COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.270   3.009  -0.334  1.00  0.00           C  
HETATM    2  C   UNL     1       8.645   1.554   0.027  1.00  0.00           C  
HETATM    3  C   UNL     1       7.375   0.743  -0.313  1.00  0.00           C  
HETATM    4  C   UNL     1       6.818   2.905  -0.850  1.00  0.00           C  
HETATM    5  C   UNL     1       5.248   4.147   0.687  1.00  0.00           C  
HETATM    6  C   UNL     1       5.975   5.283  -1.058  1.00  0.00           C  
HETATM    7  C   UNL     1       6.265   7.036  -2.515  1.00  0.00           C  
HETATM    8  C   UNL     1       5.118   6.083  -0.283  1.00  0.00           C  
HETATM    9  C   UNL     1       4.876   7.400  -0.707  1.00  0.00           C  
HETATM   10  C   UNL     1       7.163  -0.371   0.713  1.00  0.00           C  
HETATM   11  C   UNL     1       1.199  -5.600  -0.075  1.00  0.00           C  
HETATM   12  C   UNL     1       0.691  -6.013  -1.457  1.00  0.00           C  
HETATM   13  C   UNL     1       1.841  -6.622  -2.262  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.426  -7.047  -1.302  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.495  -6.498  -0.393  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.257  -4.890   0.105  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.025  -3.783  -0.620  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.020  -3.161   0.326  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.782  -1.552   0.823  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.550  -0.445   0.099  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.547   1.571   0.214  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.512   2.388   1.075  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.734   3.149   2.117  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.470   2.587   3.357  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.754   3.315   4.287  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.567   5.270   5.020  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.261   4.426   1.857  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.551   5.094   2.837  1.00  0.00           C  
HETATM   29  C   UNL     1     -10.309   0.906  -0.904  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.766  -0.367  -0.757  1.00  0.00           C  
HETATM   31  C   UNL     1     -11.473  -0.998  -1.780  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.557   1.601  -2.100  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.100   2.917  -2.288  1.00  0.00           C  
HETATM   34  C   UNL     1     -10.358   3.558  -3.460  1.00  0.00           C  
HETATM   35  C   UNL     1     -11.281   0.961  -3.137  1.00  0.00           C  
HETATM   36  C   UNL     1     -11.727  -0.358  -2.954  1.00  0.00           C  
HETATM   37  C   UNL     1     -11.523   1.654  -4.336  1.00  0.00           C  
HETATM   38  C   UNL     1     -11.070   2.929  -4.480  1.00  0.00           C  
HETATM   39  C   UNL     1       0.151  -4.784  -2.191  1.00  0.00           C  
HETATM   40  N   UNL     1       6.040   4.070  -0.420  1.00  0.00           N  
HETATM   41  N   UNL     1       4.705   5.328   0.764  1.00  0.00           N  
HETATM   42  N   UNL     1       6.520   5.796  -2.156  1.00  0.00           N  
HETATM   43  N   UNL     1       5.467   7.826  -1.819  1.00  0.00           N  
HETATM   44  N   UNL     1       4.041   8.235   0.015  1.00  0.00           N  
HETATM   45  N   UNL     1      -2.290  -5.495  -0.815  1.00  0.00           N  
HETATM   46  N   UNL     1      -5.815  -2.157  -0.096  1.00  0.00           N  
HETATM   47  N   UNL     1      -8.323   4.530   4.007  1.00  0.00           N1+
HETATM   48  O   UNL     1       9.130   3.511  -1.359  1.00  0.00           O  
HETATM   49  O   UNL     1       9.749   1.110  -0.765  1.00  0.00           O  
HETATM   50  O   UNL     1      11.663   1.486   0.837  1.00  0.00           O  
HETATM   51  O   UNL     1      10.773  -0.868   0.632  1.00  0.00           O  
HETATM   52  O   UNL     1      12.172   0.241  -1.298  1.00  0.00           O  
HETATM   53  O   UNL     1       6.296   1.702  -0.245  1.00  0.00           O  
HETATM   54  O   UNL     1       6.053  -1.179   0.317  1.00  0.00           O  
HETATM   55  O   UNL     1       6.686  -3.584   1.171  1.00  0.00           O  
HETATM   56  O   UNL     1       5.262  -2.029   2.558  1.00  0.00           O  
HETATM   57  O   UNL     1       4.203  -3.038   0.501  1.00  0.00           O  
HETATM   58  O   UNL     1       1.974  -3.093   1.893  1.00  0.00           O  
HETATM   59  O   UNL     1       3.568  -5.049   1.888  1.00  0.00           O  
HETATM   60  O   UNL     1       2.242  -4.634  -0.220  1.00  0.00           O  
HETATM   61  O   UNL     1       0.109  -8.246  -0.739  1.00  0.00           O  
HETATM   62  O   UNL     1      -1.641  -6.960   0.719  1.00  0.00           O  
HETATM   63  O   UNL     1      -5.106  -3.563   1.467  1.00  0.00           O  
HETATM   64  P   UNL     1      11.102   0.514  -0.127  1.00  0.00           P  
HETATM   65  P   UNL     1       5.545  -2.448   1.168  1.00  0.00           P  
HETATM   66  P   UNL     1       3.009  -3.977   1.034  1.00  0.00           P  
HETATM   67  S   UNL     1      -8.748   0.304   1.237  1.00  0.00           S  
HETATM   68  H   UNL     1       8.317   3.646   0.549  1.00  0.00           H  
HETATM   69  H   UNL     1       8.878   1.472   1.088  1.00  0.00           H  
HETATM   70  H   UNL     1       7.448   0.326  -1.318  1.00  0.00           H  
HETATM   71  H   UNL     1       6.806   2.822  -1.936  1.00  0.00           H  
HETATM   72  H   UNL     1       5.090   3.346   1.393  1.00  0.00           H  
HETATM   73  H   UNL     1       6.725   7.423  -3.412  1.00  0.00           H  
HETATM   74  H   UNL     1       8.060  -0.988   0.770  1.00  0.00           H  
HETATM   75  H   UNL     1       6.963   0.068   1.690  1.00  0.00           H  
HETATM   76  H   UNL     1       0.379  -5.166   0.498  1.00  0.00           H  
