COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.477   2.176  -1.654  1.00  0.00           C  
HETATM    2  O   UNL     1      -5.821   1.618  -2.508  1.00  0.00           O  
HETATM    3  C   UNL     1      -7.588   3.114  -2.050  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.217   1.951  -0.351  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.141   1.034   0.034  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.832   1.536  -0.518  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.824   2.320  -1.443  1.00  0.00           O  
HETATM    8  N   UNL     1     -10.091  -3.229   3.079  1.00  0.00           N  
HETATM    9  N   UNL     1     -11.352  -2.260   1.387  1.00  0.00           N  
HETATM   10  C   UNL     1      -6.677  -0.911   0.115  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.913  -0.673  -0.458  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.056  -1.181   0.124  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.963  -1.936   1.293  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.714  -2.173   1.866  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.578  -1.659   1.274  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.432  -0.358  -0.530  1.00  0.00           C  
HETATM   17  C   UNL     1     -10.186  -2.483   1.924  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.669   1.113   0.016  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.396   1.601  -0.520  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.311   0.596  -0.230  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.574  -0.426   0.366  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.043   2.937   0.138  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.145   3.957  -0.157  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.793   5.292   0.501  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.668   5.098   2.014  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.566   4.079   2.308  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.919   2.743   1.650  1.00  0.00           C  
HETATM   28  N   UNL     1       0.953   0.834  -0.633  1.00  0.00           N  
HETATM   29  C   UNL     1       2.008  -0.142  -0.351  1.00  0.00           C  
HETATM   30  C   UNL     1       3.344   0.556  -0.321  1.00  0.00           C  
HETATM   31  O   UNL     1       3.408   1.751  -0.516  1.00  0.00           O  
HETATM   32  N   UNL     1      -0.498  -3.813  -0.561  1.00  0.00           N1+
HETATM   33  C   UNL     1      -1.562  -3.452  -1.250  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.535  -2.330  -2.056  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.370  -1.582  -2.133  1.00  0.00           C  
HETATM   36  C   UNL     1       2.017  -1.213  -1.444  1.00  0.00           C  
HETATM   37  C   UNL     1       0.729  -1.993  -1.394  1.00  0.00           C  
HETATM   38  C   UNL     1       0.627  -3.126  -0.610  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.568  -5.006   0.287  1.00  0.00           C  
HETATM   40  N   UNL     1       4.467  -0.149  -0.077  1.00  0.00           N  
HETATM   41  C   UNL     1       5.774   0.508  -0.155  1.00  0.00           C  
HETATM   42  C   UNL     1       6.751  -0.212   0.739  1.00  0.00           C  
HETATM   43  O   UNL     1       6.485  -1.317   1.162  1.00  0.00           O  
HETATM   44  C   UNL     1       6.280   0.469  -1.598  1.00  0.00           C  
HETATM   45  C   UNL     1       6.117  -0.946  -2.158  1.00  0.00           C  
HETATM   46  C   UNL     1       6.331  -0.923  -3.673  1.00  0.00           C  
HETATM   47  C   UNL     1       7.149  -1.872  -1.511  1.00  0.00           C  
HETATM   48  N   UNL     1       7.920   0.372   1.068  1.00  0.00           N  
HETATM   49  C   UNL     1       8.982  -0.235   1.884  1.00  0.00           C  
HETATM   50  C   UNL     1       9.505  -1.474   1.205  1.00  0.00           C  
HETATM   51  O   UNL     1       9.567  -1.522  -0.005  1.00  0.00           O  
HETATM   52  C   UNL     1      10.111   0.809   2.016  1.00  0.00           C  
HETATM   53  C   UNL     1       9.380   2.149   1.741  1.00  0.00           C  
HETATM   54  C   UNL     1       8.349   1.724   0.663  1.00  0.00           C  
HETATM   55  N   UNL     1       9.904  -2.529   1.943  1.00  0.00           N  
HETATM   56  H   UNL     1      -7.651   3.165  -3.137  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.533   2.749  -1.648  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.383   4.108  -1.651  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.741   2.397   0.332  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.081   0.981   1.121  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.892  -3.588   3.492  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.223  -3.395   3.478  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.419  -1.735   0.574  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.984  -0.088  -1.363  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.021  -0.994  -0.324  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.636  -2.757   2.771  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.610  -1.842   1.717  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.581  -0.290  -1.607  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.590  -1.018  -0.320  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.675   0.486   0.757  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.485   1.739  -1.598  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.096   3.299  -0.261  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.234   4.095  -1.234  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.092   3.594   0.243  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.846   5.655   0.102  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.578   6.019   0.292  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.417   6.050   2.482  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.615   4.736   2.413  1.00  0.00           H  
HETATM   79  H   UNL     1       0.381   4.442   1.909  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.477   3.941   3.386  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.866   2.380   2.049  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.134   2.016   1.860  1.00  0.00           H  
HETATM   83  H   UNL     1       1.164   1.652  -1.110  1.00  0.00           H  
HETATM   84  H   UNL     1       1.821  -0.611   0.615  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.466  -4.040  -1.185  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.410  -2.039  -2.619  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.319  -0.700  -2.755  1.00  0.00           H  
HETATM   88  H   UNL     1       2.116  -0.736  -2.419  1.00  0.00           H  
HETATM   89  H   UNL     1       2.857  -1.889  -1.284  1.00  0.00           H  
HETATM   90  H   UNL     1       1.477  -3.453  -0.031  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.272  -5.881  -0.291  1.00  0.00           H  
