COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.944   2.721   0.516  1.00  0.00           C  
HETATM    2  C   UNL     1      12.069   1.705   0.308  1.00  0.00           C  
HETATM    3  O   UNL     1      11.181   0.895  -1.849  1.00  0.00           O  
HETATM    4  O   UNL     1      11.574  -0.539  -0.214  1.00  0.00           O  
HETATM    5  C   UNL     1      13.275   2.402  -0.324  1.00  0.00           C  
HETATM    6  O   UNL     1      15.492   1.766  -1.206  1.00  0.00           O  
HETATM    7  O   UNL     1      14.147   0.214  -0.389  1.00  0.00           O  
HETATM    8  C   UNL     1      -8.529   2.380   0.920  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.680   3.533   4.687  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.670   2.531  -0.105  1.00  0.00           C  
HETATM   11  C   UNL     1       7.669   0.108   0.980  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.154   1.786  -1.360  1.00  0.00           C  
HETATM   13  C   UNL     1       6.964  -0.958   0.140  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.655   2.139   3.174  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.068   0.856  -0.761  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.907   1.049   4.024  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.034   0.481  -1.825  1.00  0.00           C  
HETATM   18  C   UNL     1       5.079  -2.487   0.360  1.00  0.00           C  
HETATM   19  C   UNL     1     -10.572   1.294   5.238  1.00  0.00           C  
HETATM   20  C   UNL     1       3.932  -3.068   1.146  1.00  0.00           C  
HETATM   21  C   UNL     1       3.226  -4.134   0.306  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.871   0.282   2.280  1.00  0.00           C  
HETATM   23  C   UNL     1       1.342  -5.663   0.526  1.00  0.00           C  
HETATM   24  C   UNL     1       9.749   2.030   1.177  1.00  0.00           C  
HETATM   25  C   UNL     1       0.153  -6.195   1.284  1.00  0.00           C  
HETATM   26  C   UNL     1      11.590   0.605  -0.604  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.974  -5.161   1.256  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.370  -4.876  -0.194  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.185  -5.705   2.017  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.496  -3.867   1.918  1.00  0.00           C  
HETATM   31  C   UNL     1      14.337   1.380  -0.642  1.00  0.00           C  
HETATM   32  N   UNL     1     -10.939   2.540   5.519  1.00  0.00           N  
HETATM   33  N   UNL     1     -10.056   3.351   3.543  1.00  0.00           N  
HETATM   34  N   UNL     1       5.849  -1.523   0.904  1.00  0.00           N  
HETATM   35  N   UNL     1     -10.848   0.260   6.116  1.00  0.00           N  
HETATM   36  N   UNL     1      -9.403  -0.054   3.420  1.00  0.00           N  
HETATM   37  N   UNL     1       2.111  -4.700   1.070  1.00  0.00           N  
HETATM   38  N   UNL     1      -9.002   1.625   2.083  1.00  0.00           N  
HETATM   39  O   UNL     1       9.113   4.868  -0.320  1.00  0.00           O  
HETATM   40  O   UNL     1      -3.846   0.090  -2.492  1.00  0.00           O  
HETATM   41  O   UNL     1      -5.403  -1.692  -3.370  1.00  0.00           O  
HETATM   42  O   UNL     1      -9.899   3.911  -0.398  1.00  0.00           O  
HETATM   43  O   UNL     1       6.897   4.820   1.094  1.00  0.00           O  
HETATM   44  O   UNL     1      -4.142  -2.206  -1.245  1.00  0.00           O  
HETATM   45  O   UNL     1      -8.582   2.701  -2.297  1.00  0.00           O  
HETATM   46  O   UNL     1       7.396   3.043  -0.627  1.00  0.00           O  
HETATM   47  O   UNL     1      -3.846  -4.585  -2.324  1.00  0.00           O  
HETATM   48  O   UNL     1      -7.462   1.666   0.274  1.00  0.00           O  
HETATM   49  O   UNL     1      -2.029  -2.840  -2.472  1.00  0.00           O  
HETATM   50  O   UNL     1      -6.113  -0.466  -1.281  1.00  0.00           O  
HETATM   51  O   UNL     1       5.309  -2.886  -0.762  1.00  0.00           O  
HETATM   52  O   UNL     1      -2.422  -3.910  -0.220  1.00  0.00           O  
HETATM   53  O   UNL     1      -8.332   4.062  -4.532  1.00  0.00           O  
HETATM   54  O   UNL     1      -8.858   1.487  -4.613  1.00  0.00           O  
HETATM   55  O   UNL     1     -10.566   3.153  -3.789  1.00  0.00           O  
HETATM   56  O   UNL     1       1.606  -6.102  -0.573  1.00  0.00           O  
HETATM   57  O   UNL     1      10.179   1.375   2.372  1.00  0.00           O  
HETATM   58  O   UNL     1       8.755   3.005   1.500  1.00  0.00           O  
HETATM   59  O   UNL     1      -0.297  -7.407   0.675  1.00  0.00           O  
HETATM   60  O   UNL     1      12.447   1.148   1.569  1.00  0.00           O  
HETATM   61  P   UNL     1       8.026   3.915   0.389  1.00  0.00           P  
HETATM   62  P   UNL     1      -4.887  -1.082  -2.124  1.00  0.00           P  
HETATM   63  P   UNL     1      -3.087  -3.374  -1.585  1.00  0.00           P  
HETATM   64  P   UNL     1      -9.116   2.857  -3.807  1.00  0.00           P  
HETATM   65  S   UNL     1       9.050   0.808   0.034  1.00  0.00           S  
HETATM   66  H   UNL     1      11.298   3.528   1.158  1.00  0.00           H  
HETATM   67  H   UNL     1      10.641   3.129  -0.448  1.00  0.00           H  
HETATM   68  H   UNL     1      10.882   0.156  -2.396  1.00  0.00           H  
HETATM   69  H   UNL     1      12.966   2.902  -1.242  1.00  0.00           H  
HETATM   70  H   UNL     1      13.677   3.138   0.373  1.00  0.00           H  
