0.905  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.909   0.276  -0.856  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.165   0.038   1.024  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.675  -1.404   0.844  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.280  -1.034   1.669  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.102  -1.155  -0.253  1.00  0.00           N  
HETATM   28  N   UNL     1       3.207   0.448  -0.258  1.00  0.00           N  
HETATM   29  N   UNL     1       3.988   2.000   3.033  1.00  0.00           N  
HETATM   30  N   UNL     1      -6.798   0.814  -0.168  1.00  0.00           N  
HETATM   31  O   UNL     1      -0.754  -2.003   1.693  1.00  0.00           O  
HETATM   32  O   UNL     1       2.325   1.393   1.615  1.00  0.00           O  
HETATM   33  O   UNL     1       3.788   0.219  -3.083  1.00  0.00           O  
HETATM   34  O   UNL     1       1.544   0.298  -1.720  1.00  0.00           O  
HETATM   35  O   UNL     1      -2.345  -1.620   0.193  1.00  0.00           O  
HETATM   36  O   UNL     1      -7.443   2.040  -1.901  1.00  0.00           O  
HETATM   37  H   UNL     1       1.290  -0.684   1.243  1.00  0.00           H  
HETATM   38  H   UNL     1       1.334  -3.153   0.595  1.00  0.00           H  
HETATM   39  H   UNL     1       2.137  -2.659  -0.915  1.00  0.00           H  
HETATM   40  H   UNL     1       3.900  -1.509   0.475  1.00  0.00           H  
HETATM   41  H   UNL     1       4.020  -2.019   2.872  1.00  0.00           H  
HETATM   42  H   UNL     1       2.462  -1.239   2.510  1.00  0.00           H  
HETATM   43  H   UNL     1       2.538  -2.999   2.763  1.00  0.00           H  
HETATM   44  H   UNL     1       4.244  -3.796  -0.420  1.00  0.00           H  
HETATM   45  H   UNL     1       5.025  -3.607   1.168  1.00  0.00           H  
HETATM   46  H   UNL     1       3.479  -4.480   1.035  1.00  0.00           H  
HETATM   47  H   UNL     1       3.104   2.165  -1.458  1.00  0.00           H  
HETATM   48  H   UNL     1       5.493   1.629   0.363  1.00  0.00           H  
HETATM   49  H   UNL     1       5.344   3.032  -0.723  1.00  0.00           H  
HETATM   50  H   UNL     1       3.212   3.667   0.458  1.00  0.00           H  
HETATM   51  H   UNL     1       6.060   2.349   2.848  1.00  0.00           H  
HETATM   52  H   UNL     1       5.201   3.457   3.959  1.00  0.00           H  
HETATM   53  H   UNL     1       5.813   4.136   1.338  1.00  0.00           H  
HETATM   54  H   UNL     1       4.370   4.780   2.191  1.00  0.00           H  
HETATM   55  H   UNL     1       5.229   1.648  -2.694  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.869  -2.717   1.938  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.345  -3.172  -0.505  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.051  -3.495   1.138  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.814  -0.570  -0.954  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.396  -1.034  -1.628  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.797   1.352   0.182  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.305   1.401  -1.526  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.163   1.540   0.721  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.931   2.710  -1.990  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.851   2.850  -0.474  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.271   3.654  -0.633  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.416  -0.618  -0.474  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.937   0.306  -0.494  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.907   0.254  -1.945  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.248   0.043   1.144  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.697   0.475   1.906  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.238  -1.883   0.042  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.820  -1.957   1.772  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.715  -1.267   2.641  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.870  -0.025   1.619  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.332  -0.909  -1.163  1.00  0.00           H  
HETATM   77  H   UNL     1       3.628   0.107   0.546  1.00  0.00           H  
HETATM   78  H   UNL     1       3.745   1.437   3.785  1.00  0.00           H  
HETATM   79  H   UNL     1       3.260  -0.485  -2.684  1.00  0.00           H  
HETATM   80  S   UNL     1       5.831  -0.342  -1.480  1.00  0.00           S  
HETATM   81  O   UNL     1       5.129  -1.462  -0.959  1.00  0.00           O  
HETATM   82  O   UNL     1       6.570  -0.892  -2.691  1.00  0.00           O  
HETATM   83  O   UNL     1       6.840   0.309  -0.719  1.00  0.00           O  
HETATM   84  H   UNL     1       7.234  -1.562  -2.475  1.00  0.00           H  
CONECT    1   35   27   31   31                                       
CONECT    2    7   27    3   37                                       
CONECT    3    2    4   38   39                                       
CONECT    4    3    5    6   40                                       
CONECT    5    4   41   42   43                                       
CONECT    6    4   44   45   46                                       
CONECT    7   34   34   28    2                                       
CONECT    8   14    9   28   47                                       
CONECT    9    8   10   48   49                                       
CONECT   10   13    9   11   50                                       
CONECT   11   29   10   32   32                                       
CONECT   12   13   29   51   52                                       
CONECT   13   12   10   53   54                                       
CONECT   14   33    8   55   80                                       
CONECT   15   26   35   16   56                                       
CONECT   16   17   15   57   58                                       
CONECT   17   18   26   16   25                                       
CONECT   18   19   17   59   60                                       
CONECT   19   18   30   61   62                                       
CONECT   20   21   30   36   36                                       
CONECT   21   22   23   20   63                                       
CONECT   22   21   64   65   66                                       
CONECT   23   21   67   68   69                                       
CONECT   24   30   25   70   71                                       
CONECT   25   17   24   72   73                                       
CONECT   26   17   15   74   75                                       
CONECT   27    1    2   76                                            
CONECT   28    8    7   77                                            
CONECT   29   12   11   78                                            
CONECT   30   19   20   24                                            
CONECT   31    1    1                                                 
CONECT   32   11   11                                                 
CONECT   33   14   79                                                 
CONECT   34    7    7                                                 
CONECT   35   15    1                                                 
CONECT   36   20   20                                                 
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   33                                                      
CONECT   80   14   81   81   82                                       
CONECT   80   83   83                                                 
CONECT   81   80   80                                                 
CONECT   82   80   84                                                 
CONECT   83   80   80                                                 
CONECT   84   82                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
