COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.351   4.801   5.069  1.00  0.00           N  
HETATM    2  N   UNL     1      -3.640   1.276   6.063  1.00  0.00           N  
HETATM    3  C   UNL     1       1.770   3.639   5.744  1.00  0.00           C  
HETATM    4  C   UNL     1       0.277   3.662   5.434  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.950   2.781   1.728  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.377   3.377   0.605  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.044   3.121   0.283  1.00  0.00           C  
HETATM    8  C   UNL     1       0.142   1.672   2.208  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.646   2.139   4.997  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.422   3.145   8.633  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.909   1.219   7.035  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.468  -1.654   9.705  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.650  -3.772   8.653  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.619  -3.177   9.676  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.640  -2.988   8.065  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.865  -3.999   3.045  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.104  -4.443   5.523  1.00  0.00           C  
HETATM   18  C   UNL     1       0.716   2.268   1.085  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.184   1.936   2.515  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.805   1.291   3.730  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.263   2.388   5.316  1.00  0.00           N  
HETATM   22  O   UNL     1      -0.351   4.709   5.282  1.00  0.00           O  
HETATM   23  C   UNL     1       2.054   3.733   7.251  1.00  0.00           C  
HETATM   24  C   UNL     1       1.554   5.030   7.888  1.00  0.00           C  
HETATM   25  C   UNL     1       0.056   5.171   7.777  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.718   4.222   7.751  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.347   6.462   7.682  1.00  0.00           O  
HETATM   28  C   UNL     1       3.634   4.807   4.585  1.00  0.00           C  
HETATM   29  C   UNL     1       4.015   6.095   3.933  1.00  0.00           C  
HETATM   30  O   UNL     1       4.448   3.893   4.638  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.264   1.424   6.194  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.609   1.067   7.171  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.474   0.678   7.073  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.998   2.725   7.294  1.00  0.00           C  
HETATM   35  O   UNL     1      -4.947   2.363   9.451  1.00  0.00           O  
HETATM   36  N   UNL     1      -5.515   4.504   8.841  1.00  0.00           N  
HETATM   37  C   UNL     1      -4.469  -0.828   6.831  1.00  0.00           C  
HETATM   38  O   UNL     1      -4.422  -1.325   5.708  1.00  0.00           O  
HETATM   39  N   UNL     1      -4.574  -1.550   8.015  1.00  0.00           N  
HETATM   40  C   UNL     1      -4.086  -3.549   9.381  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.106  -3.376   7.902  1.00  0.00           C  
HETATM   42  O   UNL     1      -7.031  -2.704   8.354  1.00  0.00           O  
HETATM   43  N   UNL     1      -6.258  -4.532   7.149  1.00  0.00           N  
HETATM   44  C   UNL     1      -7.546  -5.090   6.804  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.471  -6.621   6.718  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.942  -7.252   8.006  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.815  -6.883   9.178  1.00  0.00           C  
HETATM   48  O   UNL     1      -9.009  -6.629   9.089  1.00  0.00           O  
HETATM   49  O   UNL     1      -7.136  -6.879  10.352  1.00  0.00           O  
HETATM   50  C   UNL     1      -7.294  -4.716   4.254  1.00  0.00           C  
HETATM   51  O   UNL     1      -8.858  -3.279   3.080  1.00  0.00           O  
HETATM   52  N   UNL     1      -7.137  -4.243   1.900  1.00  0.00           N  
HETATM   53  H   UNL     1       1.787   5.628   4.957  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.082   1.607   5.208  1.00  0.00           H  
HETATM   55  H   UNL     1       2.232   2.735   5.335  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.990   2.986   1.970  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.968   4.041  -0.020  1.00  0.00           H  
HETATM   58  H   UNL     1       0.403   3.585  -0.591  1.00  0.00           H  
HETATM   59  H   UNL     1       0.741   1.009   2.827  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.121   3.120   4.881  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.347   1.011   6.050  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.532   0.686   7.764  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.440  -1.369   9.952  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.126  -1.212  10.461  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.719  -1.211   8.735  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.920  -3.477   7.633  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.627  -3.430   8.843  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.638  -4.864   8.702  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.345  -3.555  10.669  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.078  -3.364   7.204  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.135  -4.789   5.372  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.166  -3.357   5.677  1.00  0.00           H  
HETATM   73  H   UNL     1       1.753   2.069   0.835  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.867   1.088   3.538  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.344   0.304   3.869  1.00  0.00           H  
HETATM   76  H   UNL     1       0.350   1.589   5.463  1.00  0.00           H  
HETATM   77  H   UNL     1       1.585   2.882   7.761  1.00  0.00           H  
HETATM   78  H   UNL     1       3.133   3.655   7.438  1.00  0.00           H  
HETATM   79  H   UNL     1       1.794   5.032   8.958  1.00  0.00           H  
HETATM   80  H   UNL     1       2.055   5.910   7.472  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.314   6.597   7.589  1.00  0.00           H  
HETATM   82  H   UNL     1       4.885   6.569   4.416  1.00  0.00           H  
