COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.237 -21.134  78.296  1.00  0.00           C  
HETATM    2  C   UNL     1       8.555 -20.832  76.976  1.00  0.00           C  
HETATM    3  C   UNL     1       7.715 -22.049  76.595  1.00  0.00           C  
HETATM    4  C   UNL     1       8.587 -23.300  76.612  1.00  0.00           C  
HETATM    5  C   UNL     1       9.427 -23.420  77.900  1.00  0.00           C  
HETATM    6  C   UNL     1      10.444 -24.584  77.895  1.00  0.00           C  
HETATM    7  C   UNL     1       7.877 -18.759  75.925  1.00  0.00           C  
HETATM    8  C   UNL     1       7.475 -17.319  76.183  1.00  0.00           C  
HETATM    9  C   UNL     1       5.693 -21.689  75.204  1.00  0.00           C  
HETATM   10  C   UNL     1       5.291 -21.060  73.885  1.00  0.00           C  
HETATM   11  C   UNL     1       5.043 -23.035  75.303  1.00  0.00           C  
HETATM   12  O   UNL     1       8.304 -21.373  79.293  1.00  0.00           O  
HETATM   13  O   UNL     1       7.093 -21.836  75.333  1.00  0.00           O  
HETATM   14  O   UNL     1       7.770 -24.403  76.392  1.00  0.00           O  
HETATM   15  O   UNL     1      10.089 -22.240  78.193  1.00  0.00           O  
HETATM   16  O   UNL     1      10.518 -25.154  79.163  1.00  0.00           O  
HETATM   17  O   UNL     1       8.244 -19.082  74.793  1.00  0.00           O  
HETATM   18  O   UNL     1       4.340 -21.502  73.236  1.00  0.00           O  
HETATM   19  N   UNL     1       7.792 -19.580  76.984  1.00  0.00           N  
HETATM   20  N   UNL     1       6.011 -20.002  73.474  1.00  0.00           N  
HETATM   21  C   UNL     1       5.696 -19.335  72.210  1.00  0.00           C  
HETATM   22  C   UNL     1       6.146 -20.123  70.977  1.00  0.00           C  
HETATM   23  O   UNL     1       6.991 -21.015  71.079  1.00  0.00           O  
HETATM   24  C   UNL     1       6.353 -17.990  72.254  1.00  0.00           C  
HETATM   25  C   UNL     1       4.756 -21.531  68.289  1.00  0.00           C  
HETATM   26  N   UNL     1       5.579 -19.809  69.803  1.00  0.00           N  
HETATM   27  O   UNL     1       3.593 -21.188  68.523  1.00  0.00           O  
HETATM   28  N   UNL     1       5.076 -22.720  67.746  1.00  0.00           N  
HETATM   29  C   UNL     1       5.881 -20.577  68.603  1.00  0.00           C  
HETATM   30  C   UNL     1       6.007 -19.593  67.442  1.00  0.00           C  
HETATM   31  C   UNL     1       7.364 -18.008  66.182  1.00  0.00           C  
HETATM   32  C   UNL     1       7.203 -18.656  67.579  1.00  0.00           C  
HETATM   33  O   UNL     1       6.370 -17.559  65.610  1.00  0.00           O  
HETATM   34  O   UNL     1      11.949 -18.570  57.951  1.00  0.00           O  
HETATM   35  C   UNL     1      12.390 -17.661  58.834  1.00  0.00           C  
HETATM   36  C   UNL     1      13.099 -16.415  58.321  1.00  0.00           C  
HETATM   37  N   UNL     1      12.243 -17.774  60.062  1.00  0.00           N  
HETATM   38  C   UNL     1      12.633 -16.737  61.011  1.00  0.00           C  
HETATM   39  C   UNL     1      12.181 -17.098  62.421  1.00  0.00           C  
HETATM   40  C   UNL     1      10.679 -17.351  62.530  1.00  0.00           C  
HETATM   41  C   UNL     1      10.330 -17.803  63.959  1.00  0.00           C  
HETATM   42  C   UNL     1       8.873 -17.641  64.278  1.00  0.00           C  
HETATM   43  N   UNL     1       8.613 -18.009  65.680  1.00  0.00           N  
HETATM   44  C   UNL     1       7.979 -18.480  63.328  1.00  0.00           C  
HETATM   45  O   UNL     1       7.407 -17.989  62.333  1.00  0.00           O  
HETATM   46  N   UNL     1       7.890 -19.756  63.681  1.00  0.00           N  
HETATM   47  C   UNL     1       7.103 -20.645  62.820  1.00  0.00           C  
HETATM   48  C   UNL     1       6.684 -21.866  63.567  1.00  0.00           C  
HETATM   49  C   UNL     1       7.860 -21.048  61.598  1.00  0.00           C  
HETATM   50  O   UNL     1       9.097 -21.156  61.585  1.00  0.00           O  
HETATM   51  N   UNL     1       7.077 -21.302  60.541  1.00  0.00           N  
HETATM   52  H   UNL     1       9.833 -20.250  78.567  1.00  0.00           H  
HETATM   53  H   UNL     1       9.346 -20.737  76.217  1.00  0.00           H  
HETATM   54  H   UNL     1       7.217 -19.341  77.766  1.00  0.00           H  
HETATM   55  H   UNL     1       7.578 -16.737  75.255  1.00  0.00           H  
HETATM   56  H   UNL     1       6.429 -17.286  76.522  1.00  0.00           H  
HETATM   57  H   UNL     1       8.126 -16.890  76.959  1.00  0.00           H  
HETATM   58  H   UNL     1       6.937 -22.172  77.363  1.00  0.00           H  
HETATM   59  H   UNL     1       5.311 -21.056  76.019  1.00  0.00           H  
HETATM   60  H   UNL     1       5.323 -23.509  76.255  1.00  0.00           H  
HETATM   61  H   UNL     1       3.950 -22.918  75.259  1.00  0.00           H  
HETATM   62  H   UNL     1       5.378 -23.666  74.467  1.00  0.00           H  
HETATM   63  H   UNL     1       9.296 -23.211  75.775  1.00  0.00           H  
HETATM   64  H   UNL     1       8.718 -23.631  78.715  1.00  0.00           H  
