COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1       0.610   1.158  -1.891  1.00  0.00           O  
HETATM    2  C   UNL     1       0.684   2.289  -1.467  1.00  0.00           C  
HETATM    3  O   UNL     1       1.826   2.938  -1.315  1.00  0.00           O  
HETATM    4  C   UNL     1       3.139   2.578  -1.731  1.00  0.00           C  
HETATM    5  C   UNL     1       3.201   1.477  -2.779  1.00  0.00           C  
HETATM    6  C   UNL     1       2.559   1.972  -4.076  1.00  0.00           C  
HETATM    7  C   UNL     1       4.031   2.247  -0.524  1.00  0.00           C  
HETATM    8  C   UNL     1       5.492   2.468  -0.943  1.00  0.00           C  
HETATM    9  C   UNL     1       3.839   0.816  -0.064  1.00  0.00           C  
HETATM   10  O   UNL     1       2.458   0.448  -0.111  1.00  0.00           O  
HETATM   11  C   UNL     1       4.377   0.519   1.332  1.00  0.00           C  
HETATM   12  C   UNL     1       4.455   1.743   2.230  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.607   2.994  -1.131  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.353   4.476  -0.855  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.428   2.346  -0.044  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.189   1.265  -0.611  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.331   1.688  -1.358  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.223   2.403  -0.501  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.684   1.649   0.622  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.604   2.521   1.479  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.456   0.423   0.130  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.868  -0.364   1.249  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.546  -0.414  -0.776  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.333  -1.600  -1.336  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.431  -0.893  -0.022  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.049   0.462  -1.930  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.714   1.862   1.206  1.00  0.00           C  
HETATM   28  C   UNL     1       0.662   2.476   1.395  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.683   0.340   1.259  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.160  -0.215   2.577  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.229  -1.188   3.128  1.00  0.00           C  
HETATM   32  O   UNL     1       0.008   0.814   3.550  1.00  0.00           O  
HETATM   33  C   UNL     1       1.129  -1.008   2.397  1.00  0.00           C  
HETATM   34  C   UNL     1       2.357  -0.224   2.865  1.00  0.00           C  
HETATM   35  C   UNL     1       2.700  -0.660   4.298  1.00  0.00           C  
HETATM   36  C   UNL     1       3.526  -0.550   1.972  1.00  0.00           C  
HETATM   37  O   UNL     1       3.795  -1.714   1.759  1.00  0.00           O  
HETATM   38  O   UNL     1       0.026  -0.196   0.148  1.00  0.00           O  
HETATM   39  C   UNL     1      -0.353  -1.530  -0.196  1.00  0.00           C  
HETATM   40  O   UNL     1      -0.222  -2.373   0.950  1.00  0.00           O  
HETATM   41  C   UNL     1      -0.603  -3.731   0.722  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.449  -4.529   2.018  1.00  0.00           C  
HETATM   43  C   UNL     1       0.296  -4.337  -0.360  1.00  0.00           C  
HETATM   44  C   UNL     1       0.182  -3.497  -1.636  1.00  0.00           C  
HETATM   45  N   UNL     1       1.098  -4.026  -2.655  1.00  0.00           N  
HETATM   46  C   UNL     1       2.475  -4.083  -2.147  1.00  0.00           C  
HETATM   47  C   UNL     1       0.656  -5.345  -3.127  1.00  0.00           C  
HETATM   48  C   UNL     1       0.555  -2.047  -1.315  1.00  0.00           C  
HETATM   49  O   UNL     1       0.383  -1.240  -2.481  1.00  0.00           O  
HETATM   50  H   UNL     1       3.597   3.482  -2.200  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.218   2.958  -2.066  1.00  0.00           H  
HETATM   52  H   UNL     1       4.241   1.212  -2.966  1.00  0.00           H  
HETATM   53  H   UNL     1       2.662   0.601  -2.418  1.00  0.00           H  
HETATM   54  H   UNL     1       3.774   2.970   0.252  1.00  0.00           H  
HETATM   55  H   UNL     1       2.603   1.183  -4.827  1.00  0.00           H  
HETATM   56  H   UNL     1       1.518   2.236  -3.889  1.00  0.00           H  
HETATM   57  H   UNL     1       3.097   2.848  -4.438  1.00  0.00           H  
HETATM   58  H   UNL     1       5.631   3.507  -1.242  1.00  0.00           H  
HETATM   59  H   UNL     1       6.149   2.241  -0.104  1.00  0.00           H  
HETATM   60  H   UNL     1       5.733   1.814  -1.781  1.00  0.00           H  
HETATM   61  H   UNL     1       4.380   0.149  -0.762  1.00  0.00           H  
HETATM   62  H   UNL     1       2.283  -0.459   0.175  1.00  0.00           H  
HETATM   63  H   UNL     1       5.395   0.108   1.223  1.00  0.00           H  
HETATM   64  H   UNL     1       3.459   2.170   2.351  1.00  0.00           H  
HETATM   65  H   UNL     1       4.846   1.454   3.206  1.00  0.00           H  
HETATM   66  H   UNL     1       5.115   2.484   1.779  1.00  0.00           H  
HETATM   67  H   UNL     1       0.084   4.941  -1.739  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.296   4.968  -0.615  1.00  0.00           H  
HETATM   69  H   UNL     1       0.333   4.577  -0.015  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.184   3.094   0.290  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.333   2.195   2.072  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.012   2.336  -2.174  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.897   0.786  -2.534  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.357  -0.109  -2.549  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.830   1.327   1.218  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.458   2.843   0.883  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.955   1.946   2.336  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.055   3.395   1.829  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.333   0.745  -0.431  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.444   0.105   1.869  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.182  -1.233  -1.914  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.685  -2.194  -1.980  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.693  -2.218  -0.514  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.893  -1.547  -0.488  1.00  0.00           H  
HETATM   85  H   UNL     1       0.569   3.559   1.471  1.00  0.00           H  
HETATM   86  H   UNL     1       1.112   2.085   2.307  1.00  0.00           H  
HETATM   87  H   UNL     1       1.292   2.225   0.542  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.734  -0.013   1.168  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.390  -1.994   2.413  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.886  -1.605   4.075  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.164  -0.650   3.285  1.00  0.00           H  
HETATM   92  H   UNL     1       0.340   0.499   4.402  1.00  0.00           H  
HETATM   93  H   UNL     1       1.058  -1.920   3.014  1.00  0.00           H  
HETATM   94  H   UNL     1       1.268  -1.329   1.371  1.00  0.00           H  
HETATM   95  H   UNL     1       2.146   0.837   2.856  1.00  0.00           H  
HETATM   96  H   UNL     1       2.915  -1.728   4.311  1.00  0.00           H  
HETATM   97  H   UNL     1       3.574  -0.109   4.646  1.00  0.00           H  
