COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      20.864  -1.651  17.741  1.00  0.00           C  
HETATM    2  C   UNL     1      21.764  -0.539  17.215  1.00  0.00           C  
HETATM    3  C   UNL     1      20.986   0.767  17.214  1.00  0.00           C  
HETATM    4  C   UNL     1      19.578   0.690  16.631  1.00  0.00           C  
HETATM    5  C   UNL     1      18.810  -0.594  16.981  1.00  0.00           C  
HETATM    6  C   UNL     1      17.721  -0.858  15.935  1.00  0.00           C  
HETATM    7  O   UNL     1      22.933  -0.416  18.055  1.00  0.00           O  
HETATM    8  O   UNL     1      21.680   1.803  16.503  1.00  0.00           O  
HETATM    9  O   UNL     1      18.882   1.847  17.138  1.00  0.00           O  
HETATM   10  O   UNL     1      19.652  -1.755  16.985  1.00  0.00           O  
HETATM   11  O   UNL     1      16.466  -1.056  16.594  1.00  0.00           O  
HETATM   12  C   UNL     1      18.240   2.706  16.180  1.00  0.00           C  
HETATM   13  C   UNL     1      18.804   4.126  16.274  1.00  0.00           C  
HETATM   14  C   UNL     1      18.516   4.756  17.642  1.00  0.00           C  
HETATM   15  C   UNL     1      16.994   4.635  17.925  1.00  0.00           C  
HETATM   16  C   UNL     1      16.444   3.201  17.719  1.00  0.00           C  
HETATM   17  C   UNL     1      14.923   3.012  17.890  1.00  0.00           C  
HETATM   18  O   UNL     1      20.204   4.014  16.000  1.00  0.00           O  
HETATM   19  O   UNL     1      19.060   6.113  17.739  1.00  0.00           O  
HETATM   20  O   UNL     1      16.787   4.955  19.289  1.00  0.00           O  
HETATM   21  O   UNL     1      16.826   2.733  16.418  1.00  0.00           O  
HETATM   22  O   UNL     1      14.630   1.596  17.766  1.00  0.00           O  
HETATM   23  C   UNL     1      15.932   6.069  19.527  1.00  0.00           C  
HETATM   24  C   UNL     1      16.735   6.951  20.460  1.00  0.00           C  
HETATM   25  C   UNL     1      17.076   6.222  21.766  1.00  0.00           C  
HETATM   26  C   UNL     1      15.842   5.577  22.389  1.00  0.00           C  
HETATM   27  C   UNL     1      14.979   4.810  21.365  1.00  0.00           C  
HETATM   28  C   UNL     1      13.607   4.405  21.910  1.00  0.00           C  
HETATM   29  O   UNL     1      18.002   7.283  19.836  1.00  0.00           O  
HETATM   30  O   UNL     1      17.725   7.166  22.665  1.00  0.00           O  
HETATM   31  O   UNL     1      16.348   4.655  23.354  1.00  0.00           O  
HETATM   32  O   UNL     1      14.752   5.558  20.148  1.00  0.00           O  
HETATM   33  O   UNL     1      12.872   5.550  22.374  1.00  0.00           O  
HETATM   34  C   UNL     1      15.880   4.732  24.714  1.00  0.00           C  
HETATM   35  C   UNL     1      17.071   4.504  25.650  1.00  0.00           C  
HETATM   36  C   UNL     1      17.650   3.109  25.448  1.00  0.00           C  
HETATM   37  C   UNL     1      16.549   2.054  25.538  1.00  0.00           C  
HETATM   38  C   UNL     1      15.391   2.390  24.603  1.00  0.00           C  
HETATM   39  C   UNL     1      14.274   1.348  24.715  1.00  0.00           C  
HETATM   40  O   UNL     1      18.139   5.449  25.426  1.00  0.00           O  
HETATM   41  O   UNL     1      18.674   2.853  26.423  1.00  0.00           O  
HETATM   42  O   UNL     1      17.101   0.817  25.123  1.00  0.00           O  
HETATM   43  O   UNL     1      14.899   3.703  24.933  1.00  0.00           O  
HETATM   44  O   UNL     1      13.911   1.232  26.089  1.00  0.00           O  
HETATM   45  C   UNL     1      17.025  -0.283  26.038  1.00  0.00           C  
HETATM   46  C   UNL     1      18.421  -0.617  26.542  1.00  0.00           C  
HETATM   47  C   UNL     1      19.334  -1.003  25.381  1.00  0.00           C  
HETATM   48  C   UNL     1      18.702  -2.010  24.407  1.00  0.00           C  
HETATM   49  C   UNL     1      17.222  -1.757  24.132  1.00  0.00           C  
HETATM   50  C   UNL     1      16.598  -2.994  23.481  1.00  0.00           C  
HETATM   51  O   UNL     1      18.965   0.500  27.266  1.00  0.00           O  
HETATM   52  O   UNL     1      20.541  -1.565  25.913  1.00  0.00           O  
HETATM   53  O   UNL     1      19.402  -1.911  23.151  1.00  0.00           O  
HETATM   54  O   UNL     1      16.505  -1.422  25.333  1.00  0.00           O  
HETATM   55  O   UNL     1      15.794  -2.595  22.362  1.00  0.00           O  
HETATM   56  C   UNL     1      20.274  -3.015  22.852  1.00  0.00           C  
HETATM   57  C   UNL     1      21.704  -2.549  22.539  1.00  0.00           C  
HETATM   58  C   UNL     1      21.906  -2.045  21.097  1.00  0.00           C  
HETATM   59  C   UNL     1      20.878  -2.465  20.025  1.00  0.00           C  
