COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.645  -5.369   0.245  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.327  -3.045  -0.124  1.00  0.00           C  
HETATM    3  O   UNL     1       8.529  -0.556   1.495  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.910  -2.215   1.673  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.493   2.572  -0.057  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.003  -1.163   1.557  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.341  -1.090   0.087  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.537   1.092   0.359  1.00  0.00           C  
HETATM    9  O   UNL     1       3.530  -3.022  -1.668  1.00  0.00           O  
HETATM   10  O   UNL     1      -6.492  -0.537   2.469  1.00  0.00           O  
HETATM   11  O   UNL     1      -5.335  -1.819  -0.640  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.765  -2.814   0.260  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.644  -4.062   0.161  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.475  -2.196   0.644  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.806  -4.463  -0.036  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.753  -4.965   1.414  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.450  -5.780   1.493  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.441  -4.458  -0.508  1.00  0.00           O  
HETATM   19  O   UNL     1       0.568  -4.753   0.666  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.342  -6.613  -0.588  1.00  0.00           C  
HETATM   21  C   UNL     1       0.642  -6.285  -1.708  1.00  0.00           C  
HETATM   22  C   UNL     1       0.959  -4.793  -1.727  1.00  0.00           C  
HETATM   23  C   UNL     1       1.466  -4.340  -0.360  1.00  0.00           C  
HETATM   24  C   UNL     1       1.588  -2.814  -0.346  1.00  0.00           C  
HETATM   25  C   UNL     1       1.347  -2.297   1.074  1.00  0.00           C  
HETATM   26  C   UNL     1       2.967  -2.401  -0.798  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.458   0.333  -0.420  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.589   3.395   0.627  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.598   2.623  -1.600  1.00  0.00           C  
HETATM   30  O   UNL     1      -6.168   3.068   0.229  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.318   2.432  -0.756  1.00  0.00           C  
HETATM   32  O   UNL     1      -5.219   1.045  -0.364  1.00  0.00           O  
HETATM   33  C   UNL     1      -6.130   2.487  -2.068  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.962   3.099  -0.874  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.631   3.865   0.300  1.00  0.00           O  
HETATM   36  C   UNL     1      -2.523   4.731  -0.098  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.558   5.993   0.743  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.762   5.081  -1.584  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.919   4.142  -2.006  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.256   3.905   0.056  1.00  0.00           C  
HETATM   41  C   UNL     1       0.005   4.687   0.370  1.00  0.00           C  
HETATM   42  C   UNL     1       0.195   4.867   1.882  1.00  0.00           C  
HETATM   43  C   UNL     1       1.215   3.997  -0.203  1.00  0.00           C  
HETATM   44  C   UNL     1       1.616   2.769   0.074  1.00  0.00           C  
HETATM   45  C   UNL     1       0.846   1.841   0.979  1.00  0.00           C  
HETATM   46  C   UNL     1       2.859   2.282  -0.561  1.00  0.00           C  
HETATM   47  C   UNL     1       3.480   1.181  -0.172  1.00  0.00           C  
HETATM   48  C   UNL     1       4.715   0.701  -0.903  1.00  0.00           C  
HETATM   49  O   UNL     1       5.887   1.244  -0.300  1.00  0.00           O  
HETATM   50  C   UNL     1       6.451   0.292   0.605  1.00  0.00           C  
HETATM   51  C   UNL     1       5.951  -1.101   0.195  1.00  0.00           C  
HETATM   52  C   UNL     1       4.790  -0.834  -0.782  1.00  0.00           C  
HETATM   53  O   UNL     1       3.548  -1.336  -0.229  1.00  0.00           O  
HETATM   54  C   UNL     1       7.978   0.340   0.528  1.00  0.00           C  
HETATM   55  O   UNL     1       8.399  -0.057  -0.779  1.00  0.00           O  
HETATM   56  C   UNL     1       9.795   0.167  -1.011  1.00  0.00           C  
HETATM   57  C   UNL     1      10.041   1.677  -1.059  1.00  0.00           C  
HETATM   58  C   UNL     1       9.370   2.336   0.115  1.00  0.00           C  
HETATM   59  C   UNL     1       9.777   3.737   0.492  1.00  0.00           C  
HETATM   60  C   UNL     1       8.448   1.737   0.818  1.00  0.00           C  
HETATM   61  O   UNL     1       7.891   2.408   1.857  1.00  0.00           O  
HETATM   62  H   UNL     1      -3.220  -2.727  -1.174  1.00  0.00           H  
HETATM   63  H   UNL     1       9.496  -0.579   1.504  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.993  -1.752   2.020  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.220  -2.992   2.377  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.300  -1.601  -0.080  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.354   1.017   1.428  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.518   0.679   0.121  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.254  -4.834   0.824  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.663  -3.812   0.454  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.640  -4.428  -0.866  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.555  -2.189   0.346  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.338  -5.169  -0.668  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.718  -4.129   2.111  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.608  -5.606   1.629  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.666  -6.846   1.464  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.896  -5.525   2.396  1.00  0.00           H  
HETATM   78  H   UNL     1       0.083  -7.386   0.054  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.271  -6.988  -1.025  1.00  0.00           H  
HETATM   80  H   UNL     1       1.566  -6.849  -1.557  1.00  0.00           H  
HETATM   81  H   UNL     1       0.205  -6.571  -2.669  1.00  0.00           H  
HETATM   82  H   UNL     1       1.732  -4.598  -2.477  1.00  0.00           H  
