COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.963   3.286   0.265  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.126   2.401  -0.970  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.360   1.512  -0.787  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.604   2.381  -0.602  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.430   3.288   0.620  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.204   4.175   0.410  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.999   5.083   1.599  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.825   5.159   2.477  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.723   5.897   1.654  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.530   4.962   1.435  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.724   4.168   0.140  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.514   3.304  -0.105  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.463   2.186   0.363  1.00  0.00           O  
HETATM   14  N   UNL     1       0.511   3.772  -0.844  1.00  0.00           N  
HETATM   15  C   UNL     1       0.510   5.158  -1.331  1.00  0.00           C  
HETATM   16  C   UNL     1       1.816   5.833  -0.900  1.00  0.00           C  
HETATM   17  C   UNL     1       3.002   4.997  -1.385  1.00  0.00           C  
HETATM   18  C   UNL     1       2.944   3.607  -0.747  1.00  0.00           C  
HETATM   19  C   UNL     1       1.653   2.909  -1.172  1.00  0.00           C  
HETATM   20  C   UNL     1       1.524   1.597  -0.440  1.00  0.00           C  
HETATM   21  O   UNL     1       1.580   1.571   0.766  1.00  0.00           O  
HETATM   22  O   UNL     1       1.347   0.459  -1.129  1.00  0.00           O  
HETATM   23  C   UNL     1       1.231  -0.766  -0.359  1.00  0.00           C  
HETATM   24  C   UNL     1       2.619  -1.377  -0.159  1.00  0.00           C  
HETATM   25  C   UNL     1       3.470  -0.438   0.699  1.00  0.00           C  
HETATM   26  C   UNL     1       4.838  -1.039   0.897  1.00  0.00           C  
HETATM   27  C   UNL     1       5.850  -0.760  -0.002  1.00  0.00           C  
HETATM   28  C   UNL     1       5.079  -1.865   1.979  1.00  0.00           C  
HETATM   29  C   UNL     1       6.332  -2.418   2.165  1.00  0.00           C  
HETATM   30  C   UNL     1       7.350  -2.146   1.265  1.00  0.00           C  
HETATM   31  O   UNL     1       8.583  -2.690   1.446  1.00  0.00           O  
HETATM   32  C   UNL     1       8.758  -3.537   2.583  1.00  0.00           C  
HETATM   33  C   UNL     1       7.108  -1.311   0.178  1.00  0.00           C  
HETATM   34  O   UNL     1       8.104  -1.042  -0.709  1.00  0.00           O  
HETATM   35  C   UNL     1       7.784  -0.177  -1.800  1.00  0.00           C  
HETATM   36  C   UNL     1       0.354  -1.743  -1.099  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.555  -2.517  -0.405  1.00  0.00           C  
HETATM   38  C   UNL     1       0.458  -1.861  -2.473  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.345  -2.756  -3.155  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.252  -3.537  -2.465  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.362  -3.417  -1.088  1.00  0.00           C  
HETATM   42  O   UNL     1      -2.257  -4.180  -0.407  1.00  0.00           O  
HETATM   43  C   UNL     1      -3.054  -5.085  -1.174  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.995  -5.851  -0.243  1.00  0.00           C  
HETATM   45  N   UNL     1      -4.949  -4.916   0.368  1.00  0.00           N  
HETATM   46  C   UNL     1      -5.853  -4.349  -0.643  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.788  -3.338   0.025  1.00  0.00           C  
HETATM   48  O   UNL     1      -7.498  -3.981   1.087  1.00  0.00           O  
HETATM   49  C   UNL     1      -6.647  -4.544   2.090  1.00  0.00           C  
HETATM   50  C   UNL     1      -5.711  -5.567   1.443  1.00  0.00           C  
HETATM   51  H   UNL     1      -2.868   2.652   1.146  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.255   3.027  -1.853  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.241   1.778  -1.091  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.486   0.882  -1.667  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.225   0.882   0.092  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.752   2.996  -1.490  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.475   1.741  -0.457  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.315   3.912   0.741  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.289   2.675   1.511  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.334   4.770  -0.493  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.740   6.656   0.873  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.638   6.378   2.629  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.616   5.551   1.365  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.452   4.271   2.274  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.851   4.859  -0.693  1.00  0.00           H  
HETATM   66  H   UNL     1       0.438   5.163  -2.419  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.338   5.694  -0.906  1.00  0.00           H  
HETATM   68  H   UNL     1       1.871   6.831  -1.336  1.00  0.00           H  
HETATM   69  H   UNL     1       1.844   5.910   0.187  1.00  0.00           H  
HETATM   70  H   UNL     1       2.960   4.901  -2.470  1.00  0.00           H  
HETATM   71  H   UNL     1       3.933   5.488  -1.100  1.00  0.00           H  
HETATM   72  H   UNL     1       3.802   3.020  -1.075  1.00  0.00           H  
HETATM   73  H   UNL     1       2.962   3.704   0.338  1.00  0.00           H  
HETATM   74  H   UNL     1       1.672   2.729  -2.247  1.00  0.00           H  
HETATM   75  H   UNL     1       0.788  -0.544   0.612  1.00  0.00           H  
HETATM   76  H   UNL     1       2.524  -2.340   0.341  1.00  0.00           H  
HETATM   77  H   UNL     1       3.098  -1.516  -1.128  1.00  0.00           H  
HETATM   78  H   UNL     1       3.565   0.525   0.199  1.00  0.00           H  
HETATM   79  H   UNL     1       2.991  -0.298   1.669  1.00  0.00           H  
HETATM   80  H   UNL     1       5.660  -0.112  -0.845  1.00  0.00           H  
HETATM   81  H   UNL     1       4.287  -2.077   2.682  1.00  0.00           H  
HETATM   82  H   UNL     1       6.518  -3.062   3.012  1.00  0.00           H  
HETATM   83  H   UNL     1       9.784  -3.904   2.609  1.00  0.00           H  
HETATM   84  H   UNL     1       8.550  -2.973   3.492  1.00  0.00           H  