HETATM   60  C   UNL     1      19.550  -3.020  20.555  1.00  0.00           C  
HETATM   61  C   UNL     1      18.895  -3.936  19.517  1.00  0.00           C  
HETATM   62  O   UNL     1      22.154  -1.548  23.481  1.00  0.00           O  
HETATM   63  O   UNL     1      23.178  -2.601  20.707  1.00  0.00           O  
HETATM   64  O   UNL     1      20.573  -1.380  19.121  1.00  0.00           O  
HETATM   65  O   UNL     1      19.745  -3.779  21.759  1.00  0.00           O  
HETATM   66  O   UNL     1      17.535  -3.537  19.295  1.00  0.00           O  
HETATM   67  H   UNL     1      21.418  -2.599  17.669  1.00  0.00           H  
HETATM   68  H   UNL     1      22.064  -0.779  16.184  1.00  0.00           H  
HETATM   69  H   UNL     1      20.883   1.082  18.263  1.00  0.00           H  
HETATM   70  H   UNL     1      19.653   0.758  15.536  1.00  0.00           H  
HETATM   71  H   UNL     1      18.335  -0.466  17.965  1.00  0.00           H  
HETATM   72  H   UNL     1      17.978  -1.758  15.357  1.00  0.00           H  
HETATM   73  H   UNL     1      17.647   0.005  15.257  1.00  0.00           H  
HETATM   74  H   UNL     1      23.414  -1.235  18.051  1.00  0.00           H  
HETATM   75  H   UNL     1      22.565   1.881  16.840  1.00  0.00           H  
HETATM   76  H   UNL     1      15.790  -1.220  15.947  1.00  0.00           H  
HETATM   77  H   UNL     1      18.432   2.328  15.165  1.00  0.00           H  
HETATM   78  H   UNL     1      18.323   4.742  15.500  1.00  0.00           H  
HETATM   79  H   UNL     1      19.027   4.136  18.393  1.00  0.00           H  
HETATM   80  H   UNL     1      16.449   5.329  17.269  1.00  0.00           H  
HETATM   81  H   UNL     1      16.932   2.563  18.470  1.00  0.00           H  
HETATM   82  H   UNL     1      14.611   3.372  18.882  1.00  0.00           H  
HETATM   83  H   UNL     1      14.387   3.574  17.111  1.00  0.00           H  
HETATM   84  H   UNL     1      20.606   4.874  16.046  1.00  0.00           H  
HETATM   85  H   UNL     1      18.864   6.473  18.596  1.00  0.00           H  
HETATM   86  H   UNL     1      13.696   1.455  17.868  1.00  0.00           H  
HETATM   87  H   UNL     1      15.699   6.609  18.597  1.00  0.00           H  
HETATM   88  H   UNL     1      16.166   7.864  20.689  1.00  0.00           H  
HETATM   89  H   UNL     1      17.789   5.420  21.524  1.00  0.00           H  
HETATM   90  H   UNL     1      15.228   6.352  22.872  1.00  0.00           H  
HETATM   91  H   UNL     1      15.518   3.886  21.111  1.00  0.00           H  
HETATM   92  H   UNL     1      13.035   3.912  21.110  1.00  0.00           H  
HETATM   93  H   UNL     1      13.746   3.705  22.747  1.00  0.00           H  
HETATM   94  H   UNL     1      18.508   7.836  20.420  1.00  0.00           H  
HETATM   95  H   UNL     1      17.943   6.729  23.480  1.00  0.00           H  
HETATM   96  H   UNL     1      12.027   5.271  22.706  1.00  0.00           H  
HETATM   97  H   UNL     1      15.448   5.723  24.915  1.00  0.00           H  
HETATM   98  H   UNL     1      16.717   4.588  26.688  1.00  0.00           H  
HETATM   99  H   UNL     1      18.088   3.062  24.440  1.00  0.00           H  
HETATM  100  H   UNL     1      16.181   1.995  26.573  1.00  0.00           H  
HETATM  101  H   UNL     1      15.766   2.386  23.569  1.00  0.00           H  
HETATM  102  H   UNL     1      13.403   1.671  24.125  1.00  0.00           H  
HETATM  103  H   UNL     1      14.631   0.377  24.341  1.00  0.00           H  
HETATM  104  H   UNL     1      18.853   5.269  26.027  1.00  0.00           H  
HETATM  105  H   UNL     1      19.350   3.517  26.354  1.00  0.00           H  
HETATM  106  H   UNL     1      13.218   0.589  26.181  1.00  0.00           H  
HETATM  107  H   UNL     1      16.380  -0.031  26.893  1.00  0.00           H  
HETATM  108  H   UNL     1      18.343  -1.482  27.217  1.00  0.00           H  
HETATM  109  H   UNL     1      19.575  -0.090  24.817  1.00  0.00           H  
HETATM  110  H   UNL     1      18.817  -3.022  24.823  1.00  0.00           H  
HETATM  111  H   UNL     1      17.145  -0.922  23.420  1.00  0.00           H  
HETATM  112  H   UNL     1      15.969  -3.516  24.216  1.00  0.00           H  
HETATM  113  H   UNL     1      17.396  -3.668  23.137  1.00  0.00           H  
HETATM  114  H   UNL     1      18.385   0.726  27.983  1.00  0.00           H  
HETATM  115  H   UNL     1      20.939  -0.949  26.517  1.00  0.00           H  
HETATM  116  H   UNL     1      15.408  -3.364  21.959  1.00  0.00           H  
HETATM  117  H   UNL     1      20.329  -3.665  23.738  1.00  0.00           H  
HETATM  118  H   UNL     1      22.353  -3.430  22.655  1.00  0.00           H  
HETATM  119  H   UNL     1      21.966  -0.947  21.114  1.00  0.00           H  