HETATM   83  H   UNL     1       0.068  -4.226  -1.994  1.00  0.00           H  
HETATM   84  H   UNL     1       2.449  -4.780  -0.177  1.00  0.00           H  
HETATM   85  H   UNL     1       0.845  -2.387  -1.020  1.00  0.00           H  
HETATM   86  H   UNL     1       2.088  -2.727   1.747  1.00  0.00           H  
HETATM   87  H   UNL     1       1.434  -1.211   1.084  1.00  0.00           H  
HETATM   88  H   UNL     1       0.348  -2.585   1.400  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.774   0.288  -1.474  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.528   4.430   0.292  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.566   2.986   0.368  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.453   3.354   1.708  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.194   1.789  -1.967  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.025   3.569  -1.929  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.000   1.568  -2.641  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.858   3.346  -2.677  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.181   2.357  -1.039  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.447   5.732   1.796  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.742   6.652   0.444  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.510   6.503   0.594  1.00  0.00           H  
HETATM  101  H   UNL     1      -3.075   6.126  -1.685  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.876   4.891  -2.183  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.703   3.676  -2.960  1.00  0.00           H  
HETATM  104  H   UNL     1      -4.848   4.706  -2.042  1.00  0.00           H  
HETATM  105  H   UNL     1      -1.438   3.190   0.873  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.105   3.322  -0.859  1.00  0.00           H  
HETATM  107  H   UNL     1      -0.051   5.686  -0.089  1.00  0.00           H  
HETATM  108  H   UNL     1       0.174   3.892   2.370  1.00  0.00           H  
HETATM  109  H   UNL     1       1.155   5.347   2.073  1.00  0.00           H  
HETATM  110  H   UNL     1      -0.607   5.489   2.278  1.00  0.00           H  
HETATM  111  H   UNL     1       1.828   4.567  -0.911  1.00  0.00           H  
HETATM  112  H   UNL     1       0.205   1.197   0.378  1.00  0.00           H  
HETATM  113  H   UNL     1       1.544   1.228   1.549  1.00  0.00           H  
HETATM  114  H   UNL     1       0.233   2.427   1.664  1.00  0.00           H  
HETATM  115  H   UNL     1       3.285   2.866  -1.372  1.00  0.00           H  
HETATM  116  H   UNL     1       3.151   0.609   0.685  1.00  0.00           H  
HETATM  117  H   UNL     1       4.653   0.985  -1.952  1.00  0.00           H  
HETATM  118  H   UNL     1       6.121   0.517   1.620  1.00  0.00           H  
HETATM  119  H   UNL     1       6.742  -1.657  -0.309  1.00  0.00           H  
HETATM  120  H   UNL     1       5.594  -1.650   1.069  1.00  0.00           H  
HETATM  121  H   UNL     1       4.990  -1.280  -1.754  1.00  0.00           H  
HETATM  122  H   UNL     1      10.377  -0.274  -0.201  1.00  0.00           H  
HETATM  123  H   UNL     1      10.086  -0.283  -1.960  1.00  0.00           H  
HETATM  124  H   UNL     1      11.113   1.872  -1.021  1.00  0.00           H  
HETATM  125  H   UNL     1       9.632   2.082  -1.985  1.00  0.00           H  
HETATM  126  H   UNL     1      10.551   4.086  -0.191  1.00  0.00           H  
HETATM  127  H   UNL     1       8.911   4.396   0.428  1.00  0.00           H  
HETATM  128  H   UNL     1      10.163   3.741   1.511  1.00  0.00           H  
HETATM  129  H   UNL     1       8.242   3.300   1.983  1.00  0.00           H  
CONECT    1   20   19   17   18                                       
CONECT    2   14   15   12   62                                       
CONECT    3   54   63                                                 
CONECT    4   12    6   64   65                                       
CONECT    5   30   29    8   28                                       
CONECT    6    4    7   10   10                                       
CONECT    7    6   11   27   66                                       
CONECT    8    5   27   67   68                                       
CONECT    9   26   26                                                 
CONECT   10    6    6                                                 
CONECT   11    7   12                                                 
CONECT   12    2    4   11   13                                       
CONECT   13   12   69   70   71                                       
CONECT   14    2   72                                                 
CONECT   15    2   18   16   73                                       
CONECT   16   15   17   74   75                                       
CONECT   17    1   16   76   77                                       
CONECT   18    1   15                                                 
CONECT   19    1   23                                                 
CONECT   20    1   21   78   79                                       
CONECT   21   20   22   80   81                                       
CONECT   22   21   23   82   83                                       
CONECT   23   19   22   24   84                                       
CONECT   24   23   26   25   85                                       
CONECT   25   24   86   87   88                                       
CONECT   26    9    9   24   53                                       
CONECT   27    7    8   32   89                                       
CONECT   28    5   90   91   92                                       
CONECT   29    5   33   93   94                                       
CONECT   30    5   31                                                 
CONECT   31   30   34   33   32                                       
CONECT   32   27   31                                                 
CONECT   33   29   31   95   96                                       
CONECT   34   31   39   35   97                                       
CONECT   35   34   36                                                 
CONECT   36   35   40   38   37                                       
CONECT   37   36   98   99  100                                       
CONECT   38   36   39  101  102                                       
