COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.405   0.478   0.018  1.00  0.00           C  
HETATM    2  C   UNL     1       6.481   0.329   1.284  1.00  0.00           C  
HETATM    3  C   UNL     1       7.891  -0.092   0.958  1.00  0.00           C  
HETATM    4  C   UNL     1       8.940   0.783   1.180  1.00  0.00           C  
HETATM    5  C   UNL     1      10.233   0.404   0.883  1.00  0.00           C  
HETATM    6  C   UNL     1      10.482  -0.865   0.359  1.00  0.00           C  
HETATM    7  C   UNL     1      11.865  -1.278   0.040  1.00  0.00           C  
HETATM    8  C   UNL     1      14.198  -1.587  -0.686  1.00  0.00           C  
HETATM    9  C   UNL     1      12.447  -2.447   0.386  1.00  0.00           C  
HETATM   10  C   UNL     1      11.732  -3.516   1.170  1.00  0.00           C  
HETATM   11  C   UNL     1       9.420  -1.743   0.139  1.00  0.00           C  
HETATM   12  C   UNL     1       8.132  -1.354   0.444  1.00  0.00           C  
HETATM   13  C   UNL     1       6.070  -0.266   2.633  1.00  0.00           C  
HETATM   14  C   UNL     1       3.474  -0.016  -1.060  1.00  0.00           C  
HETATM   15  C   UNL     1       1.415   1.053  -0.110  1.00  0.00           C  
HETATM   16  C   UNL     1       0.299   2.053  -0.272  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.113   1.995   0.068  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.313   1.519   0.795  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.590   1.934   0.418  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.688   1.462   1.129  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.981   1.256   1.639  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.365   1.786   1.258  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.706   0.098  -0.357  1.00  0.00           C  
HETATM   24  C   UNL     1     -10.884  -0.505  -0.823  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.754  -2.092  -0.345  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.617  -3.011  -0.099  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.402  -2.512   0.365  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.346  -3.372   0.592  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.490  -4.728   0.360  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.691  -5.234  -0.101  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.761  -4.383  -0.327  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.610  -0.721  -0.111  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.622   2.087  -1.026  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.238   1.556  -0.645  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.337   0.209   2.522  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.195   0.635   1.874  1.00  0.00           C  
HETATM   37  C   UNL     1       0.738   3.404   0.299  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.397   4.417   0.142  1.00  0.00           C  
HETATM   39  C   UNL     1       1.079   3.244   1.782  1.00  0.00           C  
HETATM   40  C   UNL     1       1.973   3.900  -0.457  1.00  0.00           C  
HETATM   41  C   UNL     1       2.190   1.430  -2.469  1.00  0.00           C  
HETATM   42  C   UNL     1       3.646   1.408  -3.010  1.00  0.00           C  
HETATM   43  C   UNL     1       4.172   0.067  -2.434  1.00  0.00           C  
HETATM   44  N   UNL     1       5.574  -0.155   0.241  1.00  0.00           N  
HETATM   45  N   UNL     1      13.691  -2.571  -0.021  1.00  0.00           N  
HETATM   46  N   UNL     1       2.281   0.840  -1.121  1.00  0.00           N  
HETATM   47  N   UNL     1      -0.887   1.582   0.447  1.00  0.00           N  
HETATM   48  N   UNL     1      -6.968   1.866   0.766  1.00  0.00           N  
HETATM   49  N   UNL     1      -9.635   1.477  -0.153  1.00  0.00           N  
HETATM   50  N   UNL     1     -12.010   0.273  -1.086  1.00  0.00           N  
HETATM   51  N   UNL     1     -10.922  -1.813  -1.014  1.00  0.00           N  
HETATM   52  N   UNL     1      -9.911  -2.569  -0.786  1.00  0.00           N  
HETATM   53  N   UNL     1      -5.528   0.631   2.147  1.00  0.00           N  
HETATM   54  O   UNL     1       4.105   1.448   0.681  1.00  0.00           O  
HETATM   55  O   UNL     1       1.533   0.440   0.930  1.00  0.00           O  
HETATM   56  O   UNL     1      -2.234   2.758  -0.870  1.00  0.00           O  
HETATM   57  O   UNL     1      -8.943  -4.880  -0.774  1.00  0.00           O  
HETATM   58  O   UNL     1       3.661   1.395  -4.439  1.00  0.00           O  
HETATM   59  S   UNL     1      13.047  -0.337  -0.867  1.00  0.00           S  
HETATM   60  H   UNL     1       6.429   1.416   1.335  1.00  0.00           H  
HETATM   61  H   UNL     1       8.746   1.765   1.586  1.00  0.00           H  
HETATM   62  H   UNL     1      11.050   1.088   1.056  1.00  0.00           H  
HETATM   63  H   UNL     1      15.204  -1.561  -1.077  1.00  0.00           H  
HETATM   64  H   UNL     1      11.298  -4.242   0.483  1.00  0.00           H  
HETATM   65  H   UNL     1      12.440  -4.018   1.830  1.00  0.00           H  
HETATM   66  H   UNL     1      10.940  -3.062   1.766  1.00  0.00           H  
HETATM   67  H   UNL     1       9.606  -2.727  -0.267  1.00  0.00           H  
HETATM   68  H   UNL     1       7.310  -2.034   0.278  1.00  0.00           H  
HETATM   69  H   UNL     1       5.051   0.039   2.868  1.00  0.00           H  
HETATM   70  H   UNL     1       6.122  -1.353   2.582  1.00  0.00           H  
HETATM   71  H   UNL     1       6.746   0.094   3.409  1.00  0.00           H  
HETATM   72  H   UNL     1       3.182  -1.046  -0.854  1.00  0.00           H  
HETATM   73  H   UNL     1       0.063   2.166  -1.330  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.724   2.612  -0.412  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.766   1.510   2.677  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.960   0.173   1.517  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.121   1.313   1.885  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.394   2.866   1.405  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.286  -1.454   0.547  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.405  -2.984   0.952  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.659  -5.395   0.539  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.796  -6.293  -0.281  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.678  -0.312   0.248  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.642   3.170  -0.905  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.836   1.833  -2.064  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.209   0.477  -0.793  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.482   2.029  -1.273  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.252  -0.468   3.359  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.224   0.283   2.189  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.276   4.064   0.681  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.084   5.379   0.548  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.640   4.530  -0.915  1.00  0.00           H  
HETATM   93  H   UNL     1       1.888   2.522   1.893  1.00  0.00           H  
HETATM   94  H   UNL     1       1.392   4.206   2.188  1.00  0.00           H  
HETATM   95  H   UNL     1       0.200   2.891   2.320  1.00  0.00           H  
