COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.010  -0.897   0.507  1.00  0.00           C  
HETATM    2  O   UNL     1       6.353  -1.684  -0.144  1.00  0.00           O  
HETATM    3  O   UNL     1       8.292  -0.653   0.175  1.00  0.00           O  
HETATM    4  C   UNL     1       8.822  -1.367  -0.972  1.00  0.00           C  
HETATM    5  C   UNL     1      10.259  -0.970  -1.190  1.00  0.00           C  
HETATM    6  C   UNL     1      11.274  -1.677  -0.573  1.00  0.00           C  
HETATM    7  C   UNL     1      12.592  -1.312  -0.773  1.00  0.00           C  
HETATM    8  C   UNL     1      12.896  -0.241  -1.591  1.00  0.00           C  
HETATM    9  C   UNL     1      11.882   0.466  -2.209  1.00  0.00           C  
HETATM   10  C   UNL     1      10.564   0.099  -2.013  1.00  0.00           C  
HETATM   11  N   UNL     1       6.454  -0.263   1.559  1.00  0.00           N  
HETATM   12  C   UNL     1       5.029  -0.438   1.850  1.00  0.00           C  
HETATM   13  C   UNL     1       4.220   0.492   0.983  1.00  0.00           C  
HETATM   14  O   UNL     1       4.779   1.229   0.199  1.00  0.00           O  
HETATM   15  C   UNL     1       4.767  -0.119   3.324  1.00  0.00           C  
HETATM   16  C   UNL     1       5.457  -1.142   4.190  1.00  0.00           C  
HETATM   17  O   UNL     1       6.005  -2.092   3.683  1.00  0.00           O  
HETATM   18  O   UNL     1       5.462  -0.997   5.524  1.00  0.00           O  
HETATM   19  N   UNL     1       2.876   0.505   1.079  1.00  0.00           N  
HETATM   20  C   UNL     1       2.090   1.409   0.236  1.00  0.00           C  
HETATM   21  C   UNL     1       0.771   1.699   0.905  1.00  0.00           C  
HETATM   22  O   UNL     1       0.512   1.199   1.979  1.00  0.00           O  
HETATM   23  C   UNL     1       1.840   0.752  -1.122  1.00  0.00           C  
HETATM   24  C   UNL     1       3.172   0.571  -1.854  1.00  0.00           C  
HETATM   25  C   UNL     1       2.926  -0.076  -3.192  1.00  0.00           C  
HETATM   26  O   UNL     1       1.801  -0.364  -3.527  1.00  0.00           O  
HETATM   27  O   UNL     1       3.956  -0.334  -4.013  1.00  0.00           O  
HETATM   28  N   UNL     1      -0.122   2.513   0.308  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.350   2.893   1.010  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.476   3.028   0.017  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.236   3.054  -1.172  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.138   4.229   1.724  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.413   4.615   2.477  1.00  0.00           C  
HETATM   34  C   UNL     1       0.020   4.099   2.716  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.540   2.036  -0.684  1.00  0.00           C  
HETATM   36  N   UNL     1      -4.802   3.144  -0.474  1.00  0.00           N  
HETATM   37  O   UNL     1      -6.392   2.029  -1.547  1.00  0.00           O  
HETATM   38  N   UNL     1      -3.749   3.119   0.449  1.00  0.00           N  
HETATM   39  C   UNL     1      -5.101   4.373  -1.212  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.097   5.195  -0.435  1.00  0.00           C  
HETATM   41  O   UNL     1      -6.521   6.372  -0.922  1.00  0.00           O  
HETATM   42  O   UNL     1      -6.515   4.795   0.626  1.00  0.00           O  
HETATM   43  C   UNL     1      -5.307   0.805   0.155  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.366  -0.248  -0.180  1.00  0.00           C  
HETATM   45  O   UNL     1      -7.650   0.218   0.237  1.00  0.00           O  
HETATM   46  C   UNL     1      -6.040  -1.533   0.537  1.00  0.00           C  
HETATM   47  N   UNL     1      -5.499  -2.565  -0.141  1.00  0.00           N  
HETATM   48  O   UNL     1      -6.264  -1.638   1.724  1.00  0.00           O  
HETATM   49  C   UNL     1      -5.346  -2.485  -1.596  1.00  0.00           C  
HETATM   50  C   UNL     1      -5.065  -3.766   0.577  1.00  0.00           C  
HETATM   51  C   UNL     1      -6.208  -4.745   0.655  1.00  0.00           C  
HETATM   52  C   UNL     1      -6.383  -5.685  -0.343  1.00  0.00           C  
HETATM   53  C   UNL     1      -7.432  -6.583  -0.271  1.00  0.00           C  
HETATM   54  C   UNL     1      -8.306  -6.540   0.800  1.00  0.00           C  
HETATM   55  C   UNL     1      -8.130  -5.601   1.798  1.00  0.00           C  
HETATM   56  C   UNL     1      -7.079  -4.706   1.728  1.00  0.00           C  
HETATM   57  C   UNL     1      -3.960  -1.994  -1.928  1.00  0.00           C  
HETATM   58  C   UNL     1      -2.934  -2.900  -2.125  1.00  0.00           C  
HETATM   59  C   UNL     1      -1.664  -2.450  -2.430  1.00  0.00           C  
HETATM   60  C   UNL     1      -1.418  -1.093  -2.539  1.00  0.00           C  
HETATM   61  C   UNL     1      -2.444  -0.188  -2.344  1.00  0.00           C  
HETATM   62  C   UNL     1      -3.716  -0.638  -2.043  1.00  0.00           C  
