COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.402  -1.735  -3.322  1.00  0.00           O  
HETATM    2  C   UNL     1       4.536  -1.431  -2.975  1.00  0.00           C  
HETATM    3  O   UNL     1       4.932  -0.222  -2.483  1.00  0.00           O  
HETATM    4  C   UNL     1       4.194   0.909  -2.956  1.00  0.00           C  
HETATM    5  C   UNL     1       4.729   2.176  -2.298  1.00  0.00           C  
HETATM    6  C   UNL     1       4.301   0.989  -4.476  1.00  0.00           C  
HETATM    7  C   UNL     1       3.649   2.239  -5.020  1.00  0.00           C  
HETATM    8  C   UNL     1       4.043   3.574  -4.372  1.00  0.00           C  
HETATM    9  C   UNL     1       3.029   4.717  -4.778  1.00  0.00           C  
HETATM   10  C   UNL     1       3.445   6.135  -4.297  1.00  0.00           C  
HETATM   11  C   UNL     1       2.507   7.256  -4.777  1.00  0.00           C  
HETATM   12  C   UNL     1       2.307   7.208  -6.298  1.00  0.00           C  
HETATM   13  C   UNL     1       3.638   7.547  -7.016  1.00  0.00           C  
HETATM   14  C   UNL     1       1.148   8.087  -6.828  1.00  0.00           C  
HETATM   15  C   UNL     1       1.430   9.576  -6.964  1.00  0.00           C  
HETATM   16  C   UNL     1       0.211  10.371  -7.478  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.070  10.254  -6.641  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.263  11.004  -7.242  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.529  10.945  -6.365  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.294  11.494  -4.957  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.031   9.501  -6.276  1.00  0.00           C  
HETATM   22  C   UNL     1       1.875  10.153  -5.614  1.00  0.00           C  
HETATM   23  C   UNL     1       0.768   7.421  -8.172  1.00  0.00           C  
HETATM   24  C   UNL     1       1.273   5.968  -8.092  1.00  0.00           C  
HETATM   25  C   UNL     1       1.742   5.817  -6.648  1.00  0.00           C  
HETATM   26  C   UNL     1       2.696   4.670  -6.298  1.00  0.00           C  
HETATM   27  C   UNL     1       2.073   3.314  -6.661  1.00  0.00           C  
HETATM   28  C   UNL     1       2.761   2.149  -6.026  1.00  0.00           C  
HETATM   29  C   UNL     1       5.485   3.915  -4.821  1.00  0.00           C  
HETATM   30  C   UNL     1       4.009   3.418  -2.823  1.00  0.00           C  
HETATM   31  C   UNL     1       5.713  -2.373  -3.036  1.00  0.00           C  
HETATM   32  C   UNL     1       5.601  -3.360  -4.195  1.00  0.00           C  
HETATM   33  C   UNL     1       5.601  -2.659  -5.557  1.00  0.00           C  
HETATM   34  C   UNL     1       5.483  -3.627  -6.738  1.00  0.00           C  
HETATM   35  C   UNL     1       5.420  -2.977  -8.124  1.00  0.00           C  
HETATM   36  C   UNL     1       4.257  -1.991  -8.279  1.00  0.00           C  
HETATM   37  C   UNL     1       4.195  -1.345  -9.668  1.00  0.00           C  
HETATM   38  C   UNL     1       3.104  -0.320  -9.794  1.00  0.00           C  
HETATM   39  C   UNL     1       3.329   0.978 -10.045  1.00  0.00           C  
HETATM   40  C   UNL     1       4.698   1.567 -10.232  1.00  0.00           C  
HETATM   41  C   UNL     1       4.684   3.081 -10.470  1.00  0.00           C  
HETATM   42  C   UNL     1       6.084   3.681 -10.642  1.00  0.00           C  
HETATM   43  C   UNL     1       6.013   5.186 -10.909  1.00  0.00           C  
HETATM   44  C   UNL     1       7.380   5.825 -11.176  1.00  0.00           C  
HETATM   45  C   UNL     1       7.365   7.314 -11.535  1.00  0.00           C  
HETATM   46  C   UNL     1       8.750   7.878 -11.853  1.00  0.00           C  
HETATM   47  C   UNL     1       8.693   9.375 -12.115  1.00  0.00           C  
HETATM   48  H   UNL     1       3.148   0.757  -2.665  1.00  0.00           H  
HETATM   49  H   UNL     1       5.811   2.262  -2.459  1.00  0.00           H  
HETATM   50  H   UNL     1       4.602   2.105  -1.211  1.00  0.00           H  
HETATM   51  H   UNL     1       3.859   0.081  -4.908  1.00  0.00           H  
HETATM   52  H   UNL     1       5.354   0.961  -4.782  1.00  0.00           H  
HETATM   53  H   UNL     1       2.081   4.502  -4.258  1.00  0.00           H  
HETATM   54  H   UNL     1       4.460   6.371  -4.630  1.00  0.00           H  
HETATM   55  H   UNL     1       3.470   6.161  -3.202  1.00  0.00           H  
HETATM   56  H   UNL     1       1.543   7.148  -4.265  1.00  0.00           H  
HETATM   57  H   UNL     1       2.912   8.228  -4.471  1.00  0.00           H  
HETATM   58  H   UNL     1       3.915   6.747  -7.709  1.00  0.00           H  
HETATM   59  H   UNL     1       3.542   8.477  -7.584  1.00  0.00           H  
HETATM   60  H   UNL     1       4.446   7.668  -6.289  1.00  0.00           H  
HETATM   61  H   UNL     1       0.288   7.981  -6.150  1.00  0.00           H  
HETATM   62  H   UNL     1       2.266   9.713  -7.663  1.00  0.00           H  
HETATM   63  H   UNL     1       0.480  11.433  -7.553  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.023  10.043  -8.499  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.308   9.187  -6.564  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.886  10.603  -5.619  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.483  10.600  -8.239  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.993  12.057  -7.380  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.315  11.545  -6.841  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.463  10.978  -4.463  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.187  11.366  -4.336  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.068  12.564  -4.978  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.286   8.850  -5.805  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.952   9.444  -5.687  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.249   9.102  -7.272  1.00  0.00           H  
