COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.582   1.041  -0.563  1.00  0.00           C  
HETATM    2  O   UNL     1       5.053   2.143  -0.752  1.00  0.00           O  
HETATM    3  C   UNL     1       3.111  -0.860  -0.785  1.00  0.00           C  
HETATM    4  C   UNL     1       4.413  -1.214  -0.031  1.00  0.00           C  
HETATM    5  N   UNL     1       5.283  -0.040  -0.179  1.00  0.00           N  
HETATM    6  C   UNL     1       6.728  -0.047   0.060  1.00  0.00           C  
HETATM    7  C   UNL     1       7.028  -0.570   1.448  1.00  0.00           C  
HETATM    8  C   UNL     1       7.451  -1.884   1.371  1.00  0.00           C  
HETATM    9  C   UNL     1       7.464  -2.333  -0.075  1.00  0.00           C  
HETATM   10  C   UNL     1       7.426  -1.031  -0.903  1.00  0.00           C  
HETATM   11  O   UNL     1       6.656  -1.209  -2.093  1.00  0.00           O  
HETATM   12  C   UNL     1       7.783  -2.570   2.527  1.00  0.00           C  
HETATM   13  C   UNL     1       7.692  -1.946   3.756  1.00  0.00           C  
HETATM   14  C   UNL     1       7.269  -0.633   3.833  1.00  0.00           C  
HETATM   15  C   UNL     1       6.938   0.054   2.681  1.00  0.00           C  
HETATM   16  O   UNL     1       1.969  -1.394  -0.111  1.00  0.00           O  
HETATM   17  C   UNL     1       0.825   0.962   0.227  1.00  0.00           C  
HETATM   18  C   UNL     1       0.028   1.364   1.470  1.00  0.00           C  
HETATM   19  C   UNL     1       2.560   1.278  -2.014  1.00  0.00           C  
HETATM   20  C   UNL     1       2.804   2.765  -2.032  1.00  0.00           C  
HETATM   21  C   UNL     1       1.936   3.616  -1.373  1.00  0.00           C  
HETATM   22  C   UNL     1       2.159   4.980  -1.389  1.00  0.00           C  
HETATM   23  C   UNL     1       3.251   5.494  -2.065  1.00  0.00           C  
HETATM   24  C   UNL     1       4.119   4.643  -2.724  1.00  0.00           C  
HETATM   25  C   UNL     1       3.899   3.279  -2.702  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.802   1.190   1.032  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.362   1.314   1.367  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.705   0.275   2.024  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.365   0.396   2.334  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.675   1.545   1.993  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.322   2.579   1.341  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.660   2.467   1.021  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.213   1.671   2.334  1.00  0.00           C  
HETATM   34  N   UNL     1      -1.404   1.150   1.224  1.00  0.00           N  
HETATM   35  N   UNL     1      -1.670  -0.172   1.003  1.00  0.00           N  
HETATM   36  C   UNL     1      -2.154  -0.572  -0.190  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.542  -2.012  -0.401  1.00  0.00           C  
HETATM   38  N   UNL     1      -3.257  -2.144  -1.673  1.00  0.00           N  
HETATM   39  C   UNL     1      -4.214  -3.083  -1.814  1.00  0.00           C  
HETATM   40  O   UNL     1      -4.871  -3.204  -2.983  1.00  0.00           O  
HETATM   41  C   UNL     1      -5.889  -4.236  -3.063  1.00  0.00           C  
HETATM   42  O   UNL     1      -4.483  -3.820  -0.886  1.00  0.00           O  
HETATM   43  C   UNL     1      -1.283  -2.881  -0.432  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.497  -2.686   0.867  1.00  0.00           C  
HETATM   45  C   UNL     1      -1.681  -4.351  -0.572  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.411  -2.473  -1.621  1.00  0.00           C  
HETATM   47  O   UNL     1      -2.276   0.228  -1.093  1.00  0.00           O  
HETATM   48  C   UNL     1      -8.522   0.041   1.372  1.00  0.00           C  
HETATM   49  C   UNL     1      -9.859  -0.033   1.041  1.00  0.00           C  
HETATM   50  N   UNL     1     -10.458   0.961   0.414  1.00  0.00           N  
HETATM   51  C   UNL     1      -9.815   2.063   0.075  1.00  0.00           C  
HETATM   52  C   UNL     1       3.120   0.685  -0.720  1.00  0.00           C  
HETATM   53  C   UNL     1      -8.477   2.221   0.373  1.00  0.00           C  
HETATM   54  C   UNL     1       2.317   1.175   0.486  1.00  0.00           C  
HETATM   55  H   UNL     1       3.150  -1.209  -1.817  1.00  0.00           H  
HETATM   56  H   UNL     1       4.202  -1.396   1.023  1.00  0.00           H  
HETATM   57  H   UNL     1       4.883  -2.089  -0.479  1.00  0.00           H  
HETATM   58  H   UNL     1       1.934  -2.360  -0.101  1.00  0.00           H  
HETATM   59  H   UNL     1       7.135   0.957  -0.063  1.00  0.00           H  
HETATM   60  H   UNL     1       8.434  -0.693  -1.139  1.00  0.00           H  
HETATM   61  H   UNL     1       6.608   1.080   2.742  1.00  0.00           H  
HETATM   62  H   UNL     1       8.375  -2.891  -0.289  1.00  0.00           H  
