COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.382  -1.706   1.224  1.00  0.00           C  
HETATM    2  C   UNL     1     -10.664  -1.636   0.390  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.973  -1.475   1.124  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.842  -0.994   0.252  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.717   1.643  -0.713  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.109   3.840  -1.748  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.587   5.913  -0.649  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.190  -0.998   0.422  1.00  0.00           C  
HETATM    9  C   UNL     1       0.455  -2.637  -0.273  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.477  -4.951  -0.408  1.00  0.00           C  
HETATM   11  C   UNL     1       1.363  -0.334  -0.125  1.00  0.00           C  
HETATM   12  O   UNL     1     -10.587  -2.589  -0.673  1.00  0.00           O  
HETATM   13  C   UNL     1      -9.469  -2.392  -1.543  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.175  -2.469  -0.729  1.00  0.00           C  
HETATM   15  N   UNL     1      -8.222  -1.473   0.352  1.00  0.00           N  
HETATM   16  O   UNL     1      -6.056  -0.681  -0.900  1.00  0.00           O  
HETATM   17  N   UNL     1      -4.593  -0.913   0.752  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.493  -0.446  -0.096  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.445   1.083  -0.072  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.669   3.150  -0.689  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.065   5.221  -1.727  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.142   5.222   0.412  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.186   3.841   0.390  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.181  -1.711   1.403  1.00  0.00           O  
HETATM   25  N   UNL     1      -1.035  -0.699  -0.205  1.00  0.00           N  
HETATM   26  C   UNL     1       0.232  -1.235   0.299  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.625  -3.582   0.259  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.470  -3.733   1.773  1.00  0.00           C  
HETATM   29  O   UNL     1       1.133   0.659  -0.783  1.00  0.00           O  
HETATM   30  N   UNL     1       2.629  -0.631   0.227  1.00  0.00           N  
HETATM   31  C   UNL     1       3.729   0.245  -0.185  1.00  0.00           C  
HETATM   32  C   UNL     1       3.873   1.389   0.820  1.00  0.00           C  
HETATM   33  C   UNL     1       2.639   2.253   0.780  1.00  0.00           C  
HETATM   34  C   UNL     1       2.574   3.326  -0.090  1.00  0.00           C  
HETATM   35  C   UNL     1       1.442   4.118  -0.127  1.00  0.00           C  
HETATM   36  C   UNL     1       0.374   3.837   0.705  1.00  0.00           C  
HETATM   37  C   UNL     1       0.438   2.763   1.574  1.00  0.00           C  
HETATM   38  C   UNL     1       1.569   1.968   1.607  1.00  0.00           C  
HETATM   39  C   UNL     1       5.010  -0.546  -0.233  1.00  0.00           C  
HETATM   40  O   UNL     1       5.006  -1.726   0.049  1.00  0.00           O  
HETATM   41  N   UNL     1       6.162   0.057  -0.590  1.00  0.00           N  
HETATM   42  C   UNL     1       7.423  -0.686  -0.542  1.00  0.00           C  
HETATM   43  C   UNL     1       8.160  -0.527  -1.874  1.00  0.00           C  
HETATM   44  C   UNL     1       7.351  -1.197  -2.987  1.00  0.00           C  
HETATM   45  C   UNL     1       8.023  -0.932  -4.335  1.00  0.00           C  
HETATM   46  C   UNL     1       7.291  -2.705  -2.735  1.00  0.00           C  
HETATM   47  C   UNL     1       8.295  -0.140   0.591  1.00  0.00           C  
HETATM   48  O   UNL     1       8.517   1.258   0.389  1.00  0.00           O  
HETATM   49  C   UNL     1       7.360  -1.852   2.152  1.00  0.00           C  
HETATM   50  C   UNL     1       7.585  -0.355   1.929  1.00  0.00           C  
HETATM   51  C   UNL     1       8.450   0.205   3.060  1.00  0.00           C  
HETATM   52  O   UNL     1       6.325   0.319   1.914  1.00  0.00           O  
HETATM   53  H   UNL     1      -9.412  -0.942   2.002  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.300  -2.690   1.685  1.00  0.00           H  
HETATM   55  H   UNL     1     -11.522  -1.865   1.022  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.774  -0.635  -0.025  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.761  -2.487   1.470  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.076  -0.812   1.984  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.786   1.298  -1.744  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.587   1.299  -0.155  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.701   3.300  -2.590  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.552   6.992  -0.632  1.00  0.00           H  
HETATM   63  H   UNL     1       0.401  -2.599  -1.361  1.00  0.00           H  
HETATM   64  H   UNL     1       1.437  -3.000   0.030  1.00  0.00           H  
