COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.744  -3.087  51.247  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.067   0.337  52.430  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.331  -1.868  51.848  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.800  -0.087  51.708  1.00  0.00           C  
HETATM    5  O   UNL     1       4.501  -3.229  51.685  1.00  0.00           O  
HETATM    6  O   UNL     1       4.442  -5.374  51.374  1.00  0.00           O  
HETATM    7  C   UNL     1       3.872  -4.274  51.419  1.00  0.00           C  
HETATM    8  C   UNL     1       2.427  -4.242  51.130  1.00  0.00           C  
HETATM    9  C   UNL     1       1.798  -5.536  50.695  1.00  0.00           C  
HETATM   10  C   UNL     1       0.342  -5.371  50.253  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.434  -4.348  51.069  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.449  -4.825  52.544  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.773  -4.590  53.298  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.544  -4.450  54.812  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.760  -5.713  53.058  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.198  -5.228  53.253  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.588  -6.375  51.697  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.646  -5.318  50.665  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.812  -4.407  50.378  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.161  -3.464  49.234  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.642  -3.412  48.869  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.450  -2.774  49.983  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.876  -2.413  49.602  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.455  -2.897  48.511  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.650  -1.488  50.517  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.730  -1.966  51.983  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.389  -3.326  52.154  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.634  -3.655  53.631  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.236  -2.466  54.384  1.00  0.00           C  
HETATM   30  O   UNL     1      -8.276  -2.764  55.780  1.00  0.00           O  
HETATM   31  C   UNL     1      -9.649  -2.163  53.860  1.00  0.00           C  
HETATM   32  O   UNL     1      -7.340  -0.956  52.776  1.00  0.00           O  
HETATM   33  C   UNL     1      -7.356  -1.267  54.179  1.00  0.00           C  
HETATM   34  O   UNL     1      -6.002  -1.489  54.638  1.00  0.00           O  
HETATM   35  C   UNL     1      -7.877  -0.009  54.884  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.627   0.721  55.301  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.457  -0.218  55.049  1.00  0.00           C  
HETATM   38  O   UNL     1      -4.624   0.289  54.010  1.00  0.00           O  
HETATM   39  C   UNL     1      -4.759  -0.387  56.366  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.520  -1.241  56.026  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.688  -0.675  54.848  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.528  -0.546  53.596  1.00  0.00           C  
HETATM   43  O   UNL     1      -1.682  -1.503  51.507  1.00  0.00           O  
HETATM   44  O   UNL     1      -0.662   0.290  52.452  1.00  0.00           O  
HETATM   45  C   UNL     1       0.379  -0.517  51.914  1.00  0.00           C  
HETATM   46  C   UNL     1       0.781   0.103  50.567  1.00  0.00           C  
HETATM   47  O   UNL     1       1.354   1.390  50.808  1.00  0.00           O  
HETATM   48  C   UNL     1      -0.426   0.263  49.627  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.173   1.260  48.492  1.00  0.00           C  
HETATM   50  C   UNL     1      -1.676   0.665  50.382  1.00  0.00           C  
HETATM   51  C   UNL     1       0.258  -2.960  50.934  1.00  0.00           C  
HETATM   52  H   UNL     1       2.276  -2.207  51.579  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.901   1.350  52.825  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.880   0.361  51.689  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.337  -2.277  52.869  1.00  0.00           H  
HETATM   56  H   UNL     1       5.416  -3.438  51.830  1.00  0.00           H  
HETATM   57  H   UNL     1       1.831  -6.243  51.537  1.00  0.00           H  
HETATM   58  H   UNL     1       2.377  -5.942  49.852  1.00  0.00           H  
HETATM   59  H   UNL     1       0.333  -5.054  49.200  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.162  -6.344  50.347  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.239  -5.905  52.554  1.00  0.00           H  
HETATM   62  H   UNL     1       0.348  -4.291  53.082  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.215  -3.653  52.930  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.508  -4.284  55.315  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.082  -5.370  55.199  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.878  -3.596  55.005  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.572  -6.483  53.821  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.295  -4.755  54.241  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.447  -4.496  52.470  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.886  -6.084  53.187  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.395  -7.103  51.531  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.616  -6.888  51.652  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.601  -3.786  48.343  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.844  -2.450  49.519  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.766  -2.821  47.950  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.008  -4.436  48.699  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.488  -3.479  50.827  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.935  -1.854  50.297  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.475  -2.631  48.278  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.906  -3.557  47.856  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.163  -0.502  50.502  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.675  -1.397  50.128  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.691  -2.078  52.327  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.353  -3.324  51.624  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.734  -4.096  51.721  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.328  -4.506  53.696  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.676  -3.926  54.099  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.649  -2.028  56.251  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.069  -1.308  54.409  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.598  -1.921  52.788  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.291  -3.044  54.007  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.477   0.605  54.196  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.485  -0.276  55.761  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.510   1.639  54.706  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.680   0.980  56.369  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.460   0.588  56.778  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.406  -0.907  57.087  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.857  -2.254  55.760  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.876  -1.291  56.916  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.845  -1.352  54.646  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.303   0.317  55.125  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.862  -1.530  53.236  1.00  0.00           H  