HETATM   63  H   UNL     1       6.586  -2.943  -0.289  1.00  0.00           H  
HETATM   64  H   UNL     1       8.113  -3.597   2.467  1.00  0.00           H  
HETATM   65  H   UNL     1       7.052  -1.819  -2.731  1.00  0.00           H  
HETATM   66  H   UNL     1       7.951  -2.484   4.656  1.00  0.00           H  
HETATM   67  H   UNL     1       7.197  -0.143   4.793  1.00  0.00           H  
HETATM   68  H   UNL     1       0.641  -0.088   0.002  1.00  0.00           H  
HETATM   69  H   UNL     1       0.512   1.575  -0.619  1.00  0.00           H  
HETATM   70  H   UNL     1       0.347   0.757   2.317  1.00  0.00           H  
HETATM   71  H   UNL     1       0.205   2.417   1.690  1.00  0.00           H  
HETATM   72  H   UNL     1       2.511   2.236   0.645  1.00  0.00           H  
HETATM   73  H   UNL     1       2.615   0.616   1.373  1.00  0.00           H  
HETATM   74  H   UNL     1       1.489   1.085  -2.069  1.00  0.00           H  
HETATM   75  H   UNL     1       3.056   0.819  -2.869  1.00  0.00           H  
HETATM   76  H   UNL     1       4.579   2.614  -3.213  1.00  0.00           H  
HETATM   77  H   UNL     1       1.083   3.214  -0.845  1.00  0.00           H  
HETATM   78  H   UNL     1       4.971   5.044  -3.252  1.00  0.00           H  
HETATM   79  H   UNL     1       3.425   6.559  -2.078  1.00  0.00           H  
HETATM   80  H   UNL     1       1.481   5.644  -0.875  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.958   3.128   0.098  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.038  -0.777   1.885  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.243  -0.622   2.291  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.163   3.273   0.508  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.855  -0.408   2.843  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.778   3.474   1.077  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.967   2.720   2.501  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.000   1.100   3.238  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.511  -0.823   1.705  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.188  -2.338   0.414  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.042  -1.556  -2.413  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.340  -4.226  -4.055  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.434  -5.210  -2.881  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.657  -4.048  -2.313  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.127  -2.953   1.716  1.00  0.00           H  
HETATM   96  H   UNL     1       0.387  -3.323   0.855  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.192  -1.643   0.954  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.240  -4.490  -1.497  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.784  -4.970  -0.594  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.302  -4.642   0.276  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.197  -1.405  -1.566  1.00  0.00           H  
HETATM  102  H   UNL     1       0.524  -3.032  -1.595  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.938  -2.690  -2.550  1.00  0.00           H  
HETATM  104  H   UNL     1     -10.344   2.852  -0.437  1.00  0.00           H  
HETATM  105  H   UNL     1     -10.424  -0.917   1.299  1.00  0.00           H  
CONECT    1    2    2    5   52                                       
CONECT    2    1    1                                                 
CONECT    3    4   16   52   55                                       
CONECT    4    3    5   56   57                                       
CONECT    5    1    4    6                                            
CONECT    6    5    7   10   59                                       
CONECT    7    6    8   15   15                                       
CONECT    8    7    9   12   12                                       
CONECT    9    8   10   62   63                                       
CONECT   10    6    9   11   60                                       
CONECT   11   10   65                                                 
CONECT   12    8    8   13   64                                       
CONECT   13   12   14   14   66                                       
CONECT   14   13   13   15   67                                       
CONECT   15    7    7   14   61                                       
CONECT   16    3   58                                                 
CONECT   17   18   54   68   69                                       
CONECT   18   17   34   70   71                                       
CONECT   19   20   52   74   75                                       
CONECT   20   19   25   25   21                                       
CONECT   21   20   22   22   77                                       
CONECT   22   23   21   21   80                                       