HETATM   77  H   UNL     1       1.584  -6.475   0.448  1.00  0.00           H  
HETATM   78  H   UNL     1       2.287  -7.441  -1.696  1.00  0.00           H  
HETATM   79  H   UNL     1       1.461  -7.001  -3.210  1.00  0.00           H  
HETATM   80  H   UNL     1       2.596  -5.859  -2.452  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.858  -7.265  -2.279  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.730  -4.467   0.960  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.956  -5.652   0.449  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.326  -3.021  -0.965  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.552  -4.206  -1.475  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.255  -1.129   1.678  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.481  -2.314   1.168  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.851   0.317  -0.246  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.078  -0.869  -0.756  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.787   2.230  -0.206  1.00  0.00           H  
HETATM   91  H   UNL     1     -11.057   3.089   0.443  1.00  0.00           H  
HETATM   92  H   UNL     1     -11.217   1.717   1.566  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.821   1.593   3.592  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.544   2.885   5.255  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.504   5.059   4.906  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.741   6.339   4.895  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.894   4.963   6.014  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.444   4.893   0.900  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.178   6.088   2.642  1.00  0.00           H  
HETATM  100  H   UNL     1     -10.578  -0.897   0.165  1.00  0.00           H  
HETATM  101  H   UNL     1     -11.824  -2.009  -1.638  1.00  0.00           H  
HETATM  102  H   UNL     1      -9.548   3.417  -1.506  1.00  0.00           H  
HETATM  103  H   UNL     1     -10.007   4.569  -3.602  1.00  0.00           H  
HETATM  104  H   UNL     1     -12.279  -0.858  -3.736  1.00  0.00           H  
HETATM  105  H   UNL     1     -12.062   1.175  -5.140  1.00  0.00           H  
HETATM  106  H   UNL     1     -11.258   3.459  -5.402  1.00  0.00           H  
HETATM  107  H   UNL     1       0.967  -4.088  -2.384  1.00  0.00           H  
HETATM  108  H   UNL     1      -0.295  -5.092  -3.137  1.00  0.00           H  
HETATM  109  H   UNL     1      -0.605  -4.297  -1.575  1.00  0.00           H  
HETATM  110  H   UNL     1       3.615   7.912   0.825  1.00  0.00           H  
HETATM  111  H   UNL     1       3.882   9.142  -0.288  1.00  0.00           H  
HETATM  112  H   UNL     1      -2.221  -5.173  -1.727  1.00  0.00           H  
HETATM  113  H   UNL     1      -5.746  -1.835  -1.009  1.00  0.00           H  
HETATM  114  H   UNL     1       8.901   4.400  -1.664  1.00  0.00           H  
HETATM  115  H   UNL     1      10.401  -1.552   0.059  1.00  0.00           H  
HETATM  116  H   UNL     1      13.013  -0.120  -0.986  1.00  0.00           H  
HETATM  117  H   UNL     1       6.923  -3.906   0.291  1.00  0.00           H  
HETATM  118  H   UNL     1       1.568  -2.369   1.396  1.00  0.00           H  
HETATM  119  H   UNL     1       0.510  -8.127   0.132  1.00  0.00           H  
CONECT    1    2   48    4   68                                       
CONECT    2   49    3    1   69                                       
CONECT    3    2   10   53   70                                       
CONECT    4    1   53   40   71                                       
CONECT    5   40   41   41   72                                       
CONECT    6   40   42   42    8                                       
CONECT    7   42   43   43   73                                       
CONECT    8    6   41    9    9                                       
CONECT    9    8    8   43   44                                       
CONECT   10    3   54   74   75                                       
CONECT   11   60   12   76   77                                       
CONECT   12   14   39   11   13                                       
CONECT   13   12   78   79   80                                       
CONECT   14   15   61   12   81                                       
CONECT   15   45   62   62   14                                       
CONECT   16   17   45   82   83                                       
CONECT   17   18   16   84   85                                       
CONECT   18   63   63   46   17                                       
CONECT   19   20   46   86   87                                       
CONECT   20   67   19   88   89                                       
CONECT   21   29   67   22   90                                       
CONECT   22   21   23   91   92                                       
CONECT   23   22   27   27   24                                       
CONECT   24   23   25   25   93                                       
CONECT   25   24   24   47   94                                       
CONECT   26   47   95   96   97                                       
CONECT   27   23   23   28   98                                       
CONECT   28   27   47   47   99                                       
CONECT   29   32   32   30   21                                       
CONECT   30   31   31   29  100                                       
CONECT   31   36   30   30  101                                       
CONECT   32   35   33   29   29                                       
CONECT   33   34   34   32  102                                       
CONECT   34   38   33   33  103                                       
CONECT   35   37   36   36   32                                       
CONECT   36   35   35   31  104                                       
CONECT   37   38   38   35  105                                       
CONECT   38   37   37   34  106                                       