HETATM  120  H   UNL     1      21.346  -3.270  19.439  1.00  0.00           H  
HETATM  121  H   UNL     1      18.873  -2.176  20.753  1.00  0.00           H  
HETATM  122  H   UNL     1      18.915  -4.973  19.883  1.00  0.00           H  
HETATM  123  H   UNL     1      19.452  -3.871  18.571  1.00  0.00           H  
HETATM  124  H   UNL     1      22.026  -1.866  24.367  1.00  0.00           H  
HETATM  125  H   UNL     1      23.838  -2.362  21.347  1.00  0.00           H  
HETATM  126  H   UNL     1      17.138  -4.110  18.650  1.00  0.00           H  
CONECT    1   10    2   64   67                                       
CONECT    2    3    1    7   68                                       
CONECT    3    8    4    2   69                                       
CONECT    4    5    9    3   70                                       
CONECT    5    6    4   10   71                                       
CONECT    6   11    5   72   73                                       
CONECT    7    2   74                                                 
CONECT    8    3   75                                                 
CONECT    9   12    4                                                 
CONECT   10    5    1                                                 
CONECT   11    6   76                                                 
CONECT   12   13   21    9   77                                       
CONECT   13   18   12   14   78                                       
CONECT   14   13   19   15   79                                       
CONECT   15   14   16   20   80                                       
CONECT   16   21   17   15   81                                       
CONECT   17   16   22   82   83                                       
CONECT   18   13   84                                                 
CONECT   19   14   85                                                 
CONECT   20   15   23                                                 
CONECT   21   12   16                                                 
CONECT   22   17   86                                                 
CONECT   23   20   32   24   87                                       
CONECT   24   23   29   25   88                                       
CONECT   25   24   26   30   89                                       
CONECT   26   27   25   31   90                                       
CONECT   27   32   28   26   91                                       
CONECT   28   27   33   92   93                                       
CONECT   29   24   94                                                 
CONECT   30   25   95                                                 
CONECT   31   26   34                                                 
CONECT   32   23   27                                                 
CONECT   33   28   96                                                 
CONECT   34   31   43   35   97                                       
CONECT   35   34   40   36   98                                       
CONECT   36   37   35   41   99                                       
CONECT   37   38   42   36  100                                       
CONECT   38   39   43   37  101                                       
CONECT   39   38   44  102  103                                       
CONECT   40   35  104                                                 
CONECT   41   36  105                                                 
CONECT   42   37   45                                                 
CONECT   43   38   34                                                 
CONECT   44   39  106                                                 
CONECT   45   42   54   46  107                                       
CONECT   46   47   45   51  108                                       
CONECT   47   48   52   46  109                                       
CONECT   48   53   49   47  110                                       
CONECT   49   50   48   54  111                                       
CONECT   50   55   49  112  113                                       
CONECT   51   46  114                                                 
CONECT   52   47  115                                                 
CONECT   53   56   48                                                 
CONECT   54   49   45                                                 
CONECT   55   50  116                                                 
CONECT   56   65   57   53  117                                       
CONECT   57   58   56   62  118                                       
CONECT   58   59   63   57  119                                       
CONECT   59   64   60   58  120                                       
