COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.153  -0.086   0.520  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.383  -0.090   1.326  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.479  -0.688   0.867  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.739  -0.691   1.693  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.890  -0.110   0.869  1.00  0.00           C  
HETATM    6  O   UNL     1      -6.139  -0.627  -0.570  1.00  0.00           O  
HETATM    7  N   UNL     1      -5.043   0.520   0.986  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.818   0.523   0.183  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.624   0.678   1.089  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.781   0.776   2.287  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.861   1.688  -0.808  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.982   1.469  -1.792  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.246   1.958  -1.519  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.745   0.786  -2.970  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.274   1.758  -2.421  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.773   0.586  -3.872  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.038   1.070  -3.596  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.382   0.707   0.567  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.221   0.858   1.448  1.00  0.00           C  
HETATM   20  C   UNL     1       0.922   1.462   0.674  1.00  0.00           C  
HETATM   21  O   UNL     1       1.269   0.962  -0.375  1.00  0.00           O  
HETATM   22  C   UNL     1       0.194  -0.513   1.983  1.00  0.00           C  
HETATM   23  O   UNL     1       0.600  -1.367   0.884  1.00  0.00           O  
HETATM   24  N   UNL     1       1.558   2.552   1.136  1.00  0.00           N  
HETATM   25  C   UNL     1       2.775   3.139   0.559  1.00  0.00           C  
HETATM   26  C   UNL     1       3.644   2.052   0.011  1.00  0.00           C  
HETATM   27  O   UNL     1       3.163   0.946  -0.113  1.00  0.00           O  
HETATM   28  C   UNL     1       3.483   3.913   1.686  1.00  0.00           C  
HETATM   29  C   UNL     1       2.357   4.240   2.687  1.00  0.00           C  
HETATM   30  C   UNL     1       1.167   3.347   2.307  1.00  0.00           C  
HETATM   31  C   UNL     1       5.285  -0.148  -0.748  1.00  0.00           C  
HETATM   32  N   UNL     1       4.919   2.227  -0.352  1.00  0.00           N  
HETATM   33  O   UNL     1       5.411  -0.434   0.424  1.00  0.00           O  
HETATM   34  C   UNL     1       5.563   1.247  -1.241  1.00  0.00           C  
HETATM   35  C   UNL     1       7.068   1.511  -1.266  1.00  0.00           C  
HETATM   36  C   UNL     1       6.507   3.967  -1.002  1.00  0.00           C  
HETATM   37  C   UNL     1       5.698   3.369   0.141  1.00  0.00           C  
HETATM   38  C   UNL     1       7.334   2.933  -1.746  1.00  0.00           C  
HETATM   39  N   UNL     1       4.885  -1.086  -1.664  1.00  0.00           N  
HETATM   40  C   UNL     1       4.532  -2.403  -1.085  1.00  0.00           C  
HETATM   41  C   UNL     1       3.040  -2.438  -0.872  1.00  0.00           C  
HETATM   42  O   UNL     1       2.354  -1.510  -1.244  1.00  0.00           O  
HETATM   43  C   UNL     1       5.249  -2.587   0.254  1.00  0.00           C  
HETATM   44  C   UNL     1       0.640  -2.688   1.113  1.00  0.00           C  
HETATM   45  N   UNL     1       2.468  -3.497  -0.270  1.00  0.00           N  
HETATM   46  O   UNL     1       0.350  -3.117   2.205  1.00  0.00           O  
HETATM   47  C   UNL     1       1.041  -3.639   0.020  1.00  0.00           C  
HETATM   48  C   UNL     1       0.789  -5.084   0.463  1.00  0.00           C  
HETATM   49  C   UNL     1       3.178  -4.688   0.197  1.00  0.00           C  
HETATM   50  C   UNL     1       2.167  -6.753  -0.825  1.00  0.00           C  
HETATM   51  C   UNL     1       2.143  -5.807   0.378  1.00  0.00           C  
HETATM   52  H   UNL     1      -7.397   0.394   2.292  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.465  -1.171  -0.099  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.980  -1.713   1.984  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.589  -0.084   2.586  1.00  0.00           H  
HETATM   56  H   UNL     1     -11.802  -0.112   1.467  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.649   0.912   0.578  1.00  0.00           H  
HETATM   58  H   UNL     1     -11.040  -0.717  -0.024  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.056   0.954   1.853  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.740  -0.417  -0.364  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.028   2.619  -0.268  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.913   1.744  -1.344  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.430   2.496  -0.601  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.756   0.408  -3.185  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.262   2.139  -2.207  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.587   0.052  -4.792  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.841   0.913  -4.301  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.256   0.629  -0.392  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.480   1.510   2.282  1.00  0.00           H  
HETATM   70  H   UNL     1       1.026  -0.394   2.677  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.649  -0.968   2.504  1.00  0.00           H  
HETATM   72  H   UNL     1       2.504   3.840  -0.234  1.00  0.00           H  
HETATM   73  H   UNL     1       4.244   3.290   2.158  1.00  0.00           H  
HETATM   74  H   UNL     1       3.927   4.830   1.299  1.00  0.00           H  
HETATM   75  H   UNL     1       2.682   4.017   3.703  1.00  0.00           H  
HETATM   76  H   UNL     1       2.078   5.291   2.607  1.00  0.00           H  
HETATM   77  H   UNL     1       0.304   3.967   2.061  1.00  0.00           H  
HETATM   78  H   UNL     1       0.921   2.686   3.137  1.00  0.00           H  
HETATM   79  H   UNL     1       5.157   1.363  -2.248  1.00  0.00           H  
HETATM   80  H   UNL     1       7.475   1.385  -0.263  1.00  0.00           H  