HETATM  103  H   UNL     1       1.249  -0.572  52.585  1.00  0.00           H  
HETATM  104  H   UNL     1       1.518  -0.554  50.083  1.00  0.00           H  
HETATM  105  H   UNL     1       2.101   1.301  51.388  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.616  -0.718  49.167  1.00  0.00           H  
HETATM  107  H   UNL     1       0.735   0.969  47.943  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.033   1.260  47.806  1.00  0.00           H  
HETATM  109  H   UNL     1      -0.040   2.268  48.912  1.00  0.00           H  
HETATM  110  H   UNL     1      -1.638   1.745  50.587  1.00  0.00           H  
HETATM  111  H   UNL     1      -2.556   0.441  49.761  1.00  0.00           H  
HETATM  112  H   UNL     1       0.151  -2.628  49.891  1.00  0.00           H  
CONECT    1   51    8    8   52                                       
CONECT    2    4   42   53   54                                       
CONECT    3   51   43   45   55                                       
CONECT    4   50   43    2   44                                       
CONECT    5    7   56                                                 
CONECT    6    7    7                                                 
CONECT    7    8    6    6    5                                       
CONECT    8    9    1    1    7                                       
CONECT    9   10    8   57   58                                       
CONECT   10    9   11   59   60                                       
CONECT   11   10   19   51   12                                       
CONECT   12   11   13   61   62                                       
CONECT   13   12   15   14   63                                       
CONECT   14   13   64   65   66                                       
CONECT   15   17   16   13   67                                       
CONECT   16   15   68   69   70                                       
CONECT   17   18   15   71   72                                       
CONECT   18   19   19   17                                            
CONECT   19   20   18   18   11                                       
CONECT   20   21   19   73   74                                       
CONECT   21   20   22   75   76                                       
CONECT   22   21   23   77   78                                       
CONECT   23   24   24   22   25                                       
CONECT   24   23   23   79   80                                       
CONECT   25   23   26   81   82                                       
CONECT   26   25   27   32   83                                       
CONECT   27   26   28   84   85                                       
CONECT   28   27   29   86   87                                       
CONECT   29   28   31   33   30                                       
CONECT   30   29   88                                                 
CONECT   31   29   89   90   91                                       
CONECT   32   26   33                                                 
CONECT   33   32   29   34   35                                       
CONECT   34   33   37                                                 
CONECT   35   33   36   92   93                                       
CONECT   36   35   37   94   95                                       
CONECT   37   38   34   36   39                                       
CONECT   38   42   37                                                 
CONECT   39   37   40   96   97                                       
CONECT   40   41   39   98   99                                       
CONECT   41   42   40  100  101                                       
CONECT   42    2   38   41  102                                       
CONECT   43    4    3                                                 
CONECT   44    4   45                                                 
CONECT   45   46    3   44  103                                       
CONECT   46   48   47   45  104                                       
CONECT   47   46  105                                                 
CONECT   48   49   50   46  106                                       
CONECT   49   48  107  108  109                                       
CONECT   50   48    4  110  111                                       
CONECT   51   11    1    3  112                                       
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    5                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   16                                                      
CONECT   71   17                                                      
CONECT   72   17                                                      
CONECT   73   20                                                      
CONECT   74   20                                                      
CONECT   75   21                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   22                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   25                                                      
CONECT   82   25                                                      
CONECT   83   26                                                      
CONECT   84   27                                                      
CONECT   85   27                                                      
CONECT   86   28                                                      
CONECT   87   28                                                      
CONECT   88   30                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   31                                                      
CONECT   92   35                                                      
CONECT   93   35                                                      
CONECT   94   36                                                      
CONECT   95   36                                                      
CONECT   96   39                                                      
CONECT   97   39                                                      
CONECT   98   40                                                      
CONECT   99   40                                                      
CONECT  100   41                                                      
CONECT  101   41                                                      
CONECT  102   42                                                      
CONECT  103   45                                                      
CONECT  104   46                                                      
CONECT  105   47                                                      
CONECT  106   48                                                      
CONECT  107   49                                                      
CONECT  108   49                                                      
CONECT  109   49                                                      
CONECT  110   50                                                      
CONECT  111   50                                                      
CONECT  112   51                                                      
MASTER        0    0    0    0    0    0    0    0  112    0  112    0
END