HETATM   85  H   UNL     1       8.072  -4.382   2.516  1.00  0.00           H  
HETATM   86  H   UNL     1       8.664  -0.045  -2.430  1.00  0.00           H  
HETATM   87  H   UNL     1       6.979  -0.617  -2.389  1.00  0.00           H  
HETATM   88  H   UNL     1       7.465   0.791  -1.415  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.638  -2.423   0.667  1.00  0.00           H  
HETATM   90  H   UNL     1       1.166  -1.251  -3.015  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.263  -2.845  -4.229  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.879  -4.236  -2.999  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.641  -4.524  -1.903  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.405  -5.789  -1.695  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.540  -6.603  -0.815  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.414  -6.340   0.539  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.268  -3.849  -1.415  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.443  -5.148  -1.092  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.202  -2.511   0.428  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.497  -2.957  -0.709  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.057  -3.752   2.553  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.256  -5.035   2.849  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.299  -6.386   1.027  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.023  -5.957   2.193  1.00  0.00           H  
CONECT    1    2   11    6   51                                       
CONECT    2    3    1   52   53                                       
CONECT    3    2    4   54   55                                       
CONECT    4    3    5   56   57                                       
CONECT    5    4    6   58   59                                       
CONECT    6    1    5    7   60                                       
CONECT    7    6    9    8    8                                       
CONECT    8    7    7                                                 
CONECT    9   10    7   61   62                                       
CONECT   10   11    9   63   64                                       
CONECT   11   12    1   10   65                                       
CONECT   12   13   13   14   11                                       
CONECT   13   12   12                                                 
CONECT   14   19   12   15                                            
CONECT   15   16   14   66   67                                       
CONECT   16   17   15   68   69                                       
CONECT   17   18   16   70   71                                       
CONECT   18   17   19   72   73                                       
CONECT   19   18   14   20   74                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23                                                 
CONECT   23   22   24   36   75                                       
CONECT   24   23   25   76   77                                       
CONECT   25   24   26   78   79                                       
CONECT   26   27   27   28   25                                       
CONECT   27   33   26   26   80                                       
CONECT   28   29   29   26   81                                       
CONECT   29   30   28   28   82                                       
CONECT   30   31   33   33   29                                       
CONECT   31   32   30                                                 
CONECT   32   31   83   84   85                                       
CONECT   33   30   30   34   27                                       
CONECT   34   35   33                                                 
CONECT   35   34   86   87   88                                       
CONECT   36   23   37   37   38                                       
CONECT   37   36   36   41   89                                       
CONECT   38   36   39   39   90                                       
CONECT   39   38   38   40   91                                       
CONECT   40   41   41   39   92                                       
CONECT   41   37   42   40   40                                       
CONECT   42   43   41                                                 
CONECT   43   42   44   93   94                                       
CONECT   44   43   45   95   96                                       
CONECT   45   46   44   50                                            
CONECT   46   45   47   97   98                                       
CONECT   47   46   48   99  100                                       
CONECT   48   47   49                                                 
CONECT   49   50   48  101  102                                       
CONECT   50   45   49  103  104                                       
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    4                                                      
CONECT   58    5                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   17                                                      
CONECT   72   18                                                      
CONECT   73   18                                                      
CONECT   74   19                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   32                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   35                                                      
CONECT   89   37                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   40                                                      
CONECT   93   43                                                      
CONECT   94   43                                                      
CONECT   95   44                                                      
CONECT   96   44                                                      
CONECT   97   46                                                      
CONECT   98   46                                                      
CONECT   99   47                                                      
CONECT  100   47                                                      
CONECT  101   49                                                      
CONECT  102   49                                                      
CONECT  103   50                                                      
CONECT  104   50                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
