COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.985   1.538  -6.633  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.351   2.654  -6.320  1.00  0.00           O  
HETATM    3  N   UNL     1      -0.969   1.173  -7.930  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.409   2.115  -8.962  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.512  -0.166  -8.309  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.684  -1.113  -8.317  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.487  -2.440  -8.648  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.884  -0.667  -8.004  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.571  -3.304  -8.652  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.939  -1.458  -8.002  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.819  -2.797  -8.322  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.594   0.666  -5.683  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.720   1.020  -4.267  1.00  0.00           C  
HETATM   14  C   UNL     1       0.361   0.330  -3.477  1.00  0.00           C  
HETATM   15  O   UNL     1       0.890  -0.668  -3.918  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.090   0.575  -3.750  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.188   1.346  -4.487  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.266  -0.924  -3.997  1.00  0.00           C  
HETATM   19  N   UNL     1       0.742   0.823  -2.282  1.00  0.00           N  
HETATM   20  C   UNL     1       1.866   0.216  -1.564  1.00  0.00           C  
HETATM   21  C   UNL     1       3.167   0.908  -1.976  1.00  0.00           C  
HETATM   22  C   UNL     1       3.374   0.746  -3.460  1.00  0.00           C  
HETATM   23  C   UNL     1       2.867   1.689  -4.335  1.00  0.00           C  
HETATM   24  C   UNL     1       3.056   1.541  -5.696  1.00  0.00           C  
HETATM   25  C   UNL     1       3.752   0.451  -6.183  1.00  0.00           C  
HETATM   26  C   UNL     1       4.260  -0.491  -5.308  1.00  0.00           C  
HETATM   27  C   UNL     1       4.075  -0.341  -3.947  1.00  0.00           C  
HETATM   28  C   UNL     1       1.656   0.380  -0.058  1.00  0.00           C  
HETATM   29  O   UNL     1       1.580   1.770   0.264  1.00  0.00           O  
HETATM   30  O   UNL     1       2.906  -1.643   0.369  1.00  0.00           O  
HETATM   31  C   UNL     1       2.830  -0.252   0.691  1.00  0.00           C  
HETATM   32  N   UNL     1       1.375  -0.751   2.593  1.00  0.00           N  
HETATM   33  C   UNL     1       2.621  -0.089   2.198  1.00  0.00           C  
HETATM   34  C   UNL     1       3.794  -0.722   2.948  1.00  0.00           C  
HETATM   35  C   UNL     1       3.588  -0.561   4.432  1.00  0.00           C  
HETATM   36  C   UNL     1       2.909  -1.531   5.145  1.00  0.00           C  
HETATM   37  C   UNL     1       2.720  -1.383   6.506  1.00  0.00           C  
HETATM   38  C   UNL     1       3.210  -0.265   7.155  1.00  0.00           C  
HETATM   39  C   UNL     1       3.889   0.704   6.442  1.00  0.00           C  
HETATM   40  C   UNL     1       4.082   0.554   5.082  1.00  0.00           C  
HETATM   41  N   UNL     1      -0.778  -0.740   5.535  1.00  0.00           N  
HETATM   42  C   UNL     1      -0.553  -1.029   4.117  1.00  0.00           C  
HETATM   43  C   UNL     1       0.665  -0.283   3.639  1.00  0.00           C  
HETATM   44  O   UNL     1       1.008   0.737   4.197  1.00  0.00           O  
HETATM   45  C   UNL     1      -1.772  -0.586   3.306  1.00  0.00           C  
HETATM   46  C   UNL     1      -1.936   0.930   3.419  1.00  0.00           C  
HETATM   47  C   UNL     1      -1.575  -0.969   1.838  1.00  0.00           C  
HETATM   48  C   UNL     1      -1.359  -1.663   6.327  1.00  0.00           C  
HETATM   49  O   UNL     1      -1.631  -2.761   5.882  1.00  0.00           O  
HETATM   50  N   UNL     1      -1.638  -1.368   7.612  1.00  0.00           N  
HETATM   51  C   UNL     1      -2.291  -2.363   8.467  1.00  0.00           C  
HETATM   52  C   UNL     1      -1.289  -0.053   8.155  1.00  0.00           C  
HETATM   53  C   UNL     1      -2.441   0.896   7.950  1.00  0.00           C  
HETATM   54  C   UNL     1      -2.335   2.203   8.387  1.00  0.00           C  
HETATM   55  N   UNL     1      -3.537   0.472   7.351  1.00  0.00           N  
HETATM   56  C   UNL     1      -3.400   3.069   8.193  1.00  0.00           C  
HETATM   57  C   UNL     1      -4.572   1.266   7.155  1.00  0.00           C  
HETATM   58  C   UNL     1      -4.538   2.585   7.565  1.00  0.00           C  
HETATM   59  H   UNL     1      -1.624   3.081  -8.504  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.622   2.233  -9.706  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.309   1.733  -9.443  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.066  -0.130  -9.303  1.00  0.00           H  
HETATM   63  H   UNL     1       0.230  -0.513  -7.590  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.500  -2.801  -8.900  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.448  -4.346  -8.907  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.908  -1.056  -7.744  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.687  -3.441  -8.316  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.229  -0.195  -5.936  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.622   2.099  -4.152  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.159   0.777  -2.681  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.164   1.029  -4.119  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.063   2.414  -4.310  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.119   1.143  -5.556  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.257  -1.119  -5.070  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.450  -1.468  -3.522  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.216  -1.252  -3.577  1.00  0.00           H  
