COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.617  -2.760   1.437  1.00  0.00           C  
HETATM    2  C   UNL     1       5.383  -4.102   1.232  1.00  0.00           C  
HETATM    3  C   UNL     1       4.702  -4.515   0.096  1.00  0.00           C  
HETATM    4  C   UNL     1       4.268  -3.576  -0.823  1.00  0.00           C  
HETATM    5  C   UNL     1       4.509  -2.224  -0.618  1.00  0.00           C  
HETATM    6  C   UNL     1       5.177  -1.816   0.518  1.00  0.00           C  
HETATM    7  C   UNL     1       4.028  -1.262  -1.673  1.00  0.00           C  
HETATM    8  C   UNL     1       4.018   0.174  -1.149  1.00  0.00           C  
HETATM    9  C   UNL     1       5.369   0.452  -0.489  1.00  0.00           C  
HETATM   10  C   UNL     1       5.437  -0.367   0.807  1.00  0.00           C  
HETATM   11  C   UNL     1       5.517   1.908  -0.100  1.00  0.00           C  
HETATM   12  C   UNL     1       6.951   2.065   0.479  1.00  0.00           C  
HETATM   13  C   UNL     1       7.004   1.335   1.804  1.00  0.00           C  
HETATM   14  C   UNL     1       6.763  -0.160   1.525  1.00  0.00           C  
HETATM   15  C   UNL     1       5.541   2.914  -1.256  1.00  0.00           C  
HETATM   16  C   UNL     1       6.286   4.131  -0.643  1.00  0.00           C  
HETATM   17  C   UNL     1       7.152   3.575   0.515  1.00  0.00           C  
HETATM   18  C   UNL     1       7.964   1.448  -0.488  1.00  0.00           C  
HETATM   19  C   UNL     1       1.189   0.120  -0.918  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.042   0.257  -0.020  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.308   0.044  -0.853  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.539   0.181   0.045  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.804  -0.031  -0.788  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.035   0.106   0.110  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.300  -0.107  -0.723  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.531   0.030   0.175  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.797  -0.183  -0.659  1.00  0.00           C  
HETATM   28  C   UNL     1     -10.009  -0.048   0.226  1.00  0.00           C  
HETATM   29  C   UNL     1     -11.406  -0.490  -1.721  1.00  0.00           C  
HETATM   30  C   UNL     1     -12.422  -0.066   0.565  1.00  0.00           C  
HETATM   31  C   UNL     1     -12.883   1.393   0.580  1.00  0.00           C  
HETATM   32  C   UNL     1     -14.114   1.530   1.479  1.00  0.00           C  
HETATM   33  N   UNL     1     -11.244  -0.197  -0.295  1.00  0.00           N  
HETATM   34  O   UNL     1       4.462  -5.837  -0.114  1.00  0.00           O  
HETATM   35  O   UNL     1       8.528   3.897   0.304  1.00  0.00           O  
HETATM   36  O   UNL     1      -9.875   0.194   1.407  1.00  0.00           O  
HETATM   37  S   UNL     1       2.689   0.372   0.069  1.00  0.00           S  
HETATM   38  H   UNL     1       6.143  -2.438   2.323  1.00  0.00           H  
HETATM   39  H   UNL     1       5.728  -4.830   1.952  1.00  0.00           H  
HETATM   40  H   UNL     1       3.738  -3.897  -1.707  1.00  0.00           H  
HETATM   41  H   UNL     1       4.688  -1.321  -2.538  1.00  0.00           H  
HETATM   42  H   UNL     1       3.018  -1.538  -1.975  1.00  0.00           H  
HETATM   43  H   UNL     1       3.865   0.866  -1.977  1.00  0.00           H  
HETATM   44  H   UNL     1       6.174   0.151  -1.159  1.00  0.00           H  
HETATM   45  H   UNL     1       4.650  -0.011   1.471  1.00  0.00           H  
HETATM   46  H   UNL     1       4.770   2.181   0.646  1.00  0.00           H  
HETATM   47  H   UNL     1       7.983   1.473   2.263  1.00  0.00           H  
HETATM   48  H   UNL     1       6.227   1.717   2.467  1.00  0.00           H  
HETATM   49  H   UNL     1       6.748  -0.705   2.470  1.00  0.00           H  
HETATM   50  H   UNL     1       7.572  -0.544   0.903  1.00  0.00           H  
HETATM   51  H   UNL     1       6.093   2.512  -2.106  1.00  0.00           H  
HETATM   52  H   UNL     1       4.528   3.190  -1.549  1.00  0.00           H  
HETATM   53  H   UNL     1       6.923   4.598  -1.395  1.00  0.00           H  
HETATM   54  H   UNL     1       5.568   4.855  -0.259  1.00  0.00           H  
HETATM   55  H   UNL     1       6.811   3.979   1.469  1.00  0.00           H  
HETATM   56  H   UNL     1       7.858   1.910  -1.469  1.00  0.00           H  
HETATM   57  H   UNL     1       8.973   1.618  -0.113  1.00  0.00           H  
HETATM   58  H   UNL     1       7.782   0.376  -0.569  1.00  0.00           H  
HETATM   59  H   UNL     1       1.208  -0.876  -1.360  1.00  0.00           H  
HETATM   60  H   UNL     1       1.146   0.868  -1.711  1.00  0.00           H  