HETATM   98  H   UNL     1       1.854  -0.451   4.953  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.389  -1.537  -0.536  1.00  0.00           H  
HETATM  100  H   UNL     1       1.595  -2.001  -0.990  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.642  -3.767   0.394  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.088  -4.097   2.789  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.739  -5.565   1.844  1.00  0.00           H  
HETATM  104  H   UNL     1       0.590  -4.493   2.346  1.00  0.00           H  
HETATM  105  H   UNL     1       1.330  -4.338  -0.015  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.021  -5.359  -0.567  1.00  0.00           H  
HETATM  107  H   UNL     1      -0.841  -3.537  -2.009  1.00  0.00           H  
HETATM  108  H   UNL     1       2.513  -4.733  -1.273  1.00  0.00           H  
HETATM  109  H   UNL     1       3.132  -4.478  -2.922  1.00  0.00           H  
HETATM  110  H   UNL     1       2.802  -3.081  -1.870  1.00  0.00           H  
HETATM  111  H   UNL     1      -0.308  -5.247  -3.628  1.00  0.00           H  
HETATM  112  H   UNL     1       1.389  -5.745  -3.827  1.00  0.00           H  
HETATM  113  H   UNL     1       0.557  -6.020  -2.277  1.00  0.00           H  
HETATM  114  H   UNL     1       1.009  -0.506  -2.548  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   13                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    7   50                                       
CONECT    5    4    6   52   53                                       
CONECT    6    5   55   56   57                                       
CONECT    7    4    8    9   54                                       
CONECT    8    7   58   59   60                                       
CONECT    9    7   10   11   61                                       
CONECT   10    9   62                                                 
CONECT   11    9   12   36   63                                       
CONECT   12   11   64   65   66                                       
CONECT   13    2   14   15   51                                       
CONECT   14   13   67   68   69                                       
CONECT   15   13   16   27   70                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   26   72                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   21   75                                       
CONECT   20   19   76   77   78                                       
CONECT   21   19   22   23   79                                       
CONECT   22   21   80                                                 
CONECT   23   21   24   25   26                                       
CONECT   24   23   81   82   83                                       
CONECT   25   23   84                                                 
CONECT   26   17   23   73   74                                       
CONECT   27   15   28   29   71                                       
CONECT   28   27   85   86   87                                       
CONECT   29   27   30   38   88                                       
CONECT   30   29   31   32   33                                       
CONECT   31   30   89   90   91                                       
CONECT   32   30   92                                                 
CONECT   33   30   34   93   94                                       
CONECT   34   33   35   36   95                                       
CONECT   35   34   96   97   98                                       
CONECT   36   11   34   37   37                                       
CONECT   37   36   36                                                 
CONECT   38   29   39                                                 
CONECT   39   38   40   48   99                                       
CONECT   40   39   41                                                 
CONECT   41   40   42   43  101                                       
CONECT   42   41  102  103  104                                       
CONECT   43   41   44  105  106                                       
CONECT   44   43   45   48  107                                       
CONECT   45   44   46   47                                            
CONECT   46   45  108  109  110                                       
CONECT   47   45  111  112  113                                       
CONECT   48   39   44   49  100                                       
CONECT   49   48  114                                                 
CONECT   50    4                                                      
CONECT   51   13                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    7                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   14                                                      
CONECT   68   14                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   27                                                      
CONECT   72   17                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   19                                                      
CONECT   76   20                                                      
CONECT   77   20                                                      
CONECT   78   20                                                      
CONECT   79   21                                                      
CONECT   80   22                                                      
CONECT   81   24                                                      
CONECT   82   24                                                      
CONECT   83   24                                                      
CONECT   84   25                                                      
CONECT   85   28                                                      
CONECT   86   28                                                      
CONECT   87   28                                                      
CONECT   88   29                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   31                                                      
CONECT   92   32                                                      
CONECT   93   33                                                      
CONECT   94   33                                                      
CONECT   95   34                                                      
CONECT   96   35                                                      
CONECT   97   35                                                      
CONECT   98   35                                                      
CONECT   99   39                                                      
CONECT  100   48                                                      
CONECT  101   41                                                      
CONECT  102   42                                                      
CONECT  103   42                                                      
CONECT  104   42                                                      
CONECT  105   43                                                      
CONECT  106   43                                                      
CONECT  107   44                                                      
CONECT  108   46                                                      
CONECT  109   46                                                      
CONECT  110   46                                                      
CONECT  111   47                                                      
CONECT  112   47                                                      
CONECT  113   47                                                      
CONECT  114   49                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