HETATM   76  H   UNL     1       1.878   9.381  -4.836  1.00  0.00           H  
HETATM   77  H   UNL     1       1.200  10.954  -5.294  1.00  0.00           H  
HETATM   78  H   UNL     1       2.884  10.573  -5.679  1.00  0.00           H  
HETATM   79  H   UNL     1       1.227   7.928  -9.028  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.317   7.452  -8.318  1.00  0.00           H  
HETATM   81  H   UNL     1       0.480   5.257  -8.342  1.00  0.00           H  
HETATM   82  H   UNL     1       2.095   5.810  -8.800  1.00  0.00           H  
HETATM   83  H   UNL     1       0.829   5.658  -6.049  1.00  0.00           H  
HETATM   84  H   UNL     1       3.619   4.777  -6.879  1.00  0.00           H  
HETATM   85  H   UNL     1       2.100   3.188  -7.750  1.00  0.00           H  
HETATM   86  H   UNL     1       1.016   3.282  -6.365  1.00  0.00           H  
HETATM   87  H   UNL     1       2.506   1.173  -6.430  1.00  0.00           H  
HETATM   88  H   UNL     1       5.942   4.632  -4.133  1.00  0.00           H  
HETATM   89  H   UNL     1       6.105   3.014  -4.842  1.00  0.00           H  
HETATM   90  H   UNL     1       5.481   4.354  -5.823  1.00  0.00           H  
HETATM   91  H   UNL     1       2.966   3.370  -2.482  1.00  0.00           H  
HETATM   92  H   UNL     1       4.450   4.298  -2.340  1.00  0.00           H  
HETATM   93  H   UNL     1       5.767  -2.909  -2.081  1.00  0.00           H  
HETATM   94  H   UNL     1       6.632  -1.782  -3.114  1.00  0.00           H  
HETATM   95  H   UNL     1       4.691  -3.959  -4.079  1.00  0.00           H  
HETATM   96  H   UNL     1       6.450  -4.053  -4.149  1.00  0.00           H  
HETATM   97  H   UNL     1       6.539  -2.100  -5.668  1.00  0.00           H  
HETATM   98  H   UNL     1       4.796  -1.917  -5.604  1.00  0.00           H  
HETATM   99  H   UNL     1       6.337  -4.315  -6.708  1.00  0.00           H  
HETATM  100  H   UNL     1       4.586  -4.245  -6.603  1.00  0.00           H  
HETATM  101  H   UNL     1       6.364  -2.443  -8.290  1.00  0.00           H  
HETATM  102  H   UNL     1       5.369  -3.754  -8.894  1.00  0.00           H  
HETATM  103  H   UNL     1       3.303  -2.490  -8.071  1.00  0.00           H  
HETATM  104  H   UNL     1       4.369  -1.193  -7.535  1.00  0.00           H  
HETATM  105  H   UNL     1       4.046  -2.116 -10.433  1.00  0.00           H  
HETATM  106  H   UNL     1       5.169  -0.885  -9.878  1.00  0.00           H  
HETATM  107  H   UNL     1       2.080  -0.671  -9.688  1.00  0.00           H  
HETATM  108  H   UNL     1       2.485   1.661 -10.100  1.00  0.00           H  
HETATM  109  H   UNL     1       5.201   1.089 -11.082  1.00  0.00           H  
HETATM  110  H   UNL     1       5.303   1.337  -9.346  1.00  0.00           H  
HETATM  111  H   UNL     1       4.100   3.276 -11.378  1.00  0.00           H  
HETATM  112  H   UNL     1       4.164   3.584  -9.645  1.00  0.00           H  
HETATM  113  H   UNL     1       6.674   3.495  -9.738  1.00  0.00           H  
HETATM  114  H   UNL     1       6.596   3.186 -11.475  1.00  0.00           H  
HETATM  115  H   UNL     1       5.522   5.691 -10.070  1.00  0.00           H  
HETATM  116  H   UNL     1       5.379   5.365 -11.787  1.00  0.00           H  
HETATM  117  H   UNL     1       8.013   5.689 -10.291  1.00  0.00           H  
HETATM  118  H   UNL     1       7.866   5.270 -11.989  1.00  0.00           H  
HETATM  119  H   UNL     1       6.689   7.490 -12.380  1.00  0.00           H  
HETATM  120  H   UNL     1       6.941   7.863 -10.685  1.00  0.00           H  
HETATM  121  H   UNL     1       9.165   7.386 -12.738  1.00  0.00           H  
HETATM  122  H   UNL     1       9.433   7.684 -11.018  1.00  0.00           H  
HETATM  123  H   UNL     1       8.317   9.913 -11.239  1.00  0.00           H  
HETATM  124  H   UNL     1       9.693   9.757 -12.345  1.00  0.00           H  
HETATM  125  H   UNL     1       8.040   9.600 -12.964  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   31    3                                       
CONECT    3    2    4                                                 
CONECT    4    3    6    5   48                                       
CONECT    5    4   30   49   50                                       
CONECT    6    4    7   51   52                                       
CONECT    7    6   28   28    8                                       
CONECT    8    7   30   29    9                                       
CONECT    9    8   26   10   53                                       
CONECT   10    9   11   54   55                                       
CONECT   11   10   12   56   57                                       
CONECT   12   11   25   13   14                                       
CONECT   13   12   58   59   60                                       
CONECT   14   12   23   15   61                                       
CONECT   15   14   22   16   62                                       
CONECT   16   15   17   63   64                                       
CONECT   17   16   18   65   66                                       
CONECT   18   17   19   67   68                                       
CONECT   19   18   20   21   69                                       