HETATM   71  H   UNL     1      16.142   1.074  -1.392  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.180   3.363   1.234  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.996   4.530   4.955  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.582   2.065   0.268  1.00  0.00           H  
HETATM   75  H   UNL     1       6.963   0.899   1.231  1.00  0.00           H  
HETATM   76  H   UNL     1       8.049  -0.344   1.896  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.952   1.205  -1.822  1.00  0.00           H  
HETATM   78  H   UNL     1       6.584  -0.506  -0.776  1.00  0.00           H  
HETATM   79  H   UNL     1       7.670  -1.749  -0.111  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.521  -0.038  -0.334  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.540   0.043  -2.685  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.494   1.375  -2.137  1.00  0.00           H  
HETATM   83  H   UNL     1       4.312  -3.520   2.062  1.00  0.00           H  
HETATM   84  H   UNL     1       3.226  -2.277   1.397  1.00  0.00           H  
HETATM   85  H   UNL     1       2.847  -3.682  -0.611  1.00  0.00           H  
HETATM   86  H   UNL     1       3.933  -4.925   0.055  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.397  -0.402   1.592  1.00  0.00           H  
HETATM   88  H   UNL     1       0.439  -6.393   2.317  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.507  -4.488  -0.736  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.711  -5.798  -0.665  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.925  -5.835   3.068  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.014  -5.003   1.932  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.478  -6.666   1.594  1.00  0.00           H  
HETATM   94  H   UNL     1       0.294  -3.420   1.313  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.330  -3.170   1.999  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.110  -4.089   2.913  1.00  0.00           H  
HETATM   97  H   UNL     1       5.664  -1.204   1.801  1.00  0.00           H  
HETATM   98  H   UNL     1     -10.581  -0.647   5.896  1.00  0.00           H  
HETATM   99  H   UNL     1     -11.307   0.441   6.950  1.00  0.00           H  
HETATM  100  H   UNL     1       1.927  -4.380   1.967  1.00  0.00           H  
HETATM  101  H   UNL     1       9.619   5.415   0.296  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.467   0.535  -1.721  1.00  0.00           H  
HETATM  103  H   UNL     1     -10.169   4.436   0.368  1.00  0.00           H  
HETATM  104  H   UNL     1       6.416   5.396   0.483  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.554  -4.984  -1.800  1.00  0.00           H  
HETATM  106  H   UNL     1      -8.603   4.213  -5.448  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.927   1.231  -4.664  1.00  0.00           H  
HETATM  108  H   UNL     1      10.705   0.578   2.216  1.00  0.00           H  
HETATM  109  H   UNL     1      -0.569  -7.306  -0.248  1.00  0.00           H  
HETATM  110  H   UNL     1      12.701   1.807   2.229  1.00  0.00           H  
CONECT    1   24    2   66   67                                       
CONECT    2    1   60    5   26                                       
CONECT    3   26   68                                                 
CONECT    4   26   26                                                 
CONECT    5    2   31   69   70                                       
CONECT    6   31   71                                                 
CONECT    7   31   31                                                 
CONECT    8   10   48   38   72                                       
CONECT    9   33   33   32   73                                       
CONECT   10   12   42    8   74                                       
CONECT   11   13   65   75   76                                       
CONECT   12   45   10   15   77                                       
CONECT   13   11   34   78   79                                       
CONECT   14   33   38   16   16                                       
CONECT   15   12   17   48   80                                       
CONECT   16   14   14   19   36                                       
CONECT   17   15   50   81   82                                       
CONECT   18   51   51   20   34                                       
CONECT   19   32   32   16   35                                       
CONECT   20   18   21   83   84                                       
CONECT   21   20   37   85   86                                       
CONECT   22   38   36   36   87                                       
CONECT   23   37   25   56   56                                       
CONECT   24   58   65   57    1                                       
CONECT   25   27   59   23   88                                       
CONECT   26    2    4    4    3                                       
CONECT   27   29   28   25   30                                       
CONECT   28   27   52   89   90                                       
CONECT   29   27   91   92   93                                       
CONECT   30   27   94   95   96                                       
CONECT   31    5    7    7    6                                       
CONECT   32    9   19   19                                            
CONECT   33    9    9   14                                            
CONECT   34   18   13   97                                            
CONECT   35   19   98   99                                            
CONECT   36   16   22   22                                            