CONECT   39   34   38  103  104                                       
CONECT   40   36   41  105  106                                       
CONECT   41   40   43   42  107                                       
CONECT   42   41  108  109  110                                       
CONECT   43   41   44   44  111                                       
CONECT   44   43   43   46   45                                       
CONECT   45   44  112  113  114                                       
CONECT   46   44   47   47  115                                       
CONECT   47   46   46   48  116                                       
CONECT   48   47   52   49  117                                       
CONECT   49   48   50                                                 
CONECT   50   49   51   54  118                                       
CONECT   51   50   52  119  120                                       
CONECT   52   48   51   53  121                                       
CONECT   53   26   52                                                 
CONECT   54    3   50   60   55                                       
CONECT   55   54   56                                                 
CONECT   56   55   57  122  123                                       
CONECT   57   56   58  124  125                                       
CONECT   58   57   59   60   60                                       
CONECT   59   58  126  127  128                                       
CONECT   60   54   58   58   61                                       
CONECT   61   60  129                                                 
CONECT   62    2                                                      
CONECT   63    3                                                      
CONECT   64    4                                                      
CONECT   65    4                                                      
CONECT   66    7                                                      
CONECT   67    8                                                      
CONECT   68    8                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   13                                                      
CONECT   72   14                                                      
CONECT   73   15                                                      
CONECT   74   16                                                      
CONECT   75   16                                                      
CONECT   76   17                                                      
CONECT   77   17                                                      
CONECT   78   20                                                      
CONECT   79   20                                                      
CONECT   80   21                                                      
CONECT   81   21                                                      
CONECT   82   22                                                      
CONECT   83   22                                                      
CONECT   84   23                                                      
CONECT   85   24                                                      
CONECT   86   25                                                      
CONECT   87   25                                                      
CONECT   88   25                                                      
CONECT   89   27                                                      
CONECT   90   28                                                      
CONECT   91   28                                                      
CONECT   92   28                                                      
CONECT   93   29                                                      
CONECT   94   29                                                      
CONECT   95   33                                                      
CONECT   96   33                                                      
CONECT   97   34                                                      
CONECT   98   37                                                      
CONECT   99   37                                                      
CONECT  100   37                                                      
CONECT  101   38                                                      
CONECT  102   38                                                      
CONECT  103   39                                                      
CONECT  104   39                                                      
CONECT  105   40                                                      
CONECT  106   40                                                      
CONECT  107   41                                                      
CONECT  108   42                                                      
CONECT  109   42                                                      
CONECT  110   42                                                      
CONECT  111   43                                                      
CONECT  112   45                                                      
CONECT  113   45                                                      
CONECT  114   45                                                      
CONECT  115   46                                                      
CONECT  116   47                                                      
CONECT  117   48                                                      
CONECT  118   50                                                      
CONECT  119   51                                                      
CONECT  120   51                                                      
CONECT  121   52                                                      
CONECT  122   56                                                      
CONECT  123   56                                                      
CONECT  124   57                                                      
CONECT  125   57                                                      
CONECT  126   59                                                      
CONECT  127   59                                                      
CONECT  128   59                                                      
CONECT  129   61                                                      
MASTER        0    0    0    0    0    0    0    0  129    0  129    0
END
