COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.065   1.613  -2.017  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.596   0.346  -1.623  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.879  -0.137  -0.360  1.00  0.00           C  
HETATM    4  O   UNL     1      -5.503  -0.381  -0.657  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.732  -0.814   0.465  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.298  -2.136   0.992  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.188  -3.139  -0.020  1.00  0.00           O  
HETATM    8  C   UNL     1      -6.771  -1.941   1.362  1.00  0.00           C  
HETATM    9  O   UNL     1      -7.327  -3.187   1.785  1.00  0.00           O  
HETATM   10  C   UNL     1      -7.531  -1.431   0.133  1.00  0.00           C  
HETATM   11  O   UNL     1      -7.481  -2.415  -0.902  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.373  -1.003   0.066  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.630   0.211  -0.059  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.209   1.064  -1.204  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.606   2.396  -0.522  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.740   2.373   0.763  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.746   0.981   1.149  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.373   3.237   1.855  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.500   3.293   2.985  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.998   2.408  -0.199  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.218   1.293  -2.208  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.160  -0.106  -0.339  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.658  -0.975   0.679  1.00  0.00           O  
HETATM   24  C   UNL     1       1.651  -0.270   0.472  1.00  0.00           C  
HETATM   25  C   UNL     1       0.671  -1.444   0.439  1.00  0.00           C  
HETATM   26  C   UNL     1       1.061  -2.482   1.509  1.00  0.00           C  
HETATM   27  C   UNL     1       1.395  -3.757   0.697  1.00  0.00           C  
HETATM   28  C   UNL     1       1.689  -3.178  -0.710  1.00  0.00           C  
HETATM   29  C   UNL     1       1.453  -4.237  -1.789  1.00  0.00           C  
HETATM   30  O   UNL     1       1.395   0.595  -0.637  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.036  -2.726   2.393  1.00  0.00           O  
HETATM   32  O   UNL     1       2.548  -4.413   1.229  1.00  0.00           O  
HETATM   33  O   UNL     1       0.734  -2.102  -0.837  1.00  0.00           O  
HETATM   34  O   UNL     1       1.841  -3.716  -3.061  1.00  0.00           O  
HETATM   35  C   UNL     1       3.649   1.477  -0.734  1.00  0.00           C  
HETATM   36  C   UNL     1       2.158   1.803  -0.619  1.00  0.00           C  
HETATM   37  C   UNL     1       1.729   2.711  -1.788  1.00  0.00           C  
HETATM   38  C   UNL     1       1.265   4.018  -1.102  1.00  0.00           C  
HETATM   39  C   UNL     1       1.969   3.930   0.275  1.00  0.00           C  
HETATM   40  C   UNL     1       1.217   4.757   1.320  1.00  0.00           C  
HETATM   41  O   UNL     1       4.079   0.794   0.445  1.00  0.00           O  
HETATM   42  O   UNL     1       0.651   2.116  -2.513  1.00  0.00           O  
HETATM   43  O   UNL     1       1.712   5.163  -1.831  1.00  0.00           O  
HETATM   44  O   UNL     1       1.905   2.524   0.598  1.00  0.00           O  
HETATM   45  O   UNL     1       1.948   4.754   2.547  1.00  0.00           O  
HETATM   46  C   UNL     1       6.358   1.613   0.383  1.00  0.00           C  
HETATM   47  C   UNL     1       5.448   0.384   0.412  1.00  0.00           C  
HETATM   48  C   UNL     1       5.767  -0.476   1.651  1.00  0.00           C  
HETATM   49  C   UNL     1       6.253  -1.823   1.064  1.00  0.00           C  
HETATM   50  C   UNL     1       6.673  -1.418  -0.373  1.00  0.00           C  
HETATM   51  C   UNL     1       6.612  -2.624  -1.312  1.00  0.00           C  
HETATM   52  O   UNL     1       6.188   2.303  -0.857  1.00  0.00           O  
HETATM   53  O   UNL     1       4.592  -0.669   2.441  1.00  0.00           O  
HETATM   54  O   UNL     1       7.371  -2.326   1.798  1.00  0.00           O  
HETATM   55  O   UNL     1       5.686  -0.433  -0.747  1.00  0.00           O  
HETATM   56  O   UNL     1       7.113  -2.253  -2.598  1.00  0.00           O  
HETATM   57  H   UNL     1      -7.473   1.981  -2.812  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.445  -0.376  -2.425  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.662   0.447  -1.420  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.954   0.626   0.415  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.779  -0.060   1.251  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.739  -2.446   1.875  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.281  -3.315  -0.303  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.851  -1.212   2.168  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.893  -3.568   2.560  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.570  -1.237   0.402  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.878  -3.263  -0.658  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.085   0.580  -1.635  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.071  -0.594  -1.309  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.583   0.819  -0.343  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.346   3.248  -1.151  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.528   1.825  -2.954  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.725   2.707   0.549  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.294   3.223   0.231  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.536   4.244   1.473  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.327   2.803   2.155  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.838   3.825   3.718  1.00  0.00           H  
HETATM   78  H   UNL     1       1.523   0.284   1.402  1.00  0.00           H  
HETATM   79  H   UNL     1       2.672  -0.647   0.411  1.00  0.00           H  
HETATM   80  H   UNL     1       1.934  -2.145   2.067  1.00  0.00           H  
HETATM   81  H   UNL     1       0.542  -4.435   0.669  1.00  0.00           H  
HETATM   82  H   UNL     1       2.708  -2.795  -0.763  1.00  0.00           H  
HETATM   83  H   UNL     1       2.046  -5.124  -1.563  1.00  0.00           H  
HETATM   84  H   UNL     1       0.396  -4.504  -1.812  1.00  0.00           H  
HETATM   85  H   UNL     1       0.154  -3.372   3.087  1.00  0.00           H  
HETATM   86  H   UNL     1       2.797  -5.217   0.754  1.00  0.00           H  
HETATM   87  H   UNL     1       1.719  -4.335  -3.794  1.00  0.00           H  
HETATM   88  H   UNL     1       3.817   0.842  -1.604  1.00  0.00           H  
HETATM   89  H   UNL     1       4.215   2.402  -0.844  1.00  0.00           H  
HETATM   90  H   UNL     1       2.573   2.906  -2.450  1.00  0.00           H  
HETATM   91  H   UNL     1       0.181   4.032  -0.985  1.00  0.00           H  
HETATM   92  H   UNL     1       3.006   4.259   0.198  1.00  0.00           H  