HETATM   65  H   UNL     1       0.508  -5.361  -0.182  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.246  -5.625  -0.030  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.587  -4.844  -1.487  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.463  -3.167  -2.310  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.544  -1.413  -2.016  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.074  -3.466  -0.300  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.324  -2.263  -1.377  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.422  -1.163   1.673  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.652  -0.789  -1.118  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.575   1.428  -0.630  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.375   1.429   0.959  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.623   5.760  -2.551  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.550   5.762   1.253  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.624   3.302   1.217  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.043  -0.128  -0.989  1.00  0.00           H  
HETATM   80  H   UNL     1       0.197  -1.288   1.387  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.609  -3.173   0.033  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.575  -2.758   2.248  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.239  -4.406   2.152  1.00  0.00           H  
HETATM   84  H   UNL     1       0.515  -4.142   1.999  1.00  0.00           H  
HETATM   85  H   UNL     1       2.813  -1.425   0.753  1.00  0.00           H  
HETATM   86  H   UNL     1       3.517   0.654  -1.173  1.00  0.00           H  
HETATM   87  H   UNL     1       3.997   0.979   1.822  1.00  0.00           H  
HETATM   88  H   UNL     1       4.746   1.990   0.564  1.00  0.00           H  
HETATM   89  H   UNL     1       3.408   3.545  -0.740  1.00  0.00           H  
HETATM   90  H   UNL     1       1.391   4.956  -0.806  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.510   4.456   0.677  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.396   2.544   2.224  1.00  0.00           H  
HETATM   93  H   UNL     1       1.617   1.128   2.283  1.00  0.00           H  
HETATM   94  H   UNL     1       6.155   0.983  -0.878  1.00  0.00           H  
HETATM   95  H   UNL     1       7.217  -1.742  -0.365  1.00  0.00           H  
HETATM   96  H   UNL     1       8.278   0.533  -2.099  1.00  0.00           H  
HETATM   97  H   UNL     1       9.141  -0.996  -1.805  1.00  0.00           H  
HETATM   98  H   UNL     1       6.340  -0.790  -2.998  1.00  0.00           H  
HETATM   99  H   UNL     1       9.034  -1.339  -4.325  1.00  0.00           H  
HETATM  100  H   UNL     1       7.447  -1.410  -5.128  1.00  0.00           H  
HETATM  101  H   UNL     1       8.066   0.142  -4.515  1.00  0.00           H  
HETATM  102  H   UNL     1       8.302  -3.113  -2.724  1.00  0.00           H  
HETATM  103  H   UNL     1       6.812  -2.895  -1.774  1.00  0.00           H  
HETATM  104  H   UNL     1       6.715  -3.183  -3.528  1.00  0.00           H  
HETATM  105  H   UNL     1       9.251  -0.663   0.598  1.00  0.00           H  
HETATM  106  H   UNL     1       8.964   1.469  -0.442  1.00  0.00           H  
HETATM  107  H   UNL     1       8.322  -2.360   2.204  1.00  0.00           H  
HETATM  108  H   UNL     1       6.818  -2.003   3.086  1.00  0.00           H  
HETATM  109  H   UNL     1       6.778  -2.259   1.325  1.00  0.00           H  
HETATM  110  H   UNL     1       8.610   1.271   2.902  1.00  0.00           H  
HETATM  111  H   UNL     1       7.944   0.051   4.014  1.00  0.00           H  
HETATM  112  H   UNL     1       9.410  -0.310   3.072  1.00  0.00           H  
HETATM  113  H   UNL     1       6.388   1.266   1.725  1.00  0.00           H  
CONECT    1    2   15   53   54                                       
CONECT    2   12    1   55   56                                       
CONECT    3   15    4   57   58                                       
CONECT    4    3   16   16   17                                       
CONECT    5   19   20   59   60                                       
CONECT    6   20   21   21   61                                       
CONECT    7   22   22   21   62                                       
CONECT    8   18   24   24   25                                       
CONECT    9   27   26   63   64                                       
CONECT   10   27   65   66   67                                       
CONECT   11   26   29   29   30                                       
CONECT   12    2   13                                                 
CONECT   13   12   14   68   69                                       
CONECT   14   13   15   70   71                                       
CONECT   15    1   14    3                                            
CONECT   16    4    4                                                 
CONECT   17    4   18   72                                            
CONECT   18   17    8   19   73                                       
CONECT   19   18    5   74   75                                       
CONECT   20    5   23   23    6                                       
CONECT   21    6    6    7   76                                       
