COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.001  -1.393  -0.227  1.00  0.00           C  
HETATM    2  O   UNL     1       6.298  -0.991   0.878  1.00  0.00           O  
HETATM    3  C   UNL     1       7.073  -1.903  -1.156  1.00  0.00           C  
HETATM    4  N   UNL     1       8.381  -1.804  -0.495  1.00  0.00           N  
HETATM    5  O   UNL     1      11.080  -1.058  -0.287  1.00  0.00           O  
HETATM    6  C   UNL     1       8.756  -0.400  -0.278  1.00  0.00           C  
HETATM    7  C   UNL     1       9.416  -2.507  -1.268  1.00  0.00           C  
HETATM    8  C   UNL     1      10.094  -0.343   0.464  1.00  0.00           C  
HETATM    9  C   UNL     1      10.747  -2.429  -0.516  1.00  0.00           C  
HETATM   10  N   UNL     1       4.713  -1.388  -0.623  1.00  0.00           N  
HETATM   11  C   UNL     1       3.671  -0.896   0.282  1.00  0.00           C  
HETATM   12  C   UNL     1       2.351  -1.526  -0.083  1.00  0.00           C  
HETATM   13  O   UNL     1       2.287  -2.308  -1.008  1.00  0.00           O  
HETATM   14  C   UNL     1       3.562   0.625   0.158  1.00  0.00           C  
HETATM   15  C   UNL     1       4.860   1.270   0.647  1.00  0.00           C  
HETATM   16  C   UNL     1       4.753   2.769   0.524  1.00  0.00           C  
HETATM   17  C   UNL     1       5.146   3.396  -0.643  1.00  0.00           C  
HETATM   18  C   UNL     1       4.257   3.515   1.577  1.00  0.00           C  
HETATM   19  C   UNL     1       5.048   4.770  -0.756  1.00  0.00           C  
HETATM   20  C   UNL     1       4.159   4.889   1.464  1.00  0.00           C  
HETATM   21  C   UNL     1       4.556   5.517   0.299  1.00  0.00           C  
HETATM   22  N   UNL     1       1.242  -1.220   0.619  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.060  -1.745   0.198  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.148  -0.796   0.628  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.939   0.003   1.516  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.291  -3.113   0.844  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.583  -3.723   0.297  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.409  -4.040  -1.189  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.901  -5.011   1.059  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.353  -0.834   0.025  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.377   0.154   0.371  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.742  -0.414   0.082  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.849  -1.535  -0.370  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.165   1.421  -0.461  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.852   2.057  -0.082  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.805   2.990   0.937  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.694   1.703  -0.749  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.601   3.574   1.285  1.00  0.00           C  
HETATM   39  C   UNL     1       0.510   2.286  -0.401  1.00  0.00           C  
HETATM   40  C   UNL     1       0.556   3.224   0.614  1.00  0.00           C  
HETATM   41  N   UNL     1      -5.844   0.323   0.324  1.00  0.00           N  
HETATM   42  C   UNL     1      -7.174  -0.266   0.147  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.608  -0.944   1.447  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.923  -1.692   1.218  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.690  -2.848   0.243  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.435  -2.244   2.550  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.175   0.832  -0.215  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.713   1.544  -1.488  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.739   2.611  -1.877  1.00  0.00           C  
HETATM   50  C   UNL     1      -7.580   0.526  -2.622  1.00  0.00           C  
HETATM   51  O   UNL     1      -7.038   1.169  -3.778  1.00  0.00           O  
HETATM   52  O   UNL     1      -8.255   1.775   0.856  1.00  0.00           O  
HETATM   53  H   UNL     1       6.870  -2.945  -1.406  1.00  0.00           H  
HETATM   54  H   UNL     1       7.079  -1.305  -2.067  1.00  0.00           H  
HETATM   55  H   UNL     1       8.852   0.105  -1.239  1.00  0.00           H  
HETATM   56  H   UNL     1       7.989   0.094   0.317  1.00  0.00           H  
HETATM   57  H   UNL     1       9.130  -3.550  -1.395  1.00  0.00           H  
HETATM   58  H   UNL     1       9.521  -2.036  -2.246  1.00  0.00           H  
HETATM   59  H   UNL     1       9.985  -0.800   1.448  1.00  0.00           H  
HETATM   60  H   UNL     1      10.405   0.695   0.577  1.00  0.00           H  
HETATM   61  H   UNL     1      11.530  -2.899  -1.112  1.00  0.00           H  
HETATM   62  H   UNL     1      10.656  -2.947   0.439  1.00  0.00           H  
HETATM   63  H   UNL     1       4.476  -1.709  -1.506  1.00  0.00           H  
HETATM   64  H   UNL     1       3.927  -1.160   1.309  1.00  0.00           H  
HETATM   65  H   UNL     1       3.394   0.892  -0.885  1.00  0.00           H  
HETATM   66  H   UNL     1       2.728   0.980   0.764  1.00  0.00           H  
HETATM   67  H   UNL     1       5.028   1.002   1.690  1.00  0.00           H  
HETATM   68  H   UNL     1       5.693   0.915   0.041  1.00  0.00           H  
HETATM   69  H   UNL     1       5.530   2.813  -1.467  1.00  0.00           H  
HETATM   70  H   UNL     1       3.945   3.024   2.487  1.00  0.00           H  
HETATM   71  H   UNL     1       5.355   5.261  -1.668  1.00  0.00           H  
HETATM   72  H   UNL     1       3.770   5.472   2.286  1.00  0.00           H  
HETATM   73  H   UNL     1       4.480   6.591   0.211  1.00  0.00           H  
HETATM   74  H   UNL     1       1.304  -0.652   1.403  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.076  -1.849  -0.887  1.00  0.00           H  
HETATM   76  H   UNL     1       0.547  -3.770   0.613  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.373  -2.995   1.924  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.402  -3.014   0.424  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.352  -4.407  -1.596  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.112  -3.136  -1.721  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.640  -4.802  -1.311  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.026  -4.785   2.118  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.822  -5.445   0.670  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.083  -5.720   0.932  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.542  -1.517  -0.638  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.302   0.399   1.431  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.151   1.162  -1.519  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.977   2.122  -0.269  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.708   3.263   1.462  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.730   0.971  -1.542  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.564   4.303   2.080  1.00  0.00           H  