HETATM   77  H   UNL     1       0.272   1.579  -1.897  1.00  0.00           H  
HETATM   78  H   UNL     1       1.924  -0.843  -1.810  1.00  0.00           H  
HETATM   79  H   UNL     1       3.109   1.968  -1.731  1.00  0.00           H  
HETATM   80  H   UNL     1       4.003   0.456  -1.442  1.00  0.00           H  
HETATM   81  H   UNL     1       2.322   2.541  -3.955  1.00  0.00           H  
HETATM   82  H   UNL     1       2.659   2.277  -6.380  1.00  0.00           H  
HETATM   83  H   UNL     1       3.900   0.335  -7.247  1.00  0.00           H  
HETATM   84  H   UNL     1       4.804  -1.343  -5.688  1.00  0.00           H  
HETATM   85  H   UNL     1       4.471  -1.077  -3.263  1.00  0.00           H  
HETATM   86  H   UNL     1       0.729  -0.111   0.235  1.00  0.00           H  
HETATM   87  H   UNL     1       2.418   2.167  -0.011  1.00  0.00           H  
HETATM   88  H   UNL     1       2.069  -2.040   0.645  1.00  0.00           H  
HETATM   89  H   UNL     1       3.757   0.239   0.398  1.00  0.00           H  
HETATM   90  H   UNL     1       1.060  -1.525   2.101  1.00  0.00           H  
HETATM   91  H   UNL     1       2.562   0.971   2.444  1.00  0.00           H  
HETATM   92  H   UNL     1       3.852  -1.783   2.702  1.00  0.00           H  
HETATM   93  H   UNL     1       4.721  -0.230   2.654  1.00  0.00           H  
HETATM   94  H   UNL     1       2.526  -2.405   4.638  1.00  0.00           H  
HETATM   95  H   UNL     1       2.189  -2.141   7.063  1.00  0.00           H  
HETATM   96  H   UNL     1       3.061  -0.149   8.218  1.00  0.00           H  
HETATM   97  H   UNL     1       4.272   1.578   6.949  1.00  0.00           H  
HETATM   98  H   UNL     1       4.614   1.312   4.525  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.510   0.115   5.904  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.398  -2.100   3.984  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.665  -1.078   3.693  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.804   1.246   2.841  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.076   1.203   4.465  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.043   1.422   3.031  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.739  -0.405   1.424  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.364  -2.036   1.766  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.481  -0.740   1.277  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.390  -3.301   7.921  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.689  -2.525   9.361  1.00  0.00           H  
HETATM  110  H   UNL     1      -3.279  -2.003   8.754  1.00  0.00           H  
HETATM  111  H   UNL     1      -1.078  -0.143   9.220  1.00  0.00           H  
HETATM  112  H   UNL     1      -0.407   0.329   7.641  1.00  0.00           H  
HETATM  113  H   UNL     1      -1.434   2.546   8.873  1.00  0.00           H  
HETATM  114  H   UNL     1      -3.346   4.095   8.524  1.00  0.00           H  
HETATM  115  H   UNL     1      -5.454   0.881   6.665  1.00  0.00           H  
HETATM  116  H   UNL     1      -5.387   3.231   7.398  1.00  0.00           H  
CONECT    1    2    2    3   12                                       
CONECT    2    1    1                                                 
CONECT    3    1    4    5                                            
CONECT    4    3   59   60   61                                       
CONECT    5    3    6   62   63                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6    9    9   64                                       
CONECT    8    6    6   10                                            
CONECT    9    7    7   11   65                                       
CONECT   10    8   11   11   66                                       
CONECT   11    9   10   10   67                                       
CONECT   12    1   13   68                                            
CONECT   13   12   14   16   69                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   18   70                                       
CONECT   17   16   71   72   73                                       
CONECT   18   16   74   75   76                                       
CONECT   19   14   20   77                                            
CONECT   20   19   21   28   78                                       
CONECT   21   20   22   79   80                                       
CONECT   22   21   23   23   27                                       
CONECT   23   22   22   24   81                                       
CONECT   24   23   25   25   82                                       
CONECT   25   24   24   26   83                                       
CONECT   26   25   27   27   84                                       
CONECT   27   22   26   26   85                                       
CONECT   28   20   29   31   86                                       
CONECT   29   28   87                                                 
