COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.347  -4.421   0.170  1.00  0.00           C  
HETATM    2  C   UNL     1       2.237  -5.387  -0.262  1.00  0.00           C  
HETATM    3  C   UNL     1       2.685  -5.378  -1.572  1.00  0.00           C  
HETATM    4  C   UNL     1       2.266  -4.386  -2.440  1.00  0.00           C  
HETATM    5  C   UNL     1       1.383  -3.414  -2.008  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.525   1.456  -3.149  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.981   0.632  -2.412  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.604   0.399  -1.103  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.916  -0.054   0.017  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.591  -0.365   1.183  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.872  -1.046   2.318  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.760  -2.544   2.028  1.00  0.00           C  
HETATM   13  C   UNL     1       0.707  -2.965   2.067  1.00  0.00           C  
HETATM   14  C   UNL     1       0.863  -4.411   1.597  1.00  0.00           C  
HETATM   15  C   UNL     1       0.945  -2.308  -2.933  1.00  0.00           C  
HETATM   16  C   UNL     1       0.839  -0.998  -2.136  1.00  0.00           C  
HETATM   17  C   UNL     1       2.247  -0.461  -1.863  1.00  0.00           C  
HETATM   18  N   UNL     1       2.153   0.850  -1.206  1.00  0.00           N  
HETATM   19  C   UNL     1       3.482   1.345  -0.825  1.00  0.00           C  
HETATM   20  C   UNL     1       3.840   0.823   0.543  1.00  0.00           C  
HETATM   21  N   UNL     1       5.023   1.150   1.100  1.00  0.00           N  
HETATM   22  C   UNL     1       5.370   0.643   2.430  1.00  0.00           C  
HETATM   23  C   UNL     1       6.755   1.159   2.827  1.00  0.00           C  
HETATM   24  C   UNL     1       6.709   2.681   2.973  1.00  0.00           C  
HETATM   25  C   UNL     1       7.171   0.530   4.158  1.00  0.00           C  
HETATM   26  O   UNL     1       3.064   0.109   1.141  1.00  0.00           O  
HETATM   27  C   UNL     1       3.469   2.875  -0.800  1.00  0.00           C  
HETATM   28  C   UNL     1       3.243   3.406  -2.217  1.00  0.00           C  
HETATM   29  C   UNL     1       3.193   4.935  -2.186  1.00  0.00           C  
HETATM   30  C   UNL     1       2.967   5.466  -3.603  1.00  0.00           C  
HETATM   31  N   UNL     1       0.085  -0.016  -2.930  1.00  0.00           N  
HETATM   32  C   UNL     1       0.907  -3.450  -0.711  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.940  -0.089   1.299  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.623   0.476   0.228  1.00  0.00           C  
HETATM   35  N   UNL     1      -4.972   0.817   0.361  1.00  0.00           N  
HETATM   36  C   UNL     1      -5.969   0.229  -0.539  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.410  -1.129   0.008  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.451  -1.743  -0.931  1.00  0.00           C  
HETATM   39  S   UNL     1      -5.445   1.887   1.534  1.00  0.00           S  
HETATM   40  O   UNL     1      -6.564   2.556   0.968  1.00  0.00           O  
HETATM   41  C   UNL     1      -5.964   0.837   2.920  1.00  0.00           C  
HETATM   42  O   UNL     1      -4.257   2.594   1.862  1.00  0.00           O  
HETATM   43  C   UNL     1      -2.967   0.708  -0.966  1.00  0.00           C  
HETATM   44  H   UNL     1       2.572  -6.157   0.415  1.00  0.00           H  
HETATM   45  H   UNL     1       3.361  -6.146  -1.922  1.00  0.00           H  
HETATM   46  H   UNL     1       2.622  -4.365  -3.462  1.00  0.00           H  
HETATM   47  H   UNL     1       0.156  -0.156   0.009  1.00  0.00           H  
HETATM   48  H   UNL     1       0.133  -0.627   2.415  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.424  -0.891   3.242  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.324  -3.098   2.780  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.182  -2.757   1.047  1.00  0.00           H  
HETATM   52  H   UNL     1       1.285  -2.309   1.418  1.00  0.00           H  
HETATM   53  H   UNL     1       1.081  -2.879   3.092  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.097  -4.922   1.670  1.00  0.00           H  
HETATM   55  H   UNL     1       1.595  -4.924   2.221  1.00  0.00           H  
HETATM   56  H   UNL     1       1.683  -2.189  -3.725  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.023  -2.546  -3.365  1.00  0.00           H  
HETATM   58  H   UNL     1       0.331  -1.212  -1.203  1.00  0.00           H  
HETATM   59  H   UNL     1       2.782  -1.155  -1.214  1.00  0.00           H  
HETATM   60  H   UNL     1       2.786  -0.357  -2.805  1.00  0.00           H  
HETATM   61  H   UNL     1       1.674   1.515  -1.794  1.00  0.00           H  
HETATM   62  H   UNL     1       4.220   1.000  -1.550  1.00  0.00           H  
HETATM   63  H   UNL     1       5.643   1.721   0.622  1.00  0.00           H  
HETATM   64  H   UNL     1       4.633   0.988   3.155  1.00  0.00           H  
HETATM   65  H   UNL     1       5.380  -0.447   2.412  1.00  0.00           H  
HETATM   66  H   UNL     1       7.477   0.890   2.056  1.00  0.00           H  
HETATM   67  H   UNL     1       5.987   2.951   3.744  1.00  0.00           H  
HETATM   68  H   UNL     1       7.696   3.049   3.256  1.00  0.00           H  
HETATM   69  H   UNL     1       6.413   3.129   2.025  1.00  0.00           H  
HETATM   70  H   UNL     1       7.204  -0.554   4.054  1.00  0.00           H  