HETATM   81  H   UNL     1       7.549   0.804  -1.943  1.00  0.00           H  
HETATM   82  H   UNL     1       5.824   4.442  -1.706  1.00  0.00           H  
HETATM   83  H   UNL     1       7.176   4.727  -0.599  1.00  0.00           H  
HETATM   84  H   UNL     1       5.021   4.124   0.540  1.00  0.00           H  
HETATM   85  H   UNL     1       6.373   3.035   0.929  1.00  0.00           H  
HETATM   86  H   UNL     1       8.391   3.160  -1.606  1.00  0.00           H  
HETATM   87  H   UNL     1       7.101   2.995  -2.809  1.00  0.00           H  
HETATM   88  H   UNL     1       4.836  -0.902  -2.616  1.00  0.00           H  
HETATM   89  H   UNL     1       4.824  -3.198  -1.772  1.00  0.00           H  
HETATM   90  H   UNL     1       4.717  -2.038   1.030  1.00  0.00           H  
HETATM   91  H   UNL     1       5.274  -3.646   0.510  1.00  0.00           H  
HETATM   92  H   UNL     1       6.269  -2.209   0.175  1.00  0.00           H  
HETATM   93  H   UNL     1       0.463  -3.428  -0.881  1.00  0.00           H  
HETATM   94  H   UNL     1       0.419  -5.103   1.488  1.00  0.00           H  
HETATM   95  H   UNL     1       0.069  -5.559  -0.203  1.00  0.00           H  
HETATM   96  H   UNL     1       3.922  -4.988  -0.540  1.00  0.00           H  
HETATM   97  H   UNL     1       3.664  -4.479   1.150  1.00  0.00           H  
HETATM   98  H   UNL     1       2.011  -6.182  -1.740  1.00  0.00           H  
HETATM   99  H   UNL     1       3.132  -7.258  -0.871  1.00  0.00           H  
HETATM  100  H   UNL     1       1.374  -7.494  -0.720  1.00  0.00           H  
HETATM  101  H   UNL     1       2.337  -6.359   1.298  1.00  0.00           H  
CONECT    1    6    6    2    7                                       
CONECT    2    1    3    3   52                                       
CONECT    3    2    2    4   53                                       
CONECT    4    3    5   54   55                                       
CONECT    5    4   56   57   58                                       
CONECT    6    1    1                                                 
CONECT    7    8   59    1                                            
CONECT    8    7    9   11   60                                       
CONECT    9    8   10   10   18                                       
CONECT   10    9    9                                                 
CONECT   11    8   12   61   62                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12   15   63                                       
CONECT   14   12   16   16   64                                       
CONECT   15   13   17   17   65                                       
CONECT   16   14   14   17   66                                       
CONECT   17   15   15   16   67                                       
CONECT   18   19   68    9                                            
CONECT   19   18   20   22   69                                       
CONECT   20   19   21   21   24                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   70   71                                       
CONECT   23   22   44                                                 
CONECT   24   25   30   20                                            
CONECT   25   24   26   28   72                                       
CONECT   26   25   27   27   32                                       
CONECT   27   26   26                                                 
CONECT   28   25   29   73   74                                       
CONECT   29   28   30   75   76                                       
CONECT   30   24   29   77   78                                       
CONECT   31   33   33   34   39                                       
CONECT   32   34   37   26                                            
CONECT   33   31   31                                                 
CONECT   34   31   32   35   79                                       
CONECT   35   34   38   80   81                                       
CONECT   36   37   38   82   83                                       
CONECT   37   32   36   84   85                                       
CONECT   38   35   36   86   87                                       
CONECT   39   40   88   31                                            
CONECT   40   39   41   43   89                                       
CONECT   41   40   42   42   45                                       
CONECT   42   41   41                                                 
CONECT   43   40   90   91   92                                       
CONECT   44   46   46   47   23                                       
CONECT   45   47   49   41                                            
CONECT   46   44   44                                                 
CONECT   47   44   45   48   93                                       
CONECT   48   47   51   94   95                                       
CONECT   49   45   51   96   97                                       
CONECT   50   51   98   99  100                                       
CONECT   51   48   49   50  101                                       
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   25                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   40                                                      
CONECT   90   43                                                      
CONECT   91   43                                                      
CONECT   92   43                                                      
CONECT   93   47                                                      
CONECT   94   48                                                      
CONECT   95   48                                                      
CONECT   96   49                                                      
CONECT   97   49                                                      
CONECT   98   50                                                      
CONECT   99   50                                                      
CONECT  100   50                                                      
CONECT  101   51                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
