COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.568  -3.326  -2.458  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.097  -2.248  -2.733  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.128  -2.155  -3.657  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.602  -1.007  -2.043  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.701  -1.388  -1.049  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.206  -0.147  -0.359  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.267   0.674  -0.790  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.105   0.472  -2.026  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.299  -0.384  -1.689  1.00  0.00           C  
HETATM   10  O   UNL     1      -9.453  -0.789  -0.561  1.00  0.00           O  
HETATM   11  O   UNL     1     -10.191  -0.697  -2.642  1.00  0.00           O  
HETATM   12  C   UNL     1      -5.728   0.379   0.787  1.00  0.00           C  
HETATM   13  N   UNL     1      -6.453   1.497   1.077  1.00  0.00           N  
HETATM   14  C   UNL     1      -7.394   1.673   0.107  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.404   2.790   0.047  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.591  -0.174   1.607  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.283   0.334   1.058  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.487  -0.315   0.161  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.393   0.459  -0.093  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.497   1.588   0.636  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.509   2.726   0.663  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.878   3.748  -0.414  1.00  0.00           C  
HETATM   23  C   UNL     1       0.109   4.886  -0.387  1.00  0.00           C  
HETATM   24  O   UNL     1       1.015   4.880   0.412  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.018   5.905  -1.251  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.701   1.511   1.364  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.237   2.552   2.312  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.723   2.278   3.702  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.996   1.334   3.902  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.074   3.082   4.718  1.00  0.00           O  
HETATM   31  C   UNL     1      -0.263   0.111  -1.028  1.00  0.00           C  
HETATM   32  C   UNL     1       0.859  -0.522  -0.246  1.00  0.00           C  
HETATM   33  N   UNL     1       1.946   0.126   0.260  1.00  0.00           N  
HETATM   34  C   UNL     1       2.736  -0.780   0.903  1.00  0.00           C  
HETATM   35  C   UNL     1       2.154  -1.992   0.804  1.00  0.00           C  
HETATM   36  C   UNL     1       2.682  -3.284   1.372  1.00  0.00           C  
HETATM   37  C   UNL     1       2.144  -3.476   2.791  1.00  0.00           C  
HETATM   38  C   UNL     1       2.672  -4.768   3.358  1.00  0.00           C  
HETATM   39  O   UNL     1       3.404  -5.465   2.695  1.00  0.00           O  
HETATM   40  O   UNL     1       2.329  -5.146   4.600  1.00  0.00           O  
HETATM   41  C   UNL     1       0.957  -1.828   0.078  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.029  -2.911  -0.274  1.00  0.00           C  
HETATM   43  C   UNL     1       0.347  -3.521  -1.600  1.00  0.00           C  
HETATM   44  O   UNL     1       1.315  -3.116  -2.198  1.00  0.00           O  
HETATM   45  O   UNL     1      -0.396  -4.513  -2.117  1.00  0.00           O  
HETATM   46  C   UNL     1       4.037  -0.479   1.602  1.00  0.00           C  
HETATM   47  C   UNL     1       5.185  -0.738   0.661  1.00  0.00           C  
HETATM   48  N   UNL     1       5.905  -1.893   0.577  1.00  0.00           N  
HETATM   49  C   UNL     1       6.856  -1.747  -0.388  1.00  0.00           C  
HETATM   50  C   UNL     1       6.740  -0.510  -0.911  1.00  0.00           C  
HETATM   51  C   UNL     1       7.590   0.078  -2.007  1.00  0.00           C  
HETATM   52  C   UNL     1       8.732   0.887  -1.389  1.00  0.00           C  
HETATM   53  C   UNL     1       9.582   1.476  -2.485  1.00  0.00           C  
HETATM   54  O   UNL     1       9.303   1.269  -3.643  1.00  0.00           O  
HETATM   55  O   UNL     1      10.649   2.229  -2.176  1.00  0.00           O  
HETATM   56  C   UNL     1       5.674   0.130  -0.248  1.00  0.00           C  
HETATM   57  C   UNL     1       5.174   1.528  -0.505  1.00  0.00           C  
HETATM   58  C   UNL     1       5.916   2.497   0.379  1.00  0.00           C  
HETATM   59  O   UNL     1       6.764   2.093   1.139  1.00  0.00           O  
HETATM   60  O   UNL     1       5.636   3.808   0.321  1.00  0.00           O  
HETATM   61  H   UNL     1      -2.840  -2.978  -4.076  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.780  -0.528  -1.511  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.005  -0.318  -2.785  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.522  -1.867  -1.582  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.297  -2.077  -0.308  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.445   1.439  -2.396  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.509  -0.022  -2.793  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.940  -1.248  -2.378  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.322   2.072   1.848  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.984   3.630  -0.507  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.306   2.439  -0.454  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.651   3.111   1.059  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.700   0.148   2.643  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.606  -1.263   1.561  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.668  -1.184  -0.230  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.534   3.205   1.642  1.00  0.00           H  
HETATM   77  H   UNL     1       0.493   2.342   0.471  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.854   3.269  -1.393  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.880   4.132  -0.223  1.00  0.00           H  
HETATM   80  H   UNL     1       0.639   6.612  -1.195  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.908   3.540   1.992  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.327   2.515   2.314  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.719   2.866   5.591  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.619  -0.589  -1.784  1.00  0.00           H  
HETATM   85  H   UNL     1       0.099   1.017  -1.513  1.00  0.00           H  
HETATM   86  H   UNL     1       2.127   1.075   0.176  1.00  0.00           H  
HETATM   87  H   UNL     1       2.359  -4.115   0.745  1.00  0.00           H  
HETATM   88  H   UNL     1       3.771  -3.251   1.398  1.00  0.00           H  
HETATM   89  H   UNL     1       2.467  -2.645   3.417  1.00  0.00           H  
HETATM   90  H   UNL     1       1.055  -3.509   2.765  1.00  0.00           H  
HETATM   91  H   UNL     1       2.693  -5.983   4.920  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.013  -3.682   0.498  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.029  -2.484  -0.340  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.116  -4.872  -2.970  1.00  0.00           H  
HETATM   95  H   UNL     1       4.049   0.566   1.911  1.00  0.00           H  