CONECT   23   24   24   22   79                                       
CONECT   24   25   23   23   78                                       
CONECT   25   20   20   24   76                                       
CONECT   26   27   53   48   48                                       
CONECT   27   26   28   32   32                                       
CONECT   28   27   29   29   83                                       
CONECT   29   28   28   30   85                                       
CONECT   30   29   31   31   33                                       
CONECT   31   30   30   32   86                                       
CONECT   32   27   27   31   84                                       
CONECT   33   30   34   87   88                                       
CONECT   34   18   33   35                                            
CONECT   35   34   36   89                                            
CONECT   36   35   37   47   47                                       
CONECT   37   36   38   43   90                                       
CONECT   38   37   39   91                                            
CONECT   39   38   40   42   42                                       
CONECT   40   39   41                                                 
CONECT   41   40   92   93   94                                       
CONECT   42   39   39                                                 
CONECT   43   37   44   45   46                                       
CONECT   44   43   95   96   97                                       
CONECT   45   43   98   99  100                                       
CONECT   46   43  101  102  103                                       
CONECT   47   36   36                                                 
CONECT   48   26   26   49   82                                       
CONECT   49   50   50   48  105                                       
CONECT   50   51   49   49                                            
CONECT   51   53   53   50  104                                       
CONECT   52    1    3   19   54                                       
CONECT   53   26   51   51   81                                       
CONECT   54   17   52   72   73                                       
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    4                                                      
CONECT   58   16                                                      
CONECT   59    6                                                      
CONECT   60   10                                                      
CONECT   61   15                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64   12                                                      
CONECT   65   11                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   54                                                      
CONECT   73   54                                                      
CONECT   74   19                                                      
CONECT   75   19                                                      
CONECT   76   25                                                      
CONECT   77   21                                                      
CONECT   78   24                                                      
CONECT   79   23                                                      
CONECT   80   22                                                      
CONECT   81   53                                                      
CONECT   82   48                                                      
CONECT   83   28                                                      
CONECT   84   32                                                      
CONECT   85   29                                                      
CONECT   86   31                                                      
CONECT   87   33                                                      
CONECT   88   33                                                      
CONECT   89   35                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   41                                                      
CONECT   93   41                                                      
CONECT   94   41                                                      
CONECT   95   44                                                      
CONECT   96   44                                                      
CONECT   97   44                                                      
CONECT   98   45                                                      
CONECT   99   45                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   46                                                      
CONECT  103   46                                                      
CONECT  104   51                                                      
CONECT  105   49                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
