COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.669   1.913   2.022  1.00  0.00           C  
HETATM    2  C   UNL     1       1.520   0.943   1.181  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.331  -2.784  -0.307  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.614  -0.018   0.632  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.756  -0.924   0.401  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.587  -2.306   0.510  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.899  -2.631  -0.032  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.077  -1.252  -0.137  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.655  -3.150   0.294  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.011  -0.400   0.078  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.698  -4.868  -0.114  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.409   0.677  -0.542  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.846   1.056  -0.903  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.964   2.578  -0.999  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.525   4.340  -1.452  1.00  0.00           C  
HETATM   16  C   UNL     1       4.871   1.322  -0.224  1.00  0.00           C  
HETATM   17  N   UNL     1       1.326   3.237   1.955  1.00  0.00           N  
HETATM   18  C   UNL     1       2.706   1.790   0.665  1.00  0.00           C  
HETATM   19  C   UNL     1       2.759   2.963   1.676  1.00  0.00           C  
HETATM   20  C   UNL     1       0.703   0.403   0.005  1.00  0.00           C  
HETATM   21  O   UNL     1       3.938   1.022   0.699  1.00  0.00           O  
HETATM   22  N   UNL     1      -0.353  -0.479   0.508  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.039  -1.861   0.878  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.898  -2.278   2.073  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.810   1.143   0.934  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.948  -3.467  -0.244  1.00  0.00           O  
HETATM   27  O   UNL     1      -6.299  -0.745  -0.452  1.00  0.00           O  
HETATM   28  O   UNL     1      -9.306   2.932  -1.336  1.00  0.00           O  
HETATM   29  N   UNL     1       6.037   0.647  -0.248  1.00  0.00           N  
HETATM   30  O   UNL     1       4.661   2.201  -1.036  1.00  0.00           O  
HETATM   31  C   UNL     1       7.052   0.973  -1.252  1.00  0.00           C  
HETATM   32  C   UNL     1       8.252   0.080  -1.063  1.00  0.00           C  
HETATM   33  C   UNL     1       8.321  -1.133  -1.723  1.00  0.00           C  
HETATM   34  C   UNL     1      10.451  -1.558  -0.716  1.00  0.00           C  
HETATM   35  C   UNL     1      10.385  -0.342  -0.061  1.00  0.00           C  
HETATM   36  C   UNL     1       9.421  -1.952  -1.549  1.00  0.00           C  
HETATM   37  C   UNL     1       9.284   0.477  -0.234  1.00  0.00           C  
HETATM   38  H   UNL     1      -0.338   1.977   1.609  1.00  0.00           H  
HETATM   39  H   UNL     1       0.625   1.569   3.055  1.00  0.00           H  
HETATM   40  H   UNL     1       1.880   0.122   1.800  1.00  0.00           H  
HETATM   41  H   UNL     1       0.547  -2.840  -0.950  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.576  -3.781   0.061  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.173  -2.390  -0.876  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.619  -2.713   0.764  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.522  -4.219   0.379  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.147   0.668  -0.002  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.934  -5.168  -0.831  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.352  -5.082   0.897  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.617  -5.421  -0.308  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.732   1.045  -1.313  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.145   1.123   0.417  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.110   0.609  -1.862  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.523   0.688  -0.132  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.700   3.025  -0.041  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.287   2.946  -1.770  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.880   4.744  -2.232  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.568   4.525  -1.709  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.293   4.823  -0.503  1.00  0.00           H  
HETATM   59  H   UNL     1       1.216   3.739   2.823  1.00  0.00           H  
HETATM   60  H   UNL     1       2.510   2.157  -0.342  1.00  0.00           H  
HETATM   61  H   UNL     1       3.237   3.835   1.228  1.00  0.00           H  
HETATM   62  H   UNL     1       3.278   2.664   2.586  1.00  0.00           H  
HETATM   63  H   UNL     1       0.254   1.235  -0.538  1.00  0.00           H  
HETATM   64  H   UNL     1       1.356  -0.157  -0.664  1.00  0.00           H  
HETATM   65  H   UNL     1       1.015  -1.935   1.144  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.901  -1.868   1.960  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.953  -3.365   2.120  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.451  -1.897   2.992  1.00  0.00           H  
HETATM   69  H   UNL     1       6.204  -0.055   0.400  1.00  0.00           H  
HETATM   70  H   UNL     1       6.639   0.820  -2.249  1.00  0.00           H  
HETATM   71  H   UNL     1       7.353   2.015  -1.140  1.00  0.00           H  
HETATM   72  H   UNL     1       7.516  -1.440  -2.374  1.00  0.00           H  
HETATM   73  H   UNL     1      11.311  -2.198  -0.579  1.00  0.00           H  
HETATM   74  H   UNL     1      11.192  -0.032   0.586  1.00  0.00           H  
HETATM   75  H   UNL     1       9.475  -2.899  -2.063  1.00  0.00           H  
HETATM   76  H   UNL     1       9.233   1.427   0.277  1.00  0.00           H  
CONECT    1   17    2   38   39                                       
CONECT    2    1   18   20   40                                       
CONECT    3   23   41   42   43                                       
CONECT    4   25   25   22    5                                       
CONECT    5   10    4    6    6                                       
CONECT    6    5    5    9   44                                       
CONECT    7    8   26    9    9                                       
CONECT    8   27   10   10    7                                       
CONECT    9    7    7    6   45                                       
CONECT   10    8    8    5   46                                       
CONECT   11   26   47   48   49                                       
CONECT   12   13   27   50   51                                       
CONECT   13   14   12   52   53                                       
CONECT   14   28   13   54   55                                       
CONECT   15   28   56   57   58                                       
CONECT   16   29   21   30   30                                       
CONECT   17   19    1   59                                            
CONECT   18   19   21    2   60                                       
CONECT   19   17   18   61   62                                       
CONECT   20    2   22   63   64                                       
CONECT   21   16   18                                                 
CONECT   22   20    4   23                                            
CONECT   23   24   22    3   65                                       
CONECT   24   23   66   67   68                                       
CONECT   25    4    4                                                 
CONECT   26    7   11                                                 
CONECT   27   12    8                                                 
CONECT   28   15   14                                                 
CONECT   29   31   16   69                                            
CONECT   30   16   16                                                 
CONECT   31   32   29   70   71                                       
CONECT   32   37   31   33   33                                       
CONECT   33   32   32   36   72                                       
CONECT   34   35   36   36   73                                       
CONECT   35   37   37   34   74                                       
CONECT   36   34   34   33   75                                       
CONECT   37   35   35   32   76                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    6                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   29                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
