COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      13.271   2.184  -1.719  1.00  0.00           O  
HETATM    2  O   UNL     1     -13.304  -2.135  -1.756  1.00  0.00           O  
HETATM    3  C   UNL     1      12.390  -0.609   1.141  1.00  0.00           C  
HETATM    4  C   UNL     1     -12.373   0.586   1.158  1.00  0.00           C  
HETATM    5  C   UNL     1      13.268   0.601   1.474  1.00  0.00           C  
HETATM    6  C   UNL     1     -13.820   0.408   0.688  1.00  0.00           C  
HETATM    7  C   UNL     1      11.434  -0.244   0.036  1.00  0.00           C  
HETATM    8  C   UNL     1     -11.436   0.246   0.030  1.00  0.00           C  
HETATM    9  C   UNL     1      14.008   1.041   0.208  1.00  0.00           C  
HETATM   10  C   UNL     1     -14.013  -1.033   0.205  1.00  0.00           C  
HETATM   11  C   UNL     1      11.599  -1.023   2.384  1.00  0.00           C  
HETATM   12  C   UNL     1      13.274  -1.772   0.688  1.00  0.00           C  
HETATM   13  C   UNL     1     -12.150   2.037   1.587  1.00  0.00           C  
HETATM   14  C   UNL     1     -12.104  -0.344   2.343  1.00  0.00           C  
HETATM   15  C   UNL     1      11.773   0.701  -0.907  1.00  0.00           C  
HETATM   16  C   UNL     1     -11.789  -0.677  -0.929  1.00  0.00           C  
HETATM   17  C   UNL     1      13.005   1.354  -0.871  1.00  0.00           C  
HETATM   18  C   UNL     1     -13.023  -1.325  -0.892  1.00  0.00           C  
HETATM   19  C   UNL     1      10.188  -0.872  -0.035  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.190   0.876  -0.046  1.00  0.00           C  
HETATM   21  C   UNL     1      10.792   1.037  -2.000  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.823  -0.993  -2.041  1.00  0.00           C  
HETATM   23  C   UNL     1       9.032  -0.117  -0.023  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.034   0.121  -0.058  1.00  0.00           C  
HETATM   25  C   UNL     1       7.785  -0.748  -0.038  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.787   0.752  -0.043  1.00  0.00           C  
HETATM   27  C   UNL     1       7.702  -2.253  -0.068  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.704   2.256  -0.013  1.00  0.00           C  
HETATM   29  C   UNL     1       6.630   0.007  -0.025  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.632  -0.003  -0.055  1.00  0.00           C  
HETATM   31  C   UNL     1       5.382  -0.624  -0.041  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.384   0.627  -0.040  1.00  0.00           C  
HETATM   33  C   UNL     1       4.227   0.131  -0.028  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.229  -0.128  -0.052  1.00  0.00           C  
HETATM   35  C   UNL     1       2.980  -0.500  -0.043  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.981   0.503  -0.037  1.00  0.00           C  
HETATM   37  C   UNL     1       1.824   0.255  -0.031  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.826  -0.252  -0.049  1.00  0.00           C  
HETATM   39  C   UNL     1       2.896  -2.004  -0.073  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.898   2.008  -0.007  1.00  0.00           C  
HETATM   41  C   UNL     1       0.577  -0.376  -0.046  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.579   0.379  -0.034  1.00  0.00           C  
HETATM   43  H   UNL     1      12.642   1.418   1.834  1.00  0.00           H  
HETATM   44  H   UNL     1      13.989   0.327   2.244  1.00  0.00           H  
HETATM   45  H   UNL     1     -14.500   0.610   1.515  1.00  0.00           H  
HETATM   46  H   UNL     1     -14.025   1.099  -0.130  1.00  0.00           H  
HETATM   47  H   UNL     1      14.600   1.931   0.424  1.00  0.00           H  
HETATM   48  H   UNL     1      14.666   0.239  -0.127  1.00  0.00           H  
HETATM   49  H   UNL     1     -13.849  -1.719   1.036  1.00  0.00           H  
HETATM   50  H   UNL     1     -15.026  -1.156  -0.176  1.00  0.00           H  
HETATM   51  H   UNL     1      12.288  -1.360   3.157  1.00  0.00           H  
HETATM   52  H   UNL     1      11.028  -0.170   2.752  1.00  0.00           H  
HETATM   53  H   UNL     1      10.916  -1.833   2.126  1.00  0.00           H  
HETATM   54  H   UNL     1      13.966  -2.035   1.487  1.00  0.00           H  
HETATM   55  H   UNL     1      12.649  -2.633   0.451  1.00  0.00           H  
HETATM   56  H   UNL     1      13.837  -1.477  -0.198  1.00  0.00           H  
HETATM   57  H   UNL     1     -11.102   2.182   1.849  1.00  0.00           H  
HETATM   58  H   UNL     1     -12.416   2.704   0.767  1.00  0.00           H  
HETATM   59  H   UNL     1     -12.775   2.260   2.453  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.074  -0.219   2.676  1.00  0.00           H  
HETATM   61  H   UNL     1     -12.783  -0.098   3.159  1.00  0.00           H  
HETATM   62  H   UNL     1     -12.264  -1.378   2.037  1.00  0.00           H  
HETATM   63  H   UNL     1      10.129  -1.949  -0.099  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.132   1.953  -0.094  1.00  0.00           H  
HETATM   65  H   UNL     1      10.148   1.853  -1.673  1.00  0.00           H  
HETATM   66  H   UNL     1      11.335   1.339  -2.895  1.00  0.00           H  
