COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      17.554   3.198  -0.067  1.00  0.00           C  
HETATM    2  O   UNL     1      18.931   3.282  -0.496  1.00  0.00           O  
HETATM    3  C   UNL     1      19.183   2.052  -1.210  1.00  0.00           C  
HETATM    4  O   UNL     1      20.586   1.789  -1.269  1.00  0.00           O  
HETATM    5  C   UNL     1      18.466   0.961  -0.383  1.00  0.00           C  
HETATM    6  O   UNL     1      17.879  -0.016  -1.244  1.00  0.00           O  
HETATM    7  C   UNL     1      17.370   1.733   0.386  1.00  0.00           C  
HETATM    8  O   UNL     1      16.073   1.256   0.023  1.00  0.00           O  
HETATM    9  C   UNL     1      17.298   4.153   1.100  1.00  0.00           C  
HETATM   10  O   UNL     1      17.359   5.503   0.634  1.00  0.00           O  
HETATM   11  O   UNL     1       6.493  -1.168  -0.385  1.00  0.00           O  
HETATM   12  C   UNL     1       7.569  -1.056   0.548  1.00  0.00           C  
HETATM   13  O   UNL     1       9.201  -1.881  -1.032  1.00  0.00           O  
HETATM   14  C   UNL     1       9.997  -0.522   0.801  1.00  0.00           C  
HETATM   15  O   UNL     1       9.665   0.595   1.628  1.00  0.00           O  
HETATM   16  C   UNL     1      11.297  -0.230   0.048  1.00  0.00           C  
HETATM   17  O   UNL     1      11.628  -1.347  -0.780  1.00  0.00           O  
HETATM   18  C   UNL     1      12.424   0.012   1.053  1.00  0.00           C  
HETATM   19  C   UNL     1       8.869  -0.765  -0.204  1.00  0.00           C  
HETATM   20  O   UNL     1      13.610   0.399   0.355  1.00  0.00           O  
HETATM   21  P   UNL     1      14.997   0.734   1.100  1.00  0.00           P  
HETATM   22  O   UNL     1      15.556  -0.595   1.817  1.00  0.00           O  
HETATM   23  O   UNL     1      14.769   1.784   2.118  1.00  0.00           O  
HETATM   24  C   UNL     1       3.836  -3.120   0.937  1.00  0.00           C  
HETATM   25  O   UNL     1       5.228  -2.756   0.816  1.00  0.00           O  
HETATM   26  C   UNL     1       5.227  -1.441   0.218  1.00  0.00           C  
HETATM   27  C   UNL     1       4.120  -1.499  -0.859  1.00  0.00           C  
HETATM   28  O   UNL     1       3.416  -0.257  -0.920  1.00  0.00           O  
HETATM   29  C   UNL     1       3.184  -2.629  -0.374  1.00  0.00           C  
HETATM   30  O   UNL     1       1.873  -2.119  -0.122  1.00  0.00           O  
HETATM   31  C   UNL     1       3.690  -4.637   1.069  1.00  0.00           C  
HETATM   32  O   UNL     1       4.194  -5.056   2.339  1.00  0.00           O  
HETATM   33  O   UNL     1      -7.741   0.241  -0.034  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.821  -0.644  -0.677  1.00  0.00           C  
HETATM   35  O   UNL     1      -5.034   0.982  -0.649  1.00  0.00           O  
HETATM   36  C   UNL     1      -4.428  -1.352  -0.800  1.00  0.00           C  
HETATM   37  O   UNL     1      -4.793  -2.662  -0.360  1.00  0.00           O  
HETATM   38  C   UNL     1      -3.006  -1.036  -0.333  1.00  0.00           C  
HETATM   39  O   UNL     1      -2.641   0.274  -0.772  1.00  0.00           O  
HETATM   40  C   UNL     1      -2.035  -2.061  -0.923  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.399  -0.327  -0.210  1.00  0.00           C  
HETATM   42  O   UNL     1      -0.727  -1.836  -0.395  1.00  0.00           O  
HETATM   43  P   UNL     1       0.548  -2.733  -0.800  1.00  0.00           P  
HETATM   44  O   UNL     1       0.329  -4.242  -0.281  1.00  0.00           O  
HETATM   45  O   UNL     1       0.702  -2.735  -2.272  1.00  0.00           O  
HETATM   46  C   UNL     1     -10.727   0.593  -1.928  1.00  0.00           C  
HETATM   47  O   UNL     1      -9.307   0.360  -1.794  1.00  0.00           O  
HETATM   48  C   UNL     1      -9.105   0.028  -0.403  1.00  0.00           C  
HETATM   49  C   UNL     1     -10.029   0.995   0.371  1.00  0.00           C  
HETATM   50  O   UNL     1     -10.607   0.337   1.501  1.00  0.00           O  
HETATM   51  C   UNL     1     -11.120   1.375  -0.655  1.00  0.00           C  
HETATM   52  O   UNL     1     -12.408   0.963  -0.192  1.00  0.00           O  
HETATM   53  C   UNL     1     -11.017   1.428  -3.177  1.00  0.00           C  
HETATM   54  O   UNL     1     -10.756   0.646  -4.344  1.00  0.00           O  
HETATM   55  O   UNL     1     -22.074  -0.185   1.559  1.00  0.00           O  
HETATM   56  C   UNL     1     -21.111   0.833   1.279  1.00  0.00           C  
HETATM   57  O   UNL     1     -19.400  -0.232   2.612  1.00  0.00           O  
HETATM   58  C   UNL     1     -18.688   1.287   0.872  1.00  0.00           C  
HETATM   59  O   UNL     1     -18.996   1.745  -0.447  1.00  0.00           O  
