COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.310  -0.070   6.031  1.00  0.00           C  
HETATM    2  C   UNL     1       1.984  -0.433   4.731  1.00  0.00           C  
HETATM    3  C   UNL     1       0.658  -0.410   4.316  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.340  -0.007   5.220  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.001   0.361   6.528  1.00  0.00           C  
HETATM    6  C   UNL     1       1.322   0.328   6.924  1.00  0.00           C  
HETATM    7  O   UNL     1       0.318  -0.764   3.059  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.948  -0.749   2.629  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.978  -0.381   3.410  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.736   0.011   4.754  1.00  0.00           C  
HETATM   11  O   UNL     1       2.962  -0.817   3.865  1.00  0.00           O  
HETATM   12  O   UNL     1       3.608  -0.099   6.432  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.966   0.751   7.400  1.00  0.00           O  
HETATM   14  O   UNL     1      -2.646   0.352   5.490  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.310   1.059   8.631  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.232  -1.161   1.207  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.165   0.066   0.297  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.454  -0.352  -1.145  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.387   0.875  -2.056  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.519   0.435  -3.515  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.176  -0.108  -4.007  1.00  0.00           C  
HETATM   22  C   UNL     1       3.628   0.326   7.796  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.850  -0.973  -1.227  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.047   1.585  -1.856  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.279  -0.453  -5.470  1.00  0.00           C  
HETATM   26  C   UNL     1       0.514   0.150  -6.355  1.00  0.00           C  
HETATM   27  C   UNL     1       0.414  -0.183  -7.777  1.00  0.00           C  
HETATM   28  C   UNL     1       1.218   0.427  -8.672  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.383  -0.386   2.863  1.00  0.00           C  
HETATM   30  C   UNL     1       0.186  -1.364  -3.212  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.929   1.633  -4.374  1.00  0.00           C  
HETATM   32  C   UNL     1       1.118   0.092 -10.094  1.00  0.00           C  
HETATM   33  C   UNL     1       1.912   0.696 -10.978  1.00  0.00           C  
HETATM   34  C   UNL     1       1.809   0.352 -12.442  1.00  0.00           C  
HETATM   35  C   UNL     1       0.117  -0.934 -10.558  1.00  0.00           C  
HETATM   36  H   UNL     1       1.589   0.612   7.931  1.00  0.00           H  
HETATM   37  H   UNL     1       3.264  -0.018   3.412  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.049   1.378   9.366  1.00  0.00           H  
HETATM   39  H   UNL     1       0.208   0.174   8.998  1.00  0.00           H  
HETATM   40  H   UNL     1       0.409   1.861   8.468  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.490  -1.893   0.886  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.227  -1.603   1.149  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.907   0.797   0.618  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.171   0.507   0.355  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.712  -1.084  -1.467  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.201   1.556  -1.807  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.277  -0.343  -3.593  1.00  0.00           H  
HETATM   48  H   UNL     1       0.595   0.646  -3.865  1.00  0.00           H  
HETATM   49  H   UNL     1       4.654   0.320   8.164  1.00  0.00           H  
HETATM   50  H   UNL     1       3.223   1.336   7.867  1.00  0.00           H  
HETATM   51  H   UNL     1       3.022  -0.350   8.397  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.596  -0.224  -0.960  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.033  -1.323  -2.243  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.915  -1.813  -0.536  1.00  0.00           H  
HETATM   55  H   UNL     1       0.764   0.868  -1.968  1.00  0.00           H  
HETATM   56  H   UNL     1       0.059   2.375  -2.600  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.012   2.021  -0.857  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.996  -1.188  -5.803  1.00  0.00           H  
HETATM   59  H   UNL     1       1.232   0.886  -6.022  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.302  -0.919  -8.110  1.00  0.00           H  
HETATM   61  H   UNL     1       1.935   1.162  -8.339  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.075  -0.060   3.639  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.444   0.292   2.013  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.644  -1.394   2.543  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.711  -1.958  -3.041  1.00  0.00           H  
HETATM   66  H   UNL     1       0.910  -1.954  -3.775  1.00  0.00           H  
HETATM   67  H   UNL     1       0.619  -1.076  -2.254  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.124   2.368  -4.380  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.124   1.300  -5.393  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.830   2.085  -3.960  1.00  0.00           H  
HETATM   71  H   UNL     1       2.629   1.431 -10.646  1.00  0.00           H  
HETATM   72  H   UNL     1       2.532   0.942 -13.006  1.00  0.00           H  
HETATM   73  H   UNL     1       2.018  -0.708 -12.581  1.00  0.00           H  
HETATM   74  H   UNL     1       0.803   0.573 -12.797  1.00  0.00           H  
HETATM   75  H   UNL     1       0.189  -1.048 -11.640  1.00  0.00           H  
HETATM   76  H   UNL     1       0.327  -1.889 -10.077  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.888  -0.606 -10.293  1.00  0.00           H  
CONECT    1    2    2    6   12                                       
CONECT    2    1    1    3   11                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6   13                                       
CONECT    6    1    5    5   36                                       
CONECT    7    3    8                                                 
CONECT    8    7    9    9   16                                       
CONECT    9    8    8   10   29                                       
CONECT   10    4    9   14   14                                       
CONECT   11    2   37                                                 
CONECT   12    1   22                                                 
CONECT   13    5   15                                                 
CONECT   14   10   10                                                 
CONECT   15   13   38   39   40                                       
CONECT   16    8   17   41   42                                       
CONECT   17   16   18   43   44                                       
CONECT   18   17   19   23   45                                       
CONECT   19   18   20   24   46                                       
CONECT   20   19   21   31   47                                       
CONECT   21   20   25   30   48                                       
CONECT   22   12   49   50   51                                       
CONECT   23   18   52   53   54                                       
CONECT   24   19   55   56   57                                       
CONECT   25   21   26   26   58                                       
CONECT   26   25   25   27   59                                       
CONECT   27   26   28   28   60                                       
CONECT   28   27   27   32   61                                       
CONECT   29    9   62   63   64                                       
CONECT   30   21   65   66   67                                       
CONECT   31   20   68   69   70                                       
CONECT   32   28   33   33   35                                       
CONECT   33   32   32   34   71                                       
CONECT   34   33   72   73   74                                       
CONECT   35   32   75   76   77                                       
CONECT   36    6                                                      
CONECT   37   11                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