CONECT   20   19   70   71   72                                       
CONECT   21   19   73   74   75                                       
CONECT   22   15   76   77   78                                       
CONECT   23   14   24   79   80                                       
CONECT   24   23   25   81   82                                       
CONECT   25   12   24   26   83                                       
CONECT   26    9   25   27   84                                       
CONECT   27   26   28   85   86                                       
CONECT   28    7    7   27   87                                       
CONECT   29    8   88   89   90                                       
CONECT   30    5    8   91   92                                       
CONECT   31    2   32   93   94                                       
CONECT   32   31   33   95   96                                       
CONECT   33   32   34   97   98                                       
CONECT   34   33   35   99  100                                       
CONECT   35   34   36  101  102                                       
CONECT   36   35   37  103  104                                       
CONECT   37   36   38  105  106                                       
CONECT   38   37   39   39  107                                       
CONECT   39   38   38   40  108                                       
CONECT   40   39   41  109  110                                       
CONECT   41   40   42  111  112                                       
CONECT   42   41   43  113  114                                       
CONECT   43   42   44  115  116                                       
CONECT   44   43   45  117  118                                       
CONECT   45   44   46  119  120                                       
CONECT   46   45   47  121  122                                       
CONECT   47   46  123  124  125                                       
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   22                                                      
CONECT   77   22                                                      
CONECT   78   22                                                      
CONECT   79   23                                                      
CONECT   80   23                                                      
CONECT   81   24                                                      
CONECT   82   24                                                      
CONECT   83   25                                                      
CONECT   84   26                                                      
CONECT   85   27                                                      
CONECT   86   27                                                      
CONECT   87   28                                                      
CONECT   88   29                                                      
CONECT   89   29                                                      
CONECT   90   29                                                      
CONECT   91   30                                                      
CONECT   92   30                                                      
CONECT   93   31                                                      
CONECT   94   31                                                      
CONECT   95   32                                                      
CONECT   96   32                                                      
CONECT   97   33                                                      
CONECT   98   33                                                      
CONECT   99   34                                                      
CONECT  100   34                                                      
CONECT  101   35                                                      
CONECT  102   35                                                      
CONECT  103   36                                                      
CONECT  104   36                                                      
CONECT  105   37                                                      
CONECT  106   37                                                      
CONECT  107   38                                                      
CONECT  108   39                                                      
CONECT  109   40                                                      
CONECT  110   40                                                      
CONECT  111   41                                                      
CONECT  112   41                                                      
CONECT  113   42                                                      
CONECT  114   42                                                      
CONECT  115   43                                                      
CONECT  116   43                                                      
CONECT  117   44                                                      
CONECT  118   44                                                      
CONECT  119   45                                                      
CONECT  120   45                                                      
CONECT  121   46                                                      
CONECT  122   46                                                      
CONECT  123   47                                                      
CONECT  124   47                                                      
CONECT  125   47                                                      
MASTER        0    0    0    0    0    0    0    0  125    0  125    0
END