HETATM   67  H   UNL     1      10.182   0.161  -2.223  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.179  -1.819  -1.739  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.378  -1.273  -2.936  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.212  -0.115  -2.252  1.00  0.00           H  
HETATM   71  H   UNL     1       9.092   0.961  -0.001  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.094  -0.957  -0.079  1.00  0.00           H  
HETATM   73  H   UNL     1       7.680  -2.635   0.953  1.00  0.00           H  
HETATM   74  H   UNL     1       6.794  -2.556  -0.589  1.00  0.00           H  
HETATM   75  H   UNL     1       8.572  -2.654  -0.587  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.686   2.599   1.022  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.794   2.580  -0.519  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.571   2.678  -0.521  1.00  0.00           H  
HETATM   79  H   UNL     1       6.689   1.085  -0.004  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.691  -1.082  -0.076  1.00  0.00           H  
HETATM   81  H   UNL     1       5.323  -1.702  -0.062  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.325   1.706  -0.019  1.00  0.00           H  
HETATM   83  H   UNL     1       4.286   1.209  -0.007  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.288  -1.206  -0.073  1.00  0.00           H  
HETATM   85  H   UNL     1       1.884   1.333  -0.010  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.886  -1.330  -0.071  1.00  0.00           H  
HETATM   87  H   UNL     1       2.879  -2.347  -1.108  1.00  0.00           H  
HETATM   88  H   UNL     1       3.764  -2.426   0.434  1.00  0.00           H  
HETATM   89  H   UNL     1       1.987  -2.328   0.432  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.881   2.350   1.027  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.989   2.331  -0.513  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.766   2.430  -0.515  1.00  0.00           H  
HETATM   93  H   UNL     1       0.517  -1.454  -0.068  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.519   1.457  -0.013  1.00  0.00           H  
CONECT    1   17   17                                                 
CONECT    2   18   18                                                 
CONECT    3    7   11   12    5                                       
CONECT    4    6   13   14    8                                       
CONECT    5    3    9   43   44                                       
CONECT    6   10    4   45   46                                       
CONECT    7   19   15   15    3                                       
CONECT    8    4   16   16   20                                       
CONECT    9   17    5   47   48                                       
CONECT   10    6   18   49   50                                       
CONECT   11    3   51   52   53                                       
CONECT   12    3   54   55   56                                       
CONECT   13    4   57   58   59                                       
CONECT   14    4   60   61   62                                       
CONECT   15   21    7    7   17                                       
CONECT   16   18    8    8   22                                       
CONECT   17   15    1    1    9                                       
CONECT   18   10    2    2   16                                       
CONECT   19   23   23    7   63                                       
CONECT   20    8   24   24   64                                       
CONECT   21   15   65   66   67                                       
CONECT   22   16   68   69   70                                       
CONECT   23   25   19   19   71                                       
CONECT   24   20   20   26   72                                       
CONECT   25   27   29   29   23                                       
CONECT   26   24   30   30   28                                       
CONECT   27   25   73   74   75                                       
CONECT   28   26   76   77   78                                       
CONECT   29   31   25   25   79                                       
CONECT   30   26   26   32   80                                       
CONECT   31   33   33   29   81                                       
CONECT   32   30   34   34   82                                       
CONECT   33   35   31   31   83                                       
CONECT   34   32   32   36   84                                       
CONECT   35   39   37   37   33                                       
CONECT   36   34   38   38   40                                       
CONECT   37   41   35   35   85                                       
CONECT   38   36   36   42   86                                       
CONECT   39   35   87   88   89                                       
CONECT   40   36   90   91   92                                       
CONECT   41   42   42   37   93                                       
CONECT   42   38   41   41   94                                       
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   39                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   40                                                      
CONECT   92   40                                                      
CONECT   93   41                                                      
CONECT   94   42                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
