COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.401  12.007 109.335  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.409  12.899 110.538  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.581  12.727 111.044  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.697  12.586 112.040  1.00  0.00           C  
HETATM    5  O   UNL     1      -5.472  12.984 113.348  1.00  0.00           O  
HETATM    6  C   UNL     1      -6.722  11.518 111.798  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.407  11.730 110.433  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.025  12.434 109.638  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.037  12.661 108.527  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.181  10.436 110.121  1.00  0.00           C  
HETATM   11  O   UNL     1     -13.798  18.513  84.027  1.00  0.00           O  
HETATM   12  C   UNL     1     -12.720  17.847  88.113  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.796  11.850 107.892  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.746  12.984 107.480  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.558  13.231 106.018  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.162  13.595 105.604  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.705  13.906 105.330  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.442  14.043 103.818  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.466  15.052 103.272  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.077  15.567 101.917  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.631  15.819 101.595  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.118  16.347 101.166  1.00  0.00           C  
HETATM   23  C   UNL     1     -10.073  15.957  99.678  1.00  0.00           C  
HETATM   24  C   UNL     1     -11.152  16.708  98.883  1.00  0.00           C  
HETATM   25  C   UNL     1     -11.336  15.989  97.532  1.00  0.00           C  
HETATM   26  C   UNL     1     -12.080  16.827  96.531  1.00  0.00           C  
HETATM   27  C   UNL     1     -13.248  17.653  97.005  1.00  0.00           C  
HETATM   28  C   UNL     1     -12.088  16.346  95.107  1.00  0.00           C  
HETATM   29  C   UNL     1     -12.503  17.499  94.174  1.00  0.00           C  
HETATM   30  C   UNL     1     -12.413  17.085  92.693  1.00  0.00           C  
HETATM   31  C   UNL     1     -13.303  17.956  91.857  1.00  0.00           C  
HETATM   32  C   UNL     1     -13.621  19.371  92.266  1.00  0.00           C  
HETATM   33  C   UNL     1     -13.592  17.502  90.457  1.00  0.00           C  
HETATM   34  C   UNL     1     -12.346  17.601  89.552  1.00  0.00           C  
HETATM   35  C   UNL     1     -13.378  19.156  87.718  1.00  0.00           C  
HETATM   36  C   UNL     1     -12.333  20.277  87.525  1.00  0.00           C  
HETATM   37  C   UNL     1     -14.375  19.644  88.780  1.00  0.00           C  
HETATM   38  C   UNL     1     -14.215  18.958  86.436  1.00  0.00           C  
HETATM   39  C   UNL     1     -13.462  18.247  85.349  1.00  0.00           C  
HETATM   40  C   UNL     1     -12.375  17.316  85.664  1.00  0.00           C  
HETATM   41  C   UNL     1     -11.887  17.127  87.078  1.00  0.00           C  
HETATM   42  C   UNL     1     -11.691  16.574  84.552  1.00  0.00           C  
HETATM   43  H   UNL     1      -9.330  12.642 109.994  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.964  13.804 110.099  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.647  13.084 111.596  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.800  11.999 111.309  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.207  13.761 111.083  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.284  13.461 111.723  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.421  12.218 113.908  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.483  11.567 112.591  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.228  10.535 111.805  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.319  11.828 108.500  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.499  13.604 108.702  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.571  12.716 107.567  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.142  10.446 110.657  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.589   9.568 110.445  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.366  10.370 109.039  1.00  0.00           H  
HETATM   58  H   UNL     1     -14.743  18.574  83.946  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.461  11.056 107.241  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.429  13.510 108.131  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.465  12.812 105.938  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.883  14.555 106.062  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.115  13.684 104.509  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.599  14.251 105.828  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.682  13.528 103.249  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.358  15.354 103.800  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.019  14.995 101.990  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.313  16.766 102.055  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.503  15.881 100.504  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.793  17.069 101.602  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.377  15.251  99.250  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.688  17.586  99.213  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.971  14.993  97.328  1.00  0.00           H  