HETATM   63  H   UNL     1       8.766  -2.440  -0.790  1.00  0.00           H  
HETATM   64  H   UNL     1       8.238  -1.117  -1.858  1.00  0.00           H  
HETATM   65  H   UNL     1      11.036  -2.514   0.067  1.00  0.00           H  
HETATM   66  H   UNL     1      13.384  -1.865  -0.289  1.00  0.00           H  
HETATM   67  H   UNL     1      13.926   0.045  -1.747  1.00  0.00           H  
HETATM   68  H   UNL     1      12.120   1.304  -2.848  1.00  0.00           H  
HETATM   69  H   UNL     1       9.772   0.649  -2.499  1.00  0.00           H  
HETATM   70  H   UNL     1       6.997   0.310   2.123  1.00  0.00           H  
HETATM   71  H   UNL     1       4.740  -1.469   1.645  1.00  0.00           H  
HETATM   72  H   UNL     1       5.153   0.873   3.555  1.00  0.00           H  
HETATM   73  H   UNL     1       3.694  -0.145   3.516  1.00  0.00           H  
HETATM   74  H   UNL     1       5.918  -1.678   6.038  1.00  0.00           H  
HETATM   75  H   UNL     1       2.429  -0.085   1.707  1.00  0.00           H  
HETATM   76  H   UNL     1       2.638   2.341   0.094  1.00  0.00           H  
HETATM   77  H   UNL     1       1.372  -0.222  -0.975  1.00  0.00           H  
HETATM   78  H   UNL     1       1.182   1.385  -1.717  1.00  0.00           H  
HETATM   79  H   UNL     1       3.640   1.544  -2.002  1.00  0.00           H  
HETATM   80  H   UNL     1       3.830  -0.062  -1.260  1.00  0.00           H  
HETATM   81  H   UNL     1       3.749  -0.750  -4.861  1.00  0.00           H  
HETATM   82  H   UNL     1       0.049   2.848  -0.586  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.602   2.126   1.742  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.902   5.000   0.990  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.657   3.836   3.200  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.256   5.559   2.998  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.234   4.723   1.768  1.00  0.00           H  
HETATM   88  H   UNL     1       0.929   3.825   2.179  1.00  0.00           H  
HETATM   89  H   UNL     1       0.172   5.051   3.224  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.215   3.329   3.450  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.936   3.168   1.400  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.185   4.947  -1.349  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.520   4.120  -2.186  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.160   6.864  -0.388  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.316   0.404  -0.056  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.377   1.067   1.211  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.375  -0.424  -1.256  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.715   0.396   1.186  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.495  -3.473  -2.032  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.083  -1.793  -2.002  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.230  -4.224   0.047  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.751  -3.493   1.584  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.700  -5.718  -1.179  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.568  -7.317  -1.051  1.00  0.00           H  
HETATM  105  H   UNL     1      -9.125  -7.241   0.855  1.00  0.00           H  
HETATM  106  H   UNL     1      -8.813  -5.567   2.634  1.00  0.00           H  
HETATM  107  H   UNL     1      -6.940  -3.974   2.510  1.00  0.00           H  
HETATM  108  H   UNL     1      -3.126  -3.959  -2.039  1.00  0.00           H  
HETATM  109  H   UNL     1      -0.862  -3.157  -2.582  1.00  0.00           H  
HETATM  110  H   UNL     1      -0.426  -0.742  -2.776  1.00  0.00           H  
HETATM  111  H   UNL     1      -2.253   0.872  -2.429  1.00  0.00           H  
HETATM  112  H   UNL     1      -4.518   0.069  -1.894  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   63   64                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   65                                       
CONECT    7    6    8    8   66                                       
CONECT    8    7    7    9   67                                       
CONECT    9    8   10   10   68                                       
CONECT   10    5    9    9   69                                       
CONECT   11   12   70    1                                            
CONECT   12   11   13   15   71                                       
CONECT   13   12   14   14   19                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   72   73                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   74                                                 
CONECT   19   20   75   13                                            
CONECT   20   19   21   23   76                                       
CONECT   21   20   22   22   28                                       