HETATM   92  H   UNL     1       1.414   2.009  -0.922  1.00  0.00           H  
HETATM   93  H   UNL     1       1.497   3.680   0.885  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.757   1.244   0.616  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.139  -1.005  -0.654  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.840  -1.650   1.764  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.749  -0.190   2.221  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.662  -1.008   0.800  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.260  -2.462  -0.681  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.004  -3.567   0.691  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.639  -3.338   0.026  1.00  0.00           H  
HETATM  102  H   UNL     1      -9.602  -1.420   3.245  1.00  0.00           H  
HETATM  103  H   UNL     1     -10.372  -2.776   2.387  1.00  0.00           H  
HETATM  104  H   UNL     1      -8.696  -2.928   2.968  1.00  0.00           H  
HETATM  105  H   UNL     1      -9.156   0.389  -0.383  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.747   2.018  -1.310  1.00  0.00           H  
HETATM  107  H   UNL     1      -8.369   3.176  -2.732  1.00  0.00           H  
HETATM  108  H   UNL     1      -9.681   2.130  -2.140  1.00  0.00           H  
HETATM  109  H   UNL     1      -8.898   3.286  -1.036  1.00  0.00           H  
HETATM  110  H   UNL     1      -6.917  -0.280  -2.311  1.00  0.00           H  
HETATM  111  H   UNL     1      -8.562   0.118  -2.861  1.00  0.00           H  
HETATM  112  H   UNL     1      -6.926   0.582  -4.538  1.00  0.00           H  
HETATM  113  H   UNL     1      -7.416   2.210   1.061  1.00  0.00           H  
CONECT    1    3    2    2   10                                       
CONECT    2    1    1                                                 
CONECT    3    4    1   53   54                                       
CONECT    4    6    7    3                                            
CONECT    5    8    9                                                 
CONECT    6    8    4   55   56                                       
CONECT    7    9    4   57   58                                       
CONECT    8    5    6   59   60                                       
CONECT    9    5    7   61   62                                       
CONECT   10    1   11   63                                            
CONECT   11   10   12   14   64                                       
CONECT   12   11   13   13   22                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   65   66                                       
CONECT   15   14   16   67   68                                       
CONECT   16   17   15   18   18                                       
CONECT   17   19   19   16   69                                       
CONECT   18   16   16   20   70                                       
CONECT   19   17   17   21   71                                       
CONECT   20   21   21   18   72                                       
CONECT   21   19   20   20   73                                       
CONECT   22   12   23   74                                            
CONECT   23   22   26   24   75                                       
CONECT   24   23   25   25   30                                       
CONECT   25   24   24                                                 
CONECT   26   27   23   76   77                                       
CONECT   27   29   28   26   78                                       
CONECT   28   27   79   80   81                                       
CONECT   29   27   82   83   84                                       
CONECT   30   24   31   85                                            
CONECT   31   30   34   32   86                                       
CONECT   32   31   33   33   41                                       
CONECT   33   32   32                                                 
CONECT   34   35   31   87   88                                       
CONECT   35   36   34   37   37                                       
CONECT   36   38   38   35   89                                       
CONECT   37   35   35   39   90                                       
CONECT   38   36   36   40   91                                       
CONECT   39   40   40   37   92                                       
CONECT   40   38   39   39   93                                       
CONECT   41   32   42   94                                            
CONECT   42   41   43   47   95                                       
CONECT   43   42   44   96   97                                       
CONECT   44   46   43   45   98                                       
CONECT   45   44   99  100  101                                       
CONECT   46   44  102  103  104                                       
CONECT   47   42   48   52  105                                       
CONECT   48   49   50   47  106                                       
CONECT   49   48  107  108  109                                       
CONECT   50   51   48  110  111                                       
CONECT   51   50  112                                                 
CONECT   52   47  113                                                 
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   15                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   41                                                      
CONECT   95   42                                                      
CONECT   96   43                                                      
CONECT   97   43                                                      
CONECT   98   44                                                      
CONECT   99   45                                                      
CONECT  100   45                                                      
CONECT  101   45                                                      
CONECT  102   46                                                      
CONECT  103   46                                                      
CONECT  104   46                                                      
CONECT  105   47                                                      
CONECT  106   48                                                      
CONECT  107   49                                                      
CONECT  108   49                                                      
CONECT  109   49                                                      
CONECT  110   50                                                      
CONECT  111   50                                                      
CONECT  112   51                                                      
CONECT  113   52                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