HETATM   71  H   UNL     1       8.158   0.898   4.441  1.00  0.00           H  
HETATM   72  H   UNL     1       6.449   0.800   4.929  1.00  0.00           H  
HETATM   73  H   UNL     1       2.665   3.220  -0.150  1.00  0.00           H  
HETATM   74  H   UNL     1       4.424   3.240  -0.423  1.00  0.00           H  
HETATM   75  H   UNL     1       4.060   3.082  -2.861  1.00  0.00           H  
HETATM   76  H   UNL     1       2.300   3.019  -2.604  1.00  0.00           H  
HETATM   77  H   UNL     1       2.375   5.259  -1.542  1.00  0.00           H  
HETATM   78  H   UNL     1       4.136   5.322  -1.799  1.00  0.00           H  
HETATM   79  H   UNL     1       2.931   6.555  -3.582  1.00  0.00           H  
HETATM   80  H   UNL     1       3.784   5.142  -4.247  1.00  0.00           H  
HETATM   81  H   UNL     1       2.024   5.080  -3.990  1.00  0.00           H  
HETATM   82  H   UNL     1       0.358   0.169  -3.860  1.00  0.00           H  
HETATM   83  H   UNL     1       0.173  -2.731  -0.381  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.459  -0.300   2.221  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.832   0.892  -0.607  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.532   0.098  -1.529  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.547  -1.791   0.077  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.847  -0.998   0.998  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.765  -2.711  -0.541  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.314  -1.081  -0.999  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.014  -1.875  -1.921  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.175   0.120   3.147  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.152   1.459   3.795  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.875   0.303   2.650  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.497   1.121  -1.816  1.00  0.00           H  
CONECT    1   14    2    2   32                                       
CONECT    2    1    1    3   44                                       
CONECT    3    2    4    4   45                                       
CONECT    4    3    3    5   46                                       
CONECT    5   32   32    4   15                                       
CONECT    6    7    7                                                 
CONECT    7   31    8    6    6                                       
CONECT    8    9    7   43   43                                       
CONECT    9   10   10    8   47                                       
CONECT   10   11    9    9   33                                       
CONECT   11   12   10   48   49                                       
CONECT   12   13   11   50   51                                       
CONECT   13   14   12   52   53                                       
CONECT   14   13    1   54   55                                       
CONECT   15    5   16   56   57                                       
CONECT   16   15   31   17   58                                       
CONECT   17   16   18   59   60                                       
CONECT   18   17   19   61                                            
CONECT   19   18   20   27   62                                       
CONECT   20   19   21   26   26                                       
CONECT   21   20   22   63                                            
CONECT   22   21   23   64   65                                       
CONECT   23   22   25   24   66                                       
CONECT   24   23   67   68   69                                       
CONECT   25   23   70   71   72                                       
CONECT   26   20   20                                                 
CONECT   27   19   28   73   74                                       
CONECT   28   27   29   75   76                                       
CONECT   29   28   30   77   78                                       
CONECT   30   29   79   80   81                                       
CONECT   31   16    7   82                                            
CONECT   32    1    5    5   83                                       
CONECT   33   10   34   34   84                                       
CONECT   34   33   33   43   35                                       
CONECT   35   34   39   36                                            
CONECT   36   35   37   85   86                                       
CONECT   37   38   36   87   88                                       
CONECT   38   37   89   90   91                                       
CONECT   39   42   42   41   35                                       
CONECT   39   40   40                                                 
CONECT   40   39   39                                                 
CONECT   41   39   92   93   94                                       
CONECT   42   39   39                                                 
CONECT   43    8    8   34   95                                       
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   38                                                      
CONECT   91   38                                                      
CONECT   92   41                                                      
CONECT   93   41                                                      
CONECT   94   41                                                      
CONECT   95   43                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
