COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.354   0.115  -1.236  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.160   0.428   1.331  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.781   0.590   1.948  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.532   0.372   0.777  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.624   0.217  -0.186  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.904   0.316   0.224  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.002   0.160  -0.744  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.331   0.262  -0.322  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.067  -0.138  -2.566  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.754  -0.241  -2.991  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.720  -0.091  -2.091  1.00  0.00           C  
HETATM   12  C   UNL     1       4.956  -3.861  -1.105  1.00  0.00           C  
HETATM   13  C   UNL     1       5.072  -4.487  -2.332  1.00  0.00           C  
HETATM   14  C   UNL     1       3.943  -4.745  -3.086  1.00  0.00           C  
HETATM   15  C   UNL     1       2.697  -4.377  -2.612  1.00  0.00           C  
HETATM   16  C   UNL     1       2.581  -3.751  -1.385  1.00  0.00           C  
HETATM   17  C   UNL     1       3.710  -3.498  -0.629  1.00  0.00           C  
HETATM   18  C   UNL     1       3.584  -2.816   0.709  1.00  0.00           C  
HETATM   19  N   UNL     1       3.666  -1.365   0.526  1.00  0.00           N  
HETATM   20  C   UNL     1       3.576  -0.545   1.593  1.00  0.00           C  
HETATM   21  O   UNL     1       3.428  -1.009   2.704  1.00  0.00           O  
HETATM   22  C   UNL     1       3.661   0.948   1.405  1.00  0.00           C  
HETATM   23  O   UNL     1       3.658   1.589   2.682  1.00  0.00           O  
HETATM   24  C   UNL     1       2.458   1.428   0.590  1.00  0.00           C  
HETATM   25  C   UNL     1       2.544   2.944   0.400  1.00  0.00           C  
HETATM   26  C   UNL     1       3.760   3.281  -0.466  1.00  0.00           C  
HETATM   27  C   UNL     1       3.963   4.812  -0.541  1.00  0.00           C  
HETATM   28  C   UNL     1       4.447   4.995  -1.996  1.00  0.00           C  
HETATM   29  N   UNL     1       3.907   3.848  -2.735  1.00  0.00           N  
HETATM   30  C   UNL     1       3.519   2.868  -1.901  1.00  0.00           C  
HETATM   31  O   UNL     1       3.044   1.807  -2.248  1.00  0.00           O  
HETATM   32  N   UNL     1       1.222   1.095   1.302  1.00  0.00           N  
HETATM   33  C   UNL     1       0.083   0.884   0.612  1.00  0.00           C  
HETATM   34  O   UNL     1       0.060   1.062  -0.588  1.00  0.00           O  
HETATM   35  C   UNL     1      -0.890  -0.913   2.016  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.110  -1.315   2.848  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.890  -2.712   3.432  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.305  -0.311   3.986  1.00  0.00           C  
HETATM   39  N   UNL     1      -2.252   0.273   0.367  1.00  0.00           N  
HETATM   40  H   UNL     1     -10.381   0.193  -0.912  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.439   1.169   2.080  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.404   0.023  -1.225  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.125   0.510   1.264  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.556   0.455   0.716  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.873  -0.257  -3.276  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.538  -0.439  -4.031  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.696  -0.171  -2.424  1.00  0.00           H  
HETATM   48  H   UNL     1       5.839  -3.660  -0.516  1.00  0.00           H  
HETATM   49  H   UNL     1       6.045  -4.774  -2.701  1.00  0.00           H  
HETATM   50  H   UNL     1       4.033  -5.234  -4.044  1.00  0.00           H  
HETATM   51  H   UNL     1       1.814  -4.578  -3.201  1.00  0.00           H  
HETATM   52  H   UNL     1       1.608  -3.463  -1.016  1.00  0.00           H  
HETATM   53  H   UNL     1       2.624  -3.072   1.158  1.00  0.00           H  
HETATM   54  H   UNL     1       4.391  -3.146   1.363  1.00  0.00           H  
HETATM   55  H   UNL     1       3.784  -0.993  -0.362  1.00  0.00           H  
HETATM   56  H   UNL     1       4.581   1.196   0.876  1.00  0.00           H  
HETATM   57  H   UNL     1       2.867   1.412   3.210  1.00  0.00           H  
HETATM   58  H   UNL     1       2.461   0.939  -0.384  1.00  0.00           H  
HETATM   59  H   UNL     1       1.639   3.300  -0.091  1.00  0.00           H  
HETATM   60  H   UNL     1       2.645   3.427   1.372  1.00  0.00           H  
HETATM   61  H   UNL     1       4.653   2.796  -0.072  1.00  0.00           H  
HETATM   62  H   UNL     1       3.023   5.339  -0.373  1.00  0.00           H  
HETATM   63  H   UNL     1       4.723   5.140   0.168  1.00  0.00           H  
HETATM   64  H   UNL     1       4.059   5.926  -2.409  1.00  0.00           H  
HETATM   65  H   UNL     1       5.537   4.991  -2.034  1.00  0.00           H  
HETATM   66  H   UNL     1       3.840   3.802  -3.702  1.00  0.00           H  
HETATM   67  H   UNL     1       1.223   1.025   2.269  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.698  -1.675   1.261  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.021  -0.820   2.667  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.996  -1.322   2.213  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.004  -2.705   4.067  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.759  -2.999   4.025  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.751  -3.427   2.622  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.461   0.684   3.569  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.174  -0.598   4.578  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.419  -0.304   4.620  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.054   0.099  -0.567  1.00  0.00           H  
CONECT    1    8    8    9   40                                       
CONECT    2   33   35   39   41                                       
CONECT    3    4    4                                                 
CONECT    4    3    3   39    5                                       
CONECT    5    4    6    6   42                                       
CONECT    6    5    5    7   43                                       
CONECT    7    6   11   11    8                                       
CONECT    8    7    1    1   44                                       
CONECT    9   10   10    1   45                                       
CONECT   10   11    9    9   46                                       
CONECT   11    7    7   10   47                                       
CONECT   12   17   17   13   48                                       
CONECT   13   12   14   14   49                                       
CONECT   14   13   13   15   50                                       
CONECT   15   16   16   14   51                                       
CONECT   16   17   15   15   52                                       
CONECT   17   18   12   12   16                                       
CONECT   18   19   17   53   54                                       
CONECT   19   20   18   55                                            
CONECT   20   21   21   22   19                                       
CONECT   21   20   20                                                 
CONECT   22   24   20   23   56                                       
CONECT   23   22   57                                                 
CONECT   24   25   22   32   58                                       
CONECT   25   26   24   59   60                                       
CONECT   26   30   25   27   61                                       
CONECT   27   26   28   62   63                                       
CONECT   28   29   27   64   65                                       
CONECT   29   30   28   66                                            
CONECT   30   31   31   29   26                                       
CONECT   31   30   30                                                 
CONECT   32   24   33   67                                            
CONECT   33   32    2   34   34                                       
CONECT   34   33   33                                                 
CONECT   35    2   36   68   69                                       
CONECT   36   37   35   38   70                                       
CONECT   37   36   71   72   73                                       
CONECT   38   36   74   75   76                                       
CONECT   39    2    4   77                                            
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   32                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