HETATM   60  C   UNL     1     -17.284   0.680   0.886  1.00  0.00           C  
HETATM   61  O   UNL     1     -16.977   0.222   2.205  1.00  0.00           O  
HETATM   62  C   UNL     1     -16.265   1.741   0.465  1.00  0.00           C  
HETATM   63  C   UNL     1     -19.707   0.226   1.293  1.00  0.00           C  
HETATM   64  O   UNL     1     -14.970   1.145   0.366  1.00  0.00           O  
HETATM   65  P   UNL     1     -13.655   1.972  -0.056  1.00  0.00           P  
HETATM   66  O   UNL     1     -13.331   3.077   1.069  1.00  0.00           O  
HETATM   67  O   UNL     1     -13.889   2.643  -1.355  1.00  0.00           O  
HETATM   68  H   UNL     1      16.884   3.426  -0.897  1.00  0.00           H  
HETATM   69  H   UNL     1      18.764   2.104  -2.215  1.00  0.00           H  
HETATM   70  H   UNL     1      21.094   2.467  -1.735  1.00  0.00           H  
HETATM   71  H   UNL     1      19.161   0.491   0.313  1.00  0.00           H  
HETATM   72  H   UNL     1      18.518  -0.489  -1.795  1.00  0.00           H  
HETATM   73  H   UNL     1      17.523   1.644   1.462  1.00  0.00           H  
HETATM   74  H   UNL     1      16.311   3.958   1.520  1.00  0.00           H  
HETATM   75  H   UNL     1      18.056   4.000   1.868  1.00  0.00           H  
HETATM   76  H   UNL     1      17.206   6.164   1.322  1.00  0.00           H  
HETATM   77  H   UNL     1       7.363  -0.244   1.245  1.00  0.00           H  
HETATM   78  H   UNL     1       7.670  -1.991   1.099  1.00  0.00           H  
HETATM   79  H   UNL     1       9.332  -2.707  -0.545  1.00  0.00           H  
HETATM   80  H   UNL     1      10.127  -1.408   1.421  1.00  0.00           H  
HETATM   81  H   UNL     1       9.534   1.420   1.142  1.00  0.00           H  
HETATM   82  H   UNL     1      11.166   0.656  -0.573  1.00  0.00           H  
HETATM   83  H   UNL     1      11.759  -2.172  -0.293  1.00  0.00           H  
HETATM   84  H   UNL     1      12.133   0.806   1.741  1.00  0.00           H  
HETATM   85  H   UNL     1      12.615  -0.903   1.614  1.00  0.00           H  
HETATM   86  H   UNL     1       8.738   0.122  -0.825  1.00  0.00           H  
HETATM   87  H   UNL     1      15.728  -1.327   1.209  1.00  0.00           H  
HETATM   88  H   UNL     1       3.386  -2.620   1.795  1.00  0.00           H  
HETATM   89  H   UNL     1       4.992  -0.684   0.965  1.00  0.00           H  
HETATM   90  H   UNL     1       4.546  -1.744  -1.832  1.00  0.00           H  
HETATM   91  H   UNL     1       3.970   0.498  -1.161  1.00  0.00           H  
HETATM   92  H   UNL     1       3.147  -3.435  -1.107  1.00  0.00           H  
HETATM   93  H   UNL     1       2.637  -4.909   0.988  1.00  0.00           H  
HETATM   94  H   UNL     1       4.253  -5.127   0.275  1.00  0.00           H  
HETATM   95  H   UNL     1       4.133  -6.009   2.492  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.067  -1.674  -0.419  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.886  -0.514  -1.757  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.050   1.094  -1.610  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.471  -1.309  -1.888  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.777  -2.774   0.600  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.963  -1.079   0.756  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.657   0.385  -1.732  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.365  -3.066  -0.661  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.012  -1.957  -2.007  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.356  -0.371   0.879  1.00  0.00           H  
HETATM  106  H   UNL     1       0.220  -4.316   0.677  1.00  0.00           H  
HETATM  107  H   UNL     1     -11.264  -0.355  -1.972  1.00  0.00           H  
HETATM  108  H   UNL     1      -9.392  -1.006  -0.215  1.00  0.00           H  
HETATM  109  H   UNL     1      -9.476   1.880   0.687  1.00  0.00           H  
HETATM  110  H   UNL     1      -9.960   0.025   2.148  1.00  0.00           H  
HETATM  111  H   UNL     1     -11.109   2.447  -0.847  1.00  0.00           H  
HETATM  112  H   UNL     1     -12.062   1.737  -3.172  1.00  0.00           H  
HETATM  113  H   UNL     1     -10.377   2.310  -3.180  1.00  0.00           H  
HETATM  114  H   UNL     1     -10.919   1.113  -5.175  1.00  0.00           H  
HETATM  115  H   UNL     1     -22.988   0.129   1.566  1.00  0.00           H  
HETATM  116  H   UNL     1     -21.312   1.262   0.297  1.00  0.00           H  
HETATM  117  H   UNL     1     -21.178   1.614   2.036  1.00  0.00           H  
HETATM  118  H   UNL     1     -19.417   0.463   3.283  1.00  0.00           H  
HETATM  119  H   UNL     1     -18.729   2.126   1.566  1.00  0.00           H  
HETATM  120  H   UNL     1     -18.978   1.050  -1.118  1.00  0.00           H  
