COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.944  -1.991  -3.731  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.873  -1.122  -4.339  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.425  -0.074  -3.318  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.230   0.701  -3.874  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.835   1.801  -2.886  1.00  0.00           C  
HETATM    6  C   UNL     1       0.380   2.555  -3.436  1.00  0.00           C  
HETATM    7  C   UNL     1       0.059   3.034  -4.856  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.394   1.834  -5.695  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.675   2.287  -7.101  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.366   1.567  -8.141  1.00  0.00           C  
HETATM   11  C   UNL     1       0.299   0.224  -7.989  1.00  0.00           C  
HETATM   12  C   UNL     1       0.188  -0.224  -6.529  1.00  0.00           C  
HETATM   13  C   UNL     1       1.065  -1.457  -6.302  1.00  0.00           C  
HETATM   14  C   UNL     1       1.099  -1.784  -4.831  1.00  0.00           C  
HETATM   15  C   UNL     1       2.220  -1.672  -4.161  1.00  0.00           C  
HETATM   16  C   UNL     1       2.255  -2.000  -2.691  1.00  0.00           C  
HETATM   17  C   UNL     1       3.255  -3.145  -2.419  1.00  0.00           C  
HETATM   18  C   UNL     1       3.903  -2.765  -1.068  1.00  0.00           C  
HETATM   19  C   UNL     1       3.222  -1.435  -0.691  1.00  0.00           C  
HETATM   20  C   UNL     1       4.236  -0.496  -0.042  1.00  0.00           C  
HETATM   21  C   UNL     1       3.550   0.842   0.246  1.00  0.00           C  
HETATM   22  C   UNL     1       2.272   0.587   1.056  1.00  0.00           C  
HETATM   23  C   UNL     1       1.403  -0.450   0.340  1.00  0.00           C  
HETATM   24  C   UNL     1       0.155  -0.746   1.190  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.438   0.596   1.607  1.00  0.00           C  
HETATM   26  C   UNL     1       0.519   1.645   2.129  1.00  0.00           C  
HETATM   27  C   UNL     1       1.113   1.181   3.461  1.00  0.00           C  
HETATM   28  C   UNL     1       0.009   1.125   4.519  1.00  0.00           C  
HETATM   29  C   UNL     1       0.602   0.661   5.851  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.501   0.605   6.909  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.158   1.981   7.035  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.281   1.908   8.075  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.708   1.338   9.377  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.014   0.007   9.075  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.467  -0.583  10.378  1.00  0.00           C  
HETATM   36  C   UNL     1       0.255  -1.898  10.064  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.701  -2.810   9.287  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.234  -2.051   8.069  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.114   3.008   7.480  1.00  0.00           C  
HETATM   40  C   UNL     1       1.215  -0.729   5.679  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.725   0.827   1.520  1.00  0.00           C  
HETATM   42  C   UNL     1       0.486  -2.643  -7.075  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.681   2.085  -9.521  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.428  -0.421  -5.580  1.00  0.00           C  
HETATM   45  O   UNL     1      -3.769  -3.182  -3.626  1.00  0.00           O  
HETATM   46  O   UNL     1      -5.093  -1.441  -3.306  1.00  0.00           O  
HETATM   47  O   UNL     1      -1.756  -1.933  -4.710  1.00  0.00           O  
HETATM   48  O   UNL     1      -1.583   1.281  -5.127  1.00  0.00           O  
HETATM   49  O   UNL     1       1.226   3.615  -5.441  1.00  0.00           O  
HETATM   50  O   UNL     1       0.631   0.842  -5.685  1.00  0.00           O  
HETATM   51  O   UNL     1       2.762  -0.877  -1.936  1.00  0.00           O  
HETATM   52  O   UNL     1       2.128  -1.671   0.180  1.00  0.00           O  
HETATM   53  O   UNL     1       1.565   1.823   1.175  1.00  0.00           O  
HETATM   54  O   UNL     1      -0.797  -1.474   0.412  1.00  0.00           O  
HETATM   55  O   UNL     1       2.125   2.100   3.877  1.00  0.00           O  
HETATM   56  O   UNL     1       0.063   0.224   8.165  1.00  0.00           O  
HETATM   57  O   UNL     1      -1.954  -0.896   8.496  1.00  0.00           O  
HETATM   58  H   UNL     1      -2.137  -0.570  -2.391  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.246   0.614  -3.121  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.390   0.020  -4.013  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.667   2.493  -2.759  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.582   1.354  -1.924  1.00  0.00           H  
HETATM   63  H   UNL     1       0.596   3.414  -2.801  1.00  0.00           H  
HETATM   64  H   UNL     1       1.242   1.889  -3.461  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.738   3.776  -4.820  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.149   3.246  -7.253  1.00  0.00           H  
HETATM   67  H   UNL     1       1.350   0.304  -8.267  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.195  -0.503  -8.633  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.849  -0.465  -6.298  1.00  0.00           H  
HETATM   70  H   UNL     1       2.076  -1.253  -6.653  1.00  0.00           H  
HETATM   71  H   UNL     1       0.201  -2.112  -4.329  1.00  0.00           H  
HETATM   72  H   UNL     1       3.118  -1.344  -4.663  1.00  0.00           H  
HETATM   73  H   UNL     1       1.259  -2.274  -2.341  1.00  0.00           H  
HETATM   74  H   UNL     1       4.008  -3.189  -3.205  1.00  0.00           H  
HETATM   75  H   UNL     1       2.731  -4.098  -2.337  1.00  0.00           H  
HETATM   76  H   UNL     1       4.977  -2.625  -1.185  1.00  0.00           H  
HETATM   77  H   UNL     1       3.695  -3.527  -0.317  1.00  0.00           H  
HETATM   78  H   UNL     1       5.075  -0.339  -0.720  1.00  0.00           H  