HETATM   96  H   UNL     1       1.708   4.094  -1.497  1.00  0.00           H  
HETATM   97  H   UNL     1       2.336   4.819   0.003  1.00  0.00           H  
HETATM   98  H   UNL     1       2.753   3.140  -0.417  1.00  0.00           H  
HETATM   99  H   UNL     1       1.821   2.454  -2.412  1.00  0.00           H  
HETATM  100  H   UNL     1       1.540   0.826  -3.102  1.00  0.00           H  
HETATM  101  H   UNL     1       4.220   2.250  -2.623  1.00  0.00           H  
HETATM  102  H   UNL     1       5.255   0.096  -2.316  1.00  0.00           H  
HETATM  103  H   UNL     1       3.875  -0.768  -3.068  1.00  0.00           H  
HETATM  104  H   UNL     1       5.814  -0.931  -0.290  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.790   0.973   1.196  1.00  0.00           H  
HETATM  106  H   UNL     1     -11.980   1.232  -0.946  1.00  0.00           H  
HETATM  107  H   UNL     1     -12.824  -0.146  -1.408  1.00  0.00           H  
HETATM  108  H   UNL     1      -9.017  -4.913  -1.737  1.00  0.00           H  
HETATM  109  H   UNL     1       3.252   2.172  -4.844  1.00  0.00           H  
CONECT    1   14   54   54   44                                       
CONECT    2   44    3   13   60                                       
CONECT    3    2   12   12    4                                       
CONECT    4    3    5    5   61                                       
CONECT    5    4    4    6   62                                       
CONECT    6   11   11    5    7                                       
CONECT    7    9    9    6   59                                       
CONECT    8   45   45   59   63                                       
CONECT    9   10    7    7   45                                       
CONECT   10    9   64   65   66                                       
CONECT   11   12    6    6   67                                       
CONECT   12    3    3   11   68                                       
CONECT   13    2   69   70   71                                       
CONECT   14   46   43    1   72                                       
CONECT   15   16   46   55   55                                       
CONECT   16   47   37   15   73                                       
CONECT   17   18   47   56   56                                       
CONECT   18   36   36   19   17                                       
CONECT   19   20   20   18   74                                       
CONECT   20   53   48   19   19                                       
CONECT   21   48   22   75   76                                       
CONECT   22   21   49   77   78                                       
CONECT   23   49   24   24   32                                       
CONECT   24   50   23   23   51                                       
CONECT   25   32   32   52   26                                       
CONECT   26   25   27   27   31                                       
CONECT   27   26   26   28   79                                       
CONECT   28   27   29   29   80                                       
CONECT   29   28   28   30   81                                       
CONECT   30   31   31   29   82                                       
CONECT   31   26   57   30   30                                       
CONECT   32   23   25   25   83                                       
CONECT   33   34   49   84   85                                       
CONECT   34   48   33   86   87                                       
CONECT   35   53   53   36   88                                       
CONECT   36   35   18   18   89                                       
CONECT   37   39   16   40   38                                       
CONECT   38   37   90   91   92                                       
CONECT   39   37   93   94   95                                       
CONECT   40   37   96   97   98                                       
CONECT   41   42   46   99  100                                       
CONECT   42   58   41   43  101                                       
CONECT   43   42   14  102  103                                       
CONECT   44    1    2  104                                            
CONECT   45    9    8    8                                            
CONECT   46   41   15   14                                            
CONECT   47   17   16  105                                            
CONECT   48   20   21   34                                            
CONECT   49   22   33   23                                            
CONECT   50   24  106  107                                            
CONECT   51   24   52   52                                            
CONECT   52   51   51   25                                            
CONECT   53   35   35   20                                            
CONECT   54    1    1                                                 
CONECT   55   15   15                                                 
CONECT   56   17   17                                                 
CONECT   57   31  108                                                 
CONECT   58   42  109                                                 
CONECT   59    7    8                                                 
CONECT   60    2                                                      
CONECT   61    4                                                      
CONECT   62    5                                                      
CONECT   63    8                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   13                                                      
CONECT   72   14                                                      
CONECT   73   16                                                      
CONECT   74   19                                                      
CONECT   75   21                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   22                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   36                                                      
CONECT   90   38                                                      
CONECT   91   38                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   39                                                      
CONECT   95   39                                                      
CONECT   96   40                                                      
CONECT   97   40                                                      
CONECT   98   40                                                      
CONECT   99   41                                                      
CONECT  100   41                                                      
CONECT  101   42                                                      
CONECT  102   43                                                      
CONECT  103   43                                                      
CONECT  104   44                                                      
CONECT  105   47                                                      
CONECT  106   50                                                      
CONECT  107   50                                                      
CONECT  108   57                                                      
CONECT  109   58                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