HETATM   93  H   UNL     1       1.110   5.782   0.963  1.00  0.00           H  
HETATM   94  H   UNL     1       0.230   4.325   1.483  1.00  0.00           H  
HETATM   95  H   UNL     1       0.340   2.645  -3.261  1.00  0.00           H  
HETATM   96  H   UNL     1       1.446   6.007  -1.441  1.00  0.00           H  
HETATM   97  H   UNL     1       1.529   5.261   3.256  1.00  0.00           H  
HETATM   98  H   UNL     1       6.098   2.277   1.207  1.00  0.00           H  
HETATM   99  H   UNL     1       7.397   1.298   0.484  1.00  0.00           H  
HETATM  100  H   UNL     1       6.555  -0.012   2.244  1.00  0.00           H  
HETATM  101  H   UNL     1       5.444  -2.552   1.041  1.00  0.00           H  
HETATM  102  H   UNL     1       7.671  -0.980  -0.372  1.00  0.00           H  
HETATM  103  H   UNL     1       7.220  -3.432  -0.905  1.00  0.00           H  
HETATM  104  H   UNL     1       5.579  -2.959  -1.407  1.00  0.00           H  
HETATM  105  H   UNL     1       6.736   3.094  -0.945  1.00  0.00           H  
HETATM  106  H   UNL     1       4.736  -1.204   3.235  1.00  0.00           H  
HETATM  107  H   UNL     1       7.711  -3.169   1.468  1.00  0.00           H  
HETATM  108  H   UNL     1       7.105  -2.970  -3.246  1.00  0.00           H  
CONECT    1    2   57                                                 
CONECT    2    3    1   58   59                                       
CONECT    3    2   10    4   60                                       
CONECT    4    3    5                                                 
CONECT    5    6    4   12   61                                       
CONECT    6    8    5    7   62                                       
CONECT    7    6   63                                                 
CONECT    8   10    6    9   64                                       
CONECT    9    8   65                                                 
CONECT   10    3    8   11   66                                       
CONECT   11   10   67                                                 
CONECT   12    5   13                                                 
CONECT   13   12   14   17   22                                       
CONECT   14   13   15   21   68                                       
CONECT   15   14   16   20   71                                       
CONECT   16   15   17   18   73                                       
CONECT   17   13   16                                                 
CONECT   18   16   19   75   76                                       
CONECT   19   18   77                                                 
CONECT   20   15   74                                                 
CONECT   21   14   72                                                 
CONECT   22   13   23   69   70                                       
CONECT   23   22   25                                                 
CONECT   24   25   30   78   79                                       
CONECT   25   23   26   33   24                                       
CONECT   26   25   27   31   80                                       
CONECT   27   26   28   32   81                                       
CONECT   28   27   33   29   82                                       
CONECT   29   28   34   83   84                                       
CONECT   30   24   36                                                 
CONECT   31   26   85                                                 
CONECT   32   27   86                                                 
CONECT   33   25   28                                                 
CONECT   34   29   87                                                 
CONECT   35   36   41   88   89                                       
CONECT   36   30   37   44   35                                       
CONECT   37   36   38   42   90                                       
CONECT   38   37   39   43   91                                       
CONECT   39   38   44   40   92                                       
CONECT   40   39   45   93   94                                       
CONECT   41   35   47                                                 
CONECT   42   37   95                                                 
CONECT   43   38   96                                                 
CONECT   44   36   39                                                 
CONECT   45   40   97                                                 
CONECT   46   47   52   98   99                                       
CONECT   47   41   48   55   46                                       
CONECT   48   47   49   53  100                                       
CONECT   49   48   50   54  101                                       
CONECT   50   49   55   51  102                                       
CONECT   51   50   56  103  104                                       
CONECT   52   46  105                                                 
CONECT   53   48  106                                                 
CONECT   54   49  107                                                 
CONECT   55   47   50                                                 
CONECT   56   51  108                                                 
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    2                                                      
CONECT   60    3                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   14                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   15                                                      
CONECT   72   21                                                      
CONECT   73   16                                                      
CONECT   74   20                                                      
CONECT   75   18                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   24                                                      
CONECT   79   24                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   35                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   40                                                      
CONECT   95   42                                                      
CONECT   96   43                                                      
CONECT   97   45                                                      
CONECT   98   46                                                      
CONECT   99   46                                                      
CONECT  100   48                                                      
CONECT  101   49                                                      
CONECT  102   50                                                      
CONECT  103   51                                                      
CONECT  104   51                                                      
CONECT  105   52                                                      
CONECT  106   53                                                      
CONECT  107   54                                                      
CONECT  108   56                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