HETATM   79  H   UNL     1       4.593  -0.933   0.890  1.00  0.00           H  
HETATM   80  H   UNL     1       3.293   1.330  -0.694  1.00  0.00           H  
HETATM   81  H   UNL     1       4.223   1.481   0.818  1.00  0.00           H  
HETATM   82  H   UNL     1       2.535   0.220   2.048  1.00  0.00           H  
HETATM   83  H   UNL     1       1.101  -0.071  -0.635  1.00  0.00           H  
HETATM   84  H   UNL     1       0.437  -1.329   2.067  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.010   2.586   2.273  1.00  0.00           H  
HETATM   86  H   UNL     1       1.549   0.190   3.339  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.763   0.424   4.202  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.427   2.116   4.642  1.00  0.00           H  
HETATM   89  H   UNL     1       1.374   1.362   6.169  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.251  -0.128   6.612  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.571   2.277   6.071  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.678   2.907   8.256  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.076   1.257   7.709  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.986   2.040   9.795  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.516   1.175  10.090  1.00  0.00           H  
HETATM   96  H   UNL     1       0.233   0.118  10.831  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.290  -0.774  11.066  1.00  0.00           H  
HETATM   98  H   UNL     1       1.138  -1.695   9.459  1.00  0.00           H  
HETATM   99  H   UNL     1       0.549  -2.385  10.994  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.168  -3.701   8.956  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.533  -3.098   9.930  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.399  -1.745   7.439  1.00  0.00           H  
HETATM  103  H   UNL     1      -1.898  -2.701   7.499  1.00  0.00           H  
HETATM  104  H   UNL     1      -0.568   3.998   7.511  1.00  0.00           H  
HETATM  105  H   UNL     1       0.252   2.745   8.473  1.00  0.00           H  
HETATM  106  H   UNL     1       0.716   3.010   6.775  1.00  0.00           H  
HETATM  107  H   UNL     1       0.467  -1.408   5.270  1.00  0.00           H  
HETATM  108  H   UNL     1       2.064  -0.671   4.999  1.00  0.00           H  
HETATM  109  H   UNL     1       1.551  -1.100   6.648  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.387   0.060   1.149  1.00  0.00           H  
HETATM  111  H   UNL     1      -2.122   1.785   1.821  1.00  0.00           H  
HETATM  112  H   UNL     1      -0.525  -2.847  -6.724  1.00  0.00           H  
HETATM  113  H   UNL     1       0.461  -2.406  -8.139  1.00  0.00           H  
HETATM  114  H   UNL     1       1.111  -3.522  -6.913  1.00  0.00           H  
HETATM  115  H   UNL     1      -1.157   3.062  -9.442  1.00  0.00           H  
HETATM  116  H   UNL     1       0.241   2.176 -10.094  1.00  0.00           H  
HETATM  117  H   UNL     1      -1.355   1.392 -10.025  1.00  0.00           H  
HETATM  118  H   UNL     1      -4.151   0.335  -5.276  1.00  0.00           H  
HETATM  119  H   UNL     1      -2.612   0.054  -6.124  1.00  0.00           H  
HETATM  120  H   UNL     1      -3.916  -1.153  -6.223  1.00  0.00           H  
HETATM  121  H   UNL     1      -5.780  -1.998  -2.916  1.00  0.00           H  
HETATM  122  H   UNL     1      -1.437  -2.356  -3.901  1.00  0.00           H  
HETATM  123  H   UNL     1       1.480   4.359  -4.877  1.00  0.00           H  
HETATM  124  H   UNL     1      -1.559  -1.637   0.985  1.00  0.00           H  
HETATM  125  H   UNL     1       1.716   2.976   3.898  1.00  0.00           H  
CONECT    1    2   45   45   46                                       
CONECT    2    1    3   44   47                                       
CONECT    3    2    4   58   59                                       
CONECT    4    3    5   48   60                                       
CONECT    5    4    6   61   62                                       
CONECT    6    5    7   63   64                                       
CONECT    7    6    8   49   65                                       
CONECT    8    7    9   48   50                                       
CONECT    9    8   10   10   66                                       
CONECT   10    9    9   11   43                                       
CONECT   11   10   12   67   68                                       
CONECT   12   11   13   50   69                                       
CONECT   13   12   14   42   70                                       
CONECT   14   13   15   15   71                                       
CONECT   15   14   14   16   72                                       
CONECT   16   15   17   51   73                                       
CONECT   17   16   18   74   75                                       
CONECT   18   17   19   76   77                                       
CONECT   19   18   20   51   52                                       
CONECT   20   19   21   78   79                                       
CONECT   21   20   22   80   81                                       
CONECT   22   21   23   53   82                                       
CONECT   23   22   24   52   83                                       
CONECT   24   23   25   54   84                                       
CONECT   25   24   26   41   41                                       
CONECT   26   25   27   53   85                                       
CONECT   27   26   28   55   86                                       
CONECT   28   27   29   87   88                                       
CONECT   29   28   30   40   89                                       
CONECT   30   29   31   56   90                                       
CONECT   31   30   32   39   91                                       
CONECT   32   31   33   92   93                                       
CONECT   33   32   34   94   95                                       
CONECT   34   33   35   56   57                                       