CONECT   22   23    7    7   77                                       
CONECT   23   20   20   22   78                                       
CONECT   24    8    8                                                 
CONECT   25    8   26   79                                            
CONECT   26   25    9   11   80                                       
CONECT   27   28   10    9   81                                       
CONECT   28   27   82   83   84                                       
CONECT   29   11   11                                                 
CONECT   30   11   31   85                                            
CONECT   31   30   32   39   86                                       
CONECT   32   33   31   87   88                                       
CONECT   33   34   32   38   38                                       
CONECT   34   35   35   33   89                                       
CONECT   35   34   34   36   90                                       
CONECT   36   35   37   37   91                                       
CONECT   37   36   36   38   92                                       
CONECT   38   33   33   37   93                                       
CONECT   39   31   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   42   94                                            
CONECT   42   41   43   47   95                                       
CONECT   43   44   42   96   97                                       
CONECT   44   46   45   43   98                                       
CONECT   45   44   99  100  101                                       
CONECT   46   44  102  103  104                                       
CONECT   47   42   50   48  105                                       
CONECT   48   47  106                                                 
CONECT   49   50  107  108  109                                       
CONECT   50   51   52   47   49                                       
CONECT   51   50  110  111  112                                       
CONECT   52   50  113                                                 
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    2                                                      
CONECT   56    2                                                      
CONECT   57    3                                                      
CONECT   58    3                                                      
CONECT   59    5                                                      
CONECT   60    5                                                      
CONECT   61    6                                                      
CONECT   62    7                                                      
CONECT   63    9                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   10                                                      
CONECT   67   10                                                      
CONECT   68   13                                                      
CONECT   69   13                                                      
CONECT   70   14                                                      
CONECT   71   14                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   19                                                      
CONECT   75   19                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   23                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   32                                                      
CONECT   89   34                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   37                                                      
CONECT   93   38                                                      
CONECT   94   41                                                      
CONECT   95   42                                                      
CONECT   96   43                                                      
CONECT   97   43                                                      
CONECT   98   44                                                      
CONECT   99   45                                                      
CONECT  100   45                                                      
CONECT  101   45                                                      
CONECT  102   46                                                      
CONECT  103   46                                                      
CONECT  104   46                                                      
CONECT  105   47                                                      
CONECT  106   48                                                      
CONECT  107   49                                                      
CONECT  108   49                                                      
CONECT  109   49                                                      
CONECT  110   51                                                      
CONECT  111   51                                                      
CONECT  112   51                                                      
CONECT  113   52                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