HETATM   74  H   UNL     1     -14.183  17.102  96.825  1.00  0.00           H  
HETATM   75  H   UNL     1     -13.271  18.605  96.455  1.00  0.00           H  
HETATM   76  H   UNL     1     -13.143  17.854  98.081  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.841  15.345  94.787  1.00  0.00           H  
HETATM   78  H   UNL     1     -12.817  18.474  94.515  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.798  16.283  92.312  1.00  0.00           H  
HETATM   80  H   UNL     1     -14.576  19.677  91.815  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.820  20.041  91.920  1.00  0.00           H  
HETATM   82  H   UNL     1     -13.698  19.428  93.362  1.00  0.00           H  
HETATM   83  H   UNL     1     -14.556  17.148  90.123  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.330  17.506  89.906  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.747  21.054  86.865  1.00  0.00           H  
HETATM   86  H   UNL     1     -11.424  19.856  87.071  1.00  0.00           H  
HETATM   87  H   UNL     1     -12.085  20.719  88.501  1.00  0.00           H  
HETATM   88  H   UNL     1     -15.186  18.909  88.887  1.00  0.00           H  
HETATM   89  H   UNL     1     -14.796  20.612  88.470  1.00  0.00           H  
HETATM   90  H   UNL     1     -13.857  19.761  89.744  1.00  0.00           H  
HETATM   91  H   UNL     1     -14.481  19.956  86.057  1.00  0.00           H  
HETATM   92  H   UNL     1     -15.102  18.359  86.691  1.00  0.00           H  
HETATM   93  H   UNL     1     -13.408  17.232  85.770  1.00  0.00           H  
HETATM   94  H   UNL     1     -13.304  16.923  86.102  1.00  0.00           H  
HETATM   95  H   UNL     1     -11.021  16.532  87.328  1.00  0.00           H  
HETATM   96  H   UNL     1     -12.324  15.735  84.228  1.00  0.00           H  
HETATM   97  H   UNL     1     -10.724  16.189  84.909  1.00  0.00           H  
HETATM   98  H   UNL     1     -11.524  17.255  83.705  1.00  0.00           H  
CONECT    1    7    8    8   13                                       
CONECT    2    7   43   44   45                                       
CONECT    3    4    8   46   47                                       
CONECT    4    3    5    6   48                                       
CONECT    5    4   49                                                 
CONECT    6    4    7   50   51                                       
CONECT    7    1    2    6   10                                       
CONECT    8    1    1    3    9                                       
CONECT    9    8   52   53   54                                       
CONECT   10    7   55   56   57                                       
CONECT   11   39   58                                                 
CONECT   12   34   35   41   41                                       
CONECT   13    1   14   14   59                                       
CONECT   14   13   13   15   60                                       
CONECT   15   14   16   17   17                                       
CONECT   16   15   61   62   63                                       
CONECT   17   15   15   18   64                                       
CONECT   18   17   19   19   65                                       
CONECT   19   18   18   20   66                                       
CONECT   20   19   21   22   22                                       
CONECT   21   20   67   68   69                                       
CONECT   22   20   20   23   70                                       
CONECT   23   22   24   24   71                                       
CONECT   24   23   23   25   72                                       
CONECT   25   24   26   26   73                                       
CONECT   26   25   25   27   28                                       
CONECT   27   26   74   75   76                                       
CONECT   28   26   29   29   77                                       
CONECT   29   28   28   30   78                                       
CONECT   30   29   31   31   79                                       
CONECT   31   30   30   32   33                                       
CONECT   32   31   80   81   82                                       
CONECT   33   31   34   34   83                                       
CONECT   34   12   33   33   84                                       
CONECT   35   12   36   37   38                                       
CONECT   36   35   85   86   87                                       
CONECT   37   35   88   89   90                                       
CONECT   38   35   39   91   92                                       
CONECT   39   11   38   40   93                                       
CONECT   40   39   41   42   94                                       
CONECT   41   12   12   40   95                                       
CONECT   42   40   96   97   98                                       
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   37                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   42                                                      
CONECT   97   42                                                      
CONECT   98   42                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