HETATM   92  H   UNL     1       0.103  -4.888   1.137  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.589  -5.137   0.646  1.00  0.00           H  
HETATM   94  H   UNL     1       4.409  -1.090   0.149  1.00  0.00           H  
HETATM   95  H   UNL     1       5.680   1.544   0.170  1.00  0.00           H  
HETATM   96  H   UNL     1       5.703   1.168  -2.204  1.00  0.00           H  
HETATM   97  H   UNL     1       7.332   0.751  -1.622  1.00  0.00           H  
HETATM   98  H   UNL     1       5.114  -1.311  -1.938  1.00  0.00           H  
HETATM   99  H   UNL     1       7.334  -0.558  -3.893  1.00  0.00           H  
HETATM  100  H   UNL     1       6.215  -1.931  -4.071  1.00  0.00           H  
HETATM  101  H   UNL     1       5.595  -0.263  -4.133  1.00  0.00           H  
HETATM  102  H   UNL     1       8.130  -1.395  -1.535  1.00  0.00           H  
HETATM  103  H   UNL     1       6.865  -2.067  -0.477  1.00  0.00           H  
HETATM  104  H   UNL     1       7.189  -2.812  -2.061  1.00  0.00           H  
HETATM  105  H   UNL     1       8.592  -0.489   2.870  1.00  0.00           H  
HETATM  106  H   UNL     1      10.531   0.797   3.022  1.00  0.00           H  
HETATM  107  H   UNL     1      10.887   0.633   1.271  1.00  0.00           H  
HETATM  108  H   UNL     1       8.883   2.514   2.640  1.00  0.00           H  
HETATM  109  H   UNL     1      10.069   2.896   1.347  1.00  0.00           H  
HETATM  110  H   UNL     1       8.816   1.694  -0.321  1.00  0.00           H  
HETATM  111  H   UNL     1       7.500   2.406   0.661  1.00  0.00           H  
HETATM  112  H   UNL     1       9.854  -2.490   2.911  1.00  0.00           H  
HETATM  113  H   UNL     1      10.241  -3.327   1.506  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   56   57   58                                       
CONECT    4    5   59    1                                            
CONECT    5    4    6   16   60                                       
CONECT    6    5    7    7   18                                       
CONECT    7    6    6                                                 
CONECT    8   17   61   62                                            
CONECT    9   17   17   63                                            
CONECT   10   11   11   15   16                                       
CONECT   11   10   10   12   64                                       
CONECT   12   11   13   13   65                                       
CONECT   13   12   12   14   17                                       
CONECT   14   13   15   15   66                                       
CONECT   15   10   14   14   67                                       
CONECT   16    5   10   68   69                                       
CONECT   17    8    9    9   13                                       
CONECT   18   19   70    6                                            
CONECT   19   18   22   20   71                                       
CONECT   20   19   21   21   28                                       
CONECT   21   20   20                                                 
CONECT   22   19   27   23   72                                       
CONECT   23   22   24   73   74                                       
CONECT   24   23   25   75   76                                       
CONECT   25   24   26   77   78                                       
CONECT   26   25   27   79   80                                       
CONECT   27   22   26   81   82                                       
CONECT   28   29   83   20                                            
CONECT   29   28   30   36   84                                       
CONECT   30   29   31   31   40                                       
CONECT   31   30   30                                                 
CONECT   32   33   38   38   39                                       
CONECT   33   32   34   34   85                                       
CONECT   34   33   33   35   86                                       
CONECT   35   34   37   37   87                                       
CONECT   36   29   37   88   89                                       
CONECT   37   35   35   36   38                                       
CONECT   38   32   32   37   90                                       
CONECT   39   32   91   92   93                                       
CONECT   40   41   94   30                                            
CONECT   41   40   42   44   95                                       
CONECT   42   41   43   43   48                                       
CONECT   43   42   42                                                 
CONECT   44   41   45   96   97                                       
CONECT   45   44   46   47   98                                       
CONECT   46   45   99  100  101                                       
CONECT   47   45  102  103  104                                       
CONECT   48   49   54   42                                            
CONECT   49   48   50   52  105                                       
CONECT   50   49   51   51   55                                       
CONECT   51   50   50                                                 
CONECT   52   49   53  106  107                                       
CONECT   53   52   54  108  109                                       
CONECT   54   48   53  110  111                                       
CONECT   55  112  113   50                                            
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    3                                                      
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   44                                                      
CONECT   97   44                                                      
CONECT   98   45                                                      
CONECT   99   46                                                      
CONECT  100   46                                                      
CONECT  101   46                                                      
CONECT  102   47                                                      
CONECT  103   47                                                      
CONECT  104   47                                                      
CONECT  105   49                                                      
CONECT  106   52                                                      
CONECT  107   52                                                      
CONECT  108   53                                                      
CONECT  109   53                                                      
CONECT  110   54                                                      
CONECT  111   54                                                      
CONECT  112   55                                                      
CONECT  113   55                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