HETATM  121  H   UNL     1     -17.244  -0.159   0.192  1.00  0.00           H  
HETATM  122  H   UNL     1     -16.994   0.917   2.877  1.00  0.00           H  
HETATM  123  H   UNL     1     -16.550   2.154  -0.503  1.00  0.00           H  
HETATM  124  H   UNL     1     -16.243   2.538   1.208  1.00  0.00           H  
HETATM  125  H   UNL     1     -19.667  -0.613   0.599  1.00  0.00           H  
HETATM  126  H   UNL     1     -13.166   2.708   1.947  1.00  0.00           H  
CONECT    1    2    9    7   68                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    5   69                                       
CONECT    4    3   70                                                 
CONECT    5    3    6    7   71                                       
CONECT    6    5   72                                                 
CONECT    7    1    5    8   73                                       
CONECT    8    7   21                                                 
CONECT    9    1   10   74   75                                       
CONECT   10    9   76                                                 
CONECT   11   12   26                                                 
CONECT   12   19   11   78   77                                       
CONECT   13   19   79                                                 
CONECT   14   19   16   15   80                                       
CONECT   15   14   81                                                 
CONECT   16   18   17   14   82                                       
CONECT   17   16   83                                                 
CONECT   18   20   16   84   85                                       
CONECT   19   13   14   12   86                                       
CONECT   20   21   18                                                 
CONECT   21    8   23   23   20                                       
CONECT   21   22                                                      
CONECT   22   21   87                                                 
CONECT   23   21   21                                                 
CONECT   24   31   25   29   88                                       
CONECT   25   24   26                                                 
CONECT   26   11   25   27   89                                       
CONECT   27   26   29   28   90                                       
CONECT   28   27   91                                                 
CONECT   29   24   27   30   92                                       
CONECT   30   29   43                                                 
CONECT   31   32   24   93   94                                       
CONECT   32   31   95                                                 
CONECT   33   34   48                                                 
CONECT   34   33   41   97   96                                       
CONECT   35   41   98                                                 
CONECT   36   38   41   37   99                                       
CONECT   37   36  100                                                 
CONECT   38   39   40   36  101                                       
CONECT   39   38  102                                                 
CONECT   40   42   38  103  104                                       
CONECT   41   34   36   35  105                                       
CONECT   42   43   40                                                 
CONECT   43   45   45   30   42                                       
CONECT   43   44                                                      
CONECT   44   43  106                                                 
CONECT   45   43   43                                                 
CONECT   46   53   47   51  107                                       
CONECT   47   46   48                                                 
CONECT   48   47   33   49  108                                       
CONECT   49   48   51   50  109                                       
CONECT   50   49  110                                                 
CONECT   51   46   52   49  111                                       
CONECT   52   51   65                                                 
CONECT   53   54   46  112  113                                       
CONECT   54   53  114                                                 
CONECT   55   56  115                                                 
CONECT   56   55   63  117  116                                       
CONECT   57   63  118                                                 
CONECT   58   59   63   60  119                                       
CONECT   59   58  120                                                 
CONECT   60   62   58   61  121                                       