CONECT   37   21   23  100                                            
CONECT   38    8   14   22                                            
CONECT   39   61  101                                                 
CONECT   40   62  102                                                 
CONECT   41   62   62                                                 
CONECT   42   10  103                                                 
CONECT   43   61  104                                                 
CONECT   44   62   63                                                 
CONECT   45   64   12                                                 
CONECT   46   61   61                                                 
CONECT   47   63  105                                                 
CONECT   48   15    8                                                 
CONECT   49   63   63                                                 
CONECT   50   17   62                                                 
CONECT   51   18   18                                                 
CONECT   52   28   63                                                 
CONECT   53   64  106                                                 
CONECT   54   64  107                                                 
CONECT   55   64   64                                                 
CONECT   56   23   23                                                 
CONECT   57   24  108                                                 
CONECT   58   61   24                                                 
CONECT   59   25  109                                                 
CONECT   60    2  110                                                 
CONECT   61   46   46   39   43                                       
CONECT   61   58                                                      
CONECT   62   41   41   50   44                                       
CONECT   62   40                                                      
CONECT   63   49   49   52   44                                       
CONECT   63   47                                                      
CONECT   64   55   55   53   54                                       
CONECT   64   45                                                      
CONECT   65   11   24                                                 
CONECT   66    1                                                      
CONECT   67    1                                                      
CONECT   68    3                                                      
CONECT   69    5                                                      
CONECT   70    5                                                      
CONECT   71    6                                                      
CONECT   72    8                                                      
CONECT   73    9                                                      
CONECT   74   10                                                      
CONECT   75   11                                                      
CONECT   76   11                                                      
CONECT   77   12                                                      
CONECT   78   13                                                      
CONECT   79   13                                                      
CONECT   80   15                                                      
CONECT   81   17                                                      
CONECT   82   17                                                      
CONECT   83   20                                                      
CONECT   84   20                                                      
CONECT   85   21                                                      
CONECT   86   21                                                      
CONECT   87   22                                                      
CONECT   88   25                                                      
CONECT   89   28                                                      
CONECT   90   28                                                      
CONECT   91   29                                                      
CONECT   92   29                                                      
CONECT   93   29                                                      
CONECT   94   30                                                      
CONECT   95   30                                                      
CONECT   96   30                                                      
CONECT   97   34                                                      
CONECT   98   35                                                      
CONECT   99   35                                                      
CONECT  100   37                                                      
CONECT  101   39                                                      
CONECT  102   40                                                      
CONECT  103   42                                                      
CONECT  104   43                                                      
CONECT  105   47                                                      
CONECT  106   53                                                      
CONECT  107   54                                                      
CONECT  108   57                                                      
CONECT  109   59                                                      
CONECT  110   60                                                      
MASTER        0    0    0    0    0    0    0    0  110    0  110    0
END