CONECT   22   21   21                                                 
CONECT   23   20   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   29   82   21                                            
CONECT   29   28   30   32   83                                       
CONECT   30   29   31   31   38                                       
CONECT   31   30   30                                                 
CONECT   32   29   33   34   84                                       
CONECT   33   32   85   86   87                                       
CONECT   34   32   88   89   90                                       
CONECT   35   36   37   37   43                                       
CONECT   36   35   38   39                                            
CONECT   37   35   35                                                 
CONECT   38   36   91   30                                            
CONECT   39   36   40   92   93                                       
CONECT   40   39   41   42   42                                       
CONECT   41   40   94                                                 
CONECT   42   40   40                                                 
CONECT   43   35   44   95   96                                       
CONECT   44   43   45   46   97                                       
CONECT   45   44   98                                                 
CONECT   46   44   47   48   48                                       
CONECT   47   46   49   50                                            
CONECT   48   46   46                                                 
CONECT   49   47   57   99  100                                       
CONECT   50   47   51  101  102                                       
CONECT   51   50   52   52   56                                       
CONECT   52   51   51   53  103                                       
CONECT   53   52   54   54  104                                       
CONECT   54   53   53   55  105                                       
CONECT   55   54   56   56  106                                       
CONECT   56   51   55   55  107                                       
CONECT   57   49   58   58   62                                       
CONECT   58   57   57   59  108                                       
CONECT   59   58   60   60  109                                       
CONECT   60   59   59   61  110                                       
CONECT   61   60   62   62  111                                       
CONECT   62   57   61   61  112                                       
CONECT   63    4                                                      
CONECT   64    4                                                      
CONECT   65    6                                                      
CONECT   66    7                                                      
CONECT   67    8                                                      
CONECT   68    9                                                      
CONECT   69   10                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   15                                                      
CONECT   73   15                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   20                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   34                                                      
CONECT   90   34                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   39                                                      
CONECT   94   41                                                      
CONECT   95   43                                                      
CONECT   96   43                                                      
CONECT   97   44                                                      
CONECT   98   45                                                      
CONECT   99   49                                                      
CONECT  100   49                                                      
CONECT  101   50                                                      
CONECT  102   50                                                      
CONECT  103   52                                                      
CONECT  104   53                                                      
CONECT  105   54                                                      
CONECT  106   55                                                      
CONECT  107   56                                                      
CONECT  108   58                                                      
CONECT  109   59                                                      
CONECT  110   60                                                      
CONECT  111   61                                                      
CONECT  112   62                                                      
MASTER        0    0    0    0    0    0    0    0  112    0  112    0
END