CONECT   61   60  122                                                 
CONECT   62   64   60  123  124                                       
CONECT   63   56   58   57  125                                       
CONECT   64   65   62                                                 
CONECT   65   52   67   67   66                                       
CONECT   65   64                                                      
CONECT   66   65  126                                                 
CONECT   67   65   65                                                 
CONECT   68    1                                                      
CONECT   69    3                                                      
CONECT   70    4                                                      
CONECT   71    5                                                      
CONECT   72    6                                                      
CONECT   73    7                                                      
CONECT   74    9                                                      
CONECT   75    9                                                      
CONECT   76   10                                                      
CONECT   77   12                                                      
CONECT   78   12                                                      
CONECT   79   13                                                      
CONECT   80   14                                                      
CONECT   81   15                                                      
CONECT   82   16                                                      
CONECT   83   17                                                      
CONECT   84   18                                                      
CONECT   85   18                                                      
CONECT   86   19                                                      
CONECT   87   22                                                      
CONECT   88   24                                                      
CONECT   89   26                                                      
CONECT   90   27                                                      
CONECT   91   28                                                      
CONECT   92   29                                                      
CONECT   93   31                                                      
CONECT   94   31                                                      
CONECT   95   32                                                      
CONECT   96   34                                                      
CONECT   97   34                                                      
CONECT   98   35                                                      
CONECT   99   36                                                      
CONECT  100   37                                                      
CONECT  101   38                                                      
CONECT  102   39                                                      
CONECT  103   40                                                      
CONECT  104   40                                                      
CONECT  105   41                                                      
CONECT  106   44                                                      
CONECT  107   46                                                      
CONECT  108   48                                                      
CONECT  109   49                                                      
CONECT  110   50                                                      
CONECT  111   51                                                      
CONECT  112   53                                                      
CONECT  113   53                                                      
CONECT  114   54                                                      
CONECT  115   55                                                      
CONECT  116   56                                                      
CONECT  117   56                                                      
CONECT  118   57                                                      
CONECT  119   58                                                      
CONECT  120   59                                                      
CONECT  121   60                                                      
CONECT  122   61                                                      
CONECT  123   62                                                      
CONECT  124   62                                                      
CONECT  125   63                                                      
CONECT  126   66                                                      
MASTER        0    0    0    0    0    0    0    0  126    0  126    0
END