HETATM   83  H   UNL     1       4.303   5.963   2.878  1.00  0.00           H  
HETATM   84  H   UNL     1       3.231   6.869   3.925  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.997   0.885   8.037  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.055   3.020   7.295  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.505   3.287   6.493  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.174   4.925   9.698  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.921   5.132   8.154  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.603  -1.045   8.898  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.175  -4.645   9.364  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.716  -3.211  10.214  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.432  -5.016   6.809  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.219  -4.813   7.625  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.817  -6.907   5.885  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.461  -7.042   6.500  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.926  -6.906   8.227  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.888  -8.344   7.928  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.673  -6.656  11.143  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.277  -5.789   4.032  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.259  -4.379   4.380  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.432  -3.810   1.031  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.316  -4.841   1.895  1.00  0.00           H  
CONECT    1    3   28   53                                            
CONECT    2   33   31   54                                            
CONECT    3    1    4   23   55                                       
CONECT    4    3   21   22   22                                       
CONECT    5   19   19    6   56                                       
CONECT    6    5    7    7   57                                       
CONECT    7    6    6   18   58                                       
CONECT    8   19   18   18   59                                       
CONECT    9   31   20   21   60                                       
CONECT   10   34   36   35   35                                       
CONECT   11   33   34   61   62                                       
CONECT   12   14   63   64   65                                       
CONECT   13   14   66   67   68                                       
CONECT   14   12   13   40   69                                       
CONECT   15   40   41   39   70                                       
CONECT   16   50   51   51   52                                       
CONECT   17   44   50   71   72                                       
CONECT   18    7    8    8   73                                       
CONECT   19    5    5    8   20                                       
CONECT   20    9   19   74   75                                       
CONECT   21    4    9   76                                            
CONECT   22    4    4                                                 
CONECT   23    3   24   77   78                                       
CONECT   24   23   25   79   80                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   81                                                 
CONECT   28    1   30   30   29                                       
CONECT   29   28   82   83   84                                       
CONECT   30   28   28                                                 
CONECT   31    2    9   32   32                                       
CONECT   32   31   31                                                 
CONECT   33    2   11   37   85                                       
CONECT   34   10   11   86   87                                       
CONECT   35   10   10                                                 
CONECT   36   10   88   89                                            
CONECT   37   33   39   38   38                                       
CONECT   38   37   37                                                 
CONECT   39   15   37   90                                            
CONECT   40   14   15   91   92                                       
CONECT   41   15   43   42   42                                       
CONECT   42   41   41                                                 
CONECT   43   41   44   93                                            
CONECT   44   17   43   45   94                                       
CONECT   45   44   46   95   96                                       
CONECT   46   45   47   97   98                                       
CONECT   47   46   48   48   49                                       
CONECT   48   47   47                                                 
CONECT   49   47   99                                                 
CONECT   50   16   17  100  101                                       
CONECT   51   16   16                                                 
CONECT   52   16  102  103                                            
CONECT   53    1                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   13                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   17                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   21                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   27                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   40                                                      
CONECT   93   43                                                      
CONECT   94   44                                                      
CONECT   95   45                                                      
CONECT   96   45                                                      
CONECT   97   46                                                      
CONECT   98   46                                                      
CONECT   99   49                                                      
CONECT  100   50                                                      
CONECT  101   50                                                      
CONECT  102   52                                                      
CONECT  103   52                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