CONECT   30   31   88                                                 
CONECT   31   28   30   33   89                                       
CONECT   32   33   43   90                                            
CONECT   33   31   32   34   91                                       
CONECT   34   33   35   92   93                                       
CONECT   35   34   36   36   40                                       
CONECT   36   35   35   37   94                                       
CONECT   37   36   38   38   95                                       
CONECT   38   37   37   39   96                                       
CONECT   39   38   40   40   97                                       
CONECT   40   35   39   39   98                                       
CONECT   41   42   48   99                                            
CONECT   42   41   43   45  100                                       
CONECT   43   32   42   44   44                                       
CONECT   44   43   43                                                 
CONECT   45   42   46   47  101                                       
CONECT   46   45  102  103  104                                       
CONECT   47   45  105  106  107                                       
CONECT   48   41   49   49   50                                       
CONECT   49   48   48                                                 
CONECT   50   48   51   52                                            
CONECT   51   50  108  109  110                                       
CONECT   52   50   53  111  112                                       
CONECT   53   52   54   55   55                                       
CONECT   54   53   56   56  113                                       
CONECT   55   53   53   57                                            
CONECT   56   54   54   58  114                                       
CONECT   57   55   58   58  115                                       
CONECT   58   56   57   57  116                                       
CONECT   59    4                                                      
CONECT   60    4                                                      
CONECT   61    4                                                      
CONECT   62    5                                                      
CONECT   63    5                                                      
CONECT   64    7                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   16                                                      
CONECT   71   17                                                      
CONECT   72   17                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   18                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   20                                                      
CONECT   79   21                                                      
CONECT   80   21                                                      
CONECT   81   23                                                      
CONECT   82   24                                                      
CONECT   83   25                                                      
CONECT   84   26                                                      
CONECT   85   27                                                      
CONECT   86   28                                                      
CONECT   87   29                                                      
CONECT   88   30                                                      
CONECT   89   31                                                      
CONECT   90   32                                                      
CONECT   91   33                                                      
CONECT   92   34                                                      
CONECT   93   34                                                      
CONECT   94   36                                                      
CONECT   95   37                                                      
CONECT   96   38                                                      
CONECT   97   39                                                      
CONECT   98   40                                                      
CONECT   99   41                                                      
CONECT  100   42                                                      
CONECT  101   45                                                      
CONECT  102   46                                                      
CONECT  103   46                                                      
CONECT  104   46                                                      
CONECT  105   47                                                      
CONECT  106   47                                                      
CONECT  107   47                                                      
CONECT  108   51                                                      
CONECT  109   51                                                      
CONECT  110   51                                                      
CONECT  111   52                                                      
CONECT  112   52                                                      
CONECT  113   54                                                      
CONECT  114   56                                                      
CONECT  115   57                                                      
CONECT  116   58                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