HETATM   96  H   UNL     1       4.134  -1.118   2.479  1.00  0.00           H  
HETATM   97  H   UNL     1       5.763  -2.688   1.116  1.00  0.00           H  
HETATM   98  H   UNL     1       7.579  -2.494  -0.682  1.00  0.00           H  
HETATM   99  H   UNL     1       8.003  -0.725  -2.618  1.00  0.00           H  
HETATM  100  H   UNL     1       6.978   0.731  -2.631  1.00  0.00           H  
HETATM  101  H   UNL     1       8.319   1.691  -0.779  1.00  0.00           H  
HETATM  102  H   UNL     1       9.344   0.235  -0.766  1.00  0.00           H  
HETATM  103  H   UNL     1      11.164   2.585  -2.914  1.00  0.00           H  
HETATM  104  H   UNL     1       5.342   1.787  -1.550  1.00  0.00           H  
HETATM  105  H   UNL     1       4.108   1.579  -0.285  1.00  0.00           H  
HETATM  106  H   UNL     1       6.138   4.391   0.907  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   61                                                 
CONECT    4    5    2   62   63                                       
CONECT    5    6    4   64   65                                       
CONECT    6    7   12   12    5                                       
CONECT    7   14   14    8    6                                       
CONECT    8    9    7   66   67                                       
CONECT    9   11   10   10    8                                       
CONECT   10    9    9                                                 
CONECT   11    9   68                                                 
CONECT   12   13   16    6    6                                       
CONECT   13   14   12   69                                            
CONECT   14   15   13    7    7                                       
CONECT   15   14   70   71   72                                       
CONECT   16   12   17   73   74                                       
CONECT   17   16   26   26   18                                       
CONECT   18   17   19   75                                            
CONECT   19   18   20   20   31                                       
CONECT   20   26   21   19   19                                       
CONECT   21   20   22   76   77                                       
CONECT   22   21   23   78   79                                       
CONECT   23   24   24   22   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   80                                                 
CONECT   26   27   17   17   20                                       
CONECT   27   28   26   81   82                                       
CONECT   28   29   29   30   27                                       
CONECT   29   28   28                                                 
CONECT   30   28   83                                                 
CONECT   31   19   32   84   85                                       
CONECT   32   31   33   41   41                                       
CONECT   33   32   34   86                                            
CONECT   34   33   46   35   35                                       
CONECT   35   34   34   41   36                                       
CONECT   36   35   37   87   88                                       
CONECT   37   36   38   89   90                                       
CONECT   38   39   39   37   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   91                                                 
CONECT   41   32   32   35   42                                       
CONECT   42   41   43   92   93                                       
CONECT   43   42   45   44   44                                       
CONECT   44   43   43                                                 
CONECT   45   43   94                                                 
CONECT   46   34   47   95   96                                       
CONECT   47   46   48   56   56                                       
CONECT   48   47   49   97                                            
CONECT   49   48   50   50   98                                       
CONECT   50   49   49   56   51                                       
CONECT   51   50   52   99  100                                       
CONECT   52   53   51  101  102                                       
CONECT   53   55   54   54   52                                       
CONECT   54   53   53                                                 
CONECT   55   53  103                                                 
CONECT   56   47   47   50   57                                       
CONECT   57   56   58  104  105                                       
CONECT   58   57   60   59   59                                       
CONECT   59   58   58                                                 
CONECT   60   58  106                                                 
CONECT   61    3                                                      
CONECT   62    4                                                      
CONECT   63    4                                                      
CONECT   64    5                                                      
CONECT   65    5                                                      
CONECT   66    8                                                      
CONECT   67    8                                                      
CONECT   68   11                                                      
CONECT   69   13                                                      
CONECT   70   15                                                      
CONECT   71   15                                                      
CONECT   72   15                                                      
CONECT   73   16                                                      
CONECT   74   16                                                      
CONECT   75   18                                                      
CONECT   76   21                                                      
CONECT   77   21                                                      
CONECT   78   22                                                      
CONECT   79   22                                                      
CONECT   80   25                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   33                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   37                                                      
CONECT   91   40                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   45                                                      
CONECT   95   46                                                      
CONECT   96   46                                                      
CONECT   97   48                                                      
CONECT   98   49                                                      
CONECT   99   51                                                      
CONECT  100   51                                                      
CONECT  101   52                                                      
CONECT  102   52                                                      
CONECT  103   55                                                      
CONECT  104   57                                                      
CONECT  105   57                                                      
CONECT  106   60                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