CONECT   39   12  107  108  109                                       
CONECT   40    4    5    6                                            
CONECT   41    5    5    8                                            
CONECT   42    6    6    7                                            
CONECT   43    7    7    9                                            
CONECT   44    9  110  111                                            
CONECT   45   16   15  112                                            
CONECT   46   19   18  113                                            
CONECT   47   28   28   25   26                                       
CONECT   48    1  114                                                 
CONECT   49   64    2                                                 
CONECT   50   64   64                                                 
CONECT   51   64  115                                                 
CONECT   52   64  116                                                 
CONECT   53    3    4                                                 
CONECT   54   10   65                                                 
CONECT   55   65  117                                                 
CONECT   56   65   65                                                 
CONECT   57   66   65                                                 
CONECT   58   66  118                                                 
CONECT   59   66   66                                                 
CONECT   60   66   11                                                 
CONECT   61   14  119                                                 
CONECT   62   15   15                                                 
CONECT   63   18   18                                                 
CONECT   64   50   50   52   51                                       
CONECT   64   49                                                      
CONECT   65   54   57   56   56                                       
CONECT   65   55                                                      
CONECT   66   59   59   58   60                                       
CONECT   66   57                                                      
CONECT   67   21   20                                                 
CONECT   68    1                                                      
CONECT   69    2                                                      
CONECT   70    3                                                      
CONECT   71    4                                                      
CONECT   72    5                                                      
CONECT   73    7                                                      
CONECT   74   10                                                      
CONECT   75   10                                                      
CONECT   76   11                                                      
CONECT   77   11                                                      
CONECT   78   13                                                      
CONECT   79   13                                                      
CONECT   80   13                                                      
CONECT   81   14                                                      
CONECT   82   16                                                      
CONECT   83   16                                                      
CONECT   84   17                                                      
CONECT   85   17                                                      
CONECT   86   19                                                      
CONECT   87   19                                                      
CONECT   88   20                                                      
CONECT   89   20                                                      
CONECT   90   21                                                      
CONECT   91   22                                                      
CONECT   92   22                                                      
CONECT   93   24                                                      
CONECT   94   25                                                      
CONECT   95   26                                                      
CONECT   96   26                                                      
CONECT   97   26                                                      
CONECT   98   27                                                      
CONECT   99   28                                                      
CONECT  100   30                                                      
CONECT  101   31                                                      
CONECT  102   33                                                      
CONECT  103   34                                                      
CONECT  104   36                                                      
CONECT  105   37                                                      
CONECT  106   38                                                      
CONECT  107   39                                                      
CONECT  108   39                                                      
CONECT  109   39                                                      
CONECT  110   44                                                      
CONECT  111   44                                                      
CONECT  112   45                                                      
CONECT  113   46                                                      
CONECT  114   48                                                      
CONECT  115   51                                                      
CONECT  116   52                                                      
CONECT  117   55                                                      
CONECT  118   58                                                      
CONECT  119   61                                                      
MASTER        0    0    0    0    0    0    0    0  119    0  119    0
END