CONECT   60   61   59   65  121                                       
CONECT   61   66   60  122  123                                       
CONECT   62   57  124                                                 
CONECT   63   58  125                                                 
CONECT   64    1   59                                                 
CONECT   65   60   56                                                 
CONECT   66   61  126                                                 
CONECT   67    1                                                      
CONECT   68    2                                                      
CONECT   69    3                                                      
CONECT   70    4                                                      
CONECT   71    5                                                      
CONECT   72    6                                                      
CONECT   73    6                                                      
CONECT   74    7                                                      
CONECT   75    8                                                      
CONECT   76   11                                                      
CONECT   77   12                                                      
CONECT   78   13                                                      
CONECT   79   14                                                      
CONECT   80   15                                                      
CONECT   81   16                                                      
CONECT   82   17                                                      
CONECT   83   17                                                      
CONECT   84   18                                                      
CONECT   85   19                                                      
CONECT   86   22                                                      
CONECT   87   23                                                      
CONECT   88   24                                                      
CONECT   89   25                                                      
CONECT   90   26                                                      
CONECT   91   27                                                      
CONECT   92   28                                                      
CONECT   93   28                                                      
CONECT   94   29                                                      
CONECT   95   30                                                      
CONECT   96   33                                                      
CONECT   97   34                                                      
CONECT   98   35                                                      
CONECT   99   36                                                      
CONECT  100   37                                                      
CONECT  101   38                                                      
CONECT  102   39                                                      
CONECT  103   39                                                      
CONECT  104   40                                                      
CONECT  105   41                                                      
CONECT  106   44                                                      
CONECT  107   45                                                      
CONECT  108   46                                                      
CONECT  109   47                                                      
CONECT  110   48                                                      
CONECT  111   49                                                      
CONECT  112   50                                                      
CONECT  113   50                                                      
CONECT  114   51                                                      
CONECT  115   52                                                      
CONECT  116   55                                                      
CONECT  117   56                                                      
CONECT  118   57                                                      
CONECT  119   58                                                      
CONECT  120   59                                                      
CONECT  121   60                                                      
CONECT  122   61                                                      
CONECT  123   61                                                      
CONECT  124   62                                                      
CONECT  125   63                                                      
CONECT  126   66                                                      
MASTER        0    0    0    0    0    0    0    0  126    0  126    0
END