HETATM   61  H   UNL     1       0.001  -0.490   0.772  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.061   1.254   0.421  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.351   0.792  -1.646  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.289  -0.952  -1.295  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.495  -0.566   0.837  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.557   1.178   0.486  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.847   0.716  -1.581  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.785  -1.028  -1.230  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.992  -0.642   0.902  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.054   1.102   0.551  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.344   0.640  -1.516  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.282  -1.104  -1.165  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.488  -0.718   0.967  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.550   1.026   0.616  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.840   0.564  -1.451  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.778  -1.179  -1.100  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.411  -1.569  -1.872  1.00  0.00           H  
HETATM   78  H   UNL     1     -12.349  -0.069  -2.073  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.581  -0.048  -2.279  1.00  0.00           H  
HETATM   80  H   UNL     1     -12.169  -0.377   1.579  1.00  0.00           H  
HETATM   81  H   UNL     1     -13.224  -0.696   0.181  1.00  0.00           H  
HETATM   82  H   UNL     1     -12.081   2.024   0.965  1.00  0.00           H  
HETATM   83  H   UNL     1     -13.136   1.705  -0.433  1.00  0.00           H  
HETATM   84  H   UNL     1     -14.916   0.900   1.094  1.00  0.00           H  
HETATM   85  H   UNL     1     -13.861   1.219   2.492  1.00  0.00           H  
HETATM   86  H   UNL     1     -14.442   2.570   1.489  1.00  0.00           H  
HETATM   87  H   UNL     1       3.626  -6.148   0.260  1.00  0.00           H  
HETATM   88  H   UNL     1       8.717   4.845   0.317  1.00  0.00           H  
CONECT    1    2    2    6   38                                       
CONECT    2    1    1    3   39                                       
CONECT    3    2    4    4   34                                       
CONECT    4    3    3    5   40                                       
CONECT    5    4    6    6    7                                       
CONECT    6    1    5    5   10                                       
CONECT    7    5    8   41   42                                       
CONECT    8    7    9   37   43                                       
CONECT    9    8   10   11   44                                       
CONECT   10    6    9   45   14                                       
CONECT   11    9   12   15   46                                       
CONECT   12   11   13   17   18                                       
CONECT   13   12   14   47   48                                       
CONECT   14   13   49   50   10                                       
CONECT   15   11   16   51   52                                       
CONECT   16   15   17   53   54                                       
CONECT   17   12   16   35   55                                       
CONECT   18   12   56   57   58                                       
CONECT   19   20   37   59   60                                       
CONECT   20   19   21   61   62                                       
CONECT   21   20   22   63   64                                       
CONECT   22   21   23   65   66                                       
CONECT   23   22   24   67   68                                       
CONECT   24   23   25   69   70                                       
CONECT   25   24   26   71   72                                       
CONECT   26   25   27   73   74                                       
CONECT   27   26   28   75   76                                       
CONECT   28   27   33   36   36                                       
CONECT   29   33   77   78   79                                       
CONECT   30   31   33   80   81                                       
CONECT   31   30   32   82   83                                       
CONECT   32   31   84   85   86                                       
CONECT   33   28   29   30                                            
CONECT   34    3   87                                                 
CONECT   35   17   88                                                 
CONECT   36   28   28                                                 
CONECT   37    8   19                                                 
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   32                                                      
CONECT   86   32                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