CONECT   35   34   36   96   97                                       
CONECT   36   35   37   98   99                                       
CONECT   37   36   38  100  101                                       
CONECT   38   37   57  102  103                                       
CONECT   39   31  104  105  106                                       
CONECT   40   29  107  108  109                                       
CONECT   41   25   25  110  111                                       
CONECT   42   13  112  113  114                                       
CONECT   43   10  115  116  117                                       
CONECT   44    2  118  119  120                                       
CONECT   45    1    1                                                 
CONECT   46    1  121                                                 
CONECT   47    2  122                                                 
CONECT   48    4    8                                                 
CONECT   49    7  123                                                 
CONECT   50    8   12                                                 
CONECT   51   16   19                                                 
CONECT   52   19   23                                                 
CONECT   53   22   26                                                 
CONECT   54   24  124                                                 
CONECT   55   27  125                                                 
CONECT   56   30   34                                                 
CONECT   57   34   38                                                 
CONECT   58    3                                                      
CONECT   59    3                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    5                                                      
CONECT   63    6                                                      
CONECT   64    6                                                      
CONECT   65    7                                                      
CONECT   66    9                                                      
CONECT   67   11                                                      
CONECT   68   11                                                      
CONECT   69   12                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   16                                                      
CONECT   74   17                                                      
CONECT   75   17                                                      
CONECT   76   18                                                      
CONECT   77   18                                                      
CONECT   78   20                                                      
CONECT   79   20                                                      
CONECT   80   21                                                      
CONECT   81   21                                                      
CONECT   82   22                                                      
CONECT   83   23                                                      
CONECT   84   24                                                      
CONECT   85   26                                                      
CONECT   86   27                                                      
CONECT   87   28                                                      
CONECT   88   28                                                      
CONECT   89   29                                                      
CONECT   90   30                                                      
CONECT   91   31                                                      
CONECT   92   32                                                      
CONECT   93   32                                                      
CONECT   94   33                                                      
CONECT   95   33                                                      
CONECT   96   35                                                      
CONECT   97   35                                                      
CONECT   98   36                                                      
CONECT   99   36                                                      
CONECT  100   37                                                      
CONECT  101   37                                                      
CONECT  102   38                                                      
CONECT  103   38                                                      
CONECT  104   39                                                      
CONECT  105   39                                                      
CONECT  106   39                                                      
CONECT  107   40                                                      
CONECT  108   40                                                      
CONECT  109   40                                                      
CONECT  110   41                                                      
CONECT  111   41                                                      
CONECT  112   42                                                      
CONECT  113   42                                                      
CONECT  114   42                                                      
CONECT  115   43                                                      
CONECT  116   43                                                      
CONECT  117   43                                                      
CONECT  118   44                                                      
CONECT  119   44                                                      
CONECT  120   44                                                      
CONECT  121   46                                                      
CONECT  122   47                                                      
CONECT  123   49                                                      
CONECT  124   54                                                      
CONECT  125   55                                                      
MASTER        0    0    0    0    0    0    0    0  125    0  125    0
END