HETATM   65  H   UNL     1      10.122 -25.347  77.171  1.00  0.00           H  
HETATM   66  H   UNL     1      11.435 -24.201  77.609  1.00  0.00           H  
HETATM   67  H   UNL     1      11.144 -25.868  79.154  1.00  0.00           H  
HETATM   68  H   UNL     1       8.296 -25.194  76.399  1.00  0.00           H  
HETATM   69  H   UNL     1       4.232 -20.990  72.443  1.00  0.00           H  
HETATM   70  H   UNL     1       8.753 -21.560  80.109  1.00  0.00           H  
HETATM   71  H   UNL     1       6.960 -20.310  73.407  1.00  0.00           H  
HETATM   72  H   UNL     1       4.608 -19.190  72.144  1.00  0.00           H  
HETATM   73  H   UNL     1       6.143 -17.448  71.320  1.00  0.00           H  
HETATM   74  H   UNL     1       5.959 -17.417  73.106  1.00  0.00           H  
HETATM   75  H   UNL     1       7.440 -18.116  72.368  1.00  0.00           H  
HETATM   76  H   UNL     1       4.942 -19.040  69.751  1.00  0.00           H  
HETATM   77  H   UNL     1       4.356 -23.373  67.512  1.00  0.00           H  
HETATM   78  H   UNL     1       6.034 -22.950  67.576  1.00  0.00           H  
HETATM   79  H   UNL     1       6.823 -21.133  68.723  1.00  0.00           H  
HETATM   80  H   UNL     1       6.115 -20.165  66.509  1.00  0.00           H  
HETATM   81  H   UNL     1       5.090 -18.986  67.396  1.00  0.00           H  
HETATM   82  H   UNL     1       7.007 -17.888  68.342  1.00  0.00           H  
HETATM   83  H   UNL     1       8.107 -19.220  67.850  1.00  0.00           H  
HETATM   84  H   UNL     1      13.148 -16.447  57.223  1.00  0.00           H  
HETATM   85  H   UNL     1      12.543 -15.520  58.637  1.00  0.00           H  
HETATM   86  H   UNL     1      14.118 -16.378  58.733  1.00  0.00           H  
HETATM   87  H   UNL     1      11.838 -18.616  60.417  1.00  0.00           H  
HETATM   88  H   UNL     1      13.728 -16.630  60.999  1.00  0.00           H  
HETATM   89  H   UNL     1      12.169 -15.785  60.716  1.00  0.00           H  
HETATM   90  H   UNL     1      12.712 -18.009  62.735  1.00  0.00           H  
HETATM   91  H   UNL     1      12.445 -16.269  63.095  1.00  0.00           H  
HETATM   92  H   UNL     1      10.134 -16.424  62.297  1.00  0.00           H  
HETATM   93  H   UNL     1      10.388 -18.137  61.817  1.00  0.00           H  
HETATM   94  H   UNL     1      10.598 -18.864  64.068  1.00  0.00           H  
HETATM   95  H   UNL     1      10.915 -17.202  64.671  1.00  0.00           H  
HETATM   96  H   UNL     1       8.606 -16.583  64.138  1.00  0.00           H  
HETATM   97  H   UNL     1       9.379 -18.264  66.270  1.00  0.00           H  
HETATM   98  H   UNL     1       8.343 -20.099  64.504  1.00  0.00           H  
HETATM   99  H   UNL     1       6.197 -20.110  62.501  1.00  0.00           H  
HETATM  100  H   UNL     1       6.096 -22.518  62.904  1.00  0.00           H  
HETATM  101  H   UNL     1       7.576 -22.407  63.916  1.00  0.00           H  
HETATM  102  H   UNL     1       6.071 -21.574  64.432  1.00  0.00           H  
HETATM  103  H   UNL     1       7.484 -21.598  59.677  1.00  0.00           H  
HETATM  104  H   UNL     1       6.086 -21.196  60.616  1.00  0.00           H  
CONECT    1    2   12   15   52                                       
CONECT    2    1    3   19   53                                       
CONECT    3    2    4   13   58                                       
CONECT    4    3    5   14   63                                       
CONECT    5    4    6   15   64                                       
CONECT    6    5   16   65   66                                       
CONECT    7    8   17   17   19                                       
CONECT    8    7   55   56   57                                       
CONECT    9   10   11   13   59                                       
CONECT   10    9   18   20                                            
CONECT   11    9   60   61   62                                       
CONECT   12    1   70                                                 
CONECT   13    3    9                                                 
CONECT   14    4   68                                                 
CONECT   15    1    5                                                 
CONECT   16    6   67                                                 
CONECT   17    7    7                                                 
CONECT   18   10   69                                                 
CONECT   19    2    7   54                                            
CONECT   20   21   71   10                                            
CONECT   21   20   22   24   72                                       
CONECT   22   21   23   23   26                                       
CONECT   23   22   22                                                 
CONECT   24   21   73   74   75                                       
CONECT   25   28   27   27   29                                       
CONECT   26   29   76   22                                            
CONECT   27   25   25                                                 
CONECT   28   25   77   78                                            
CONECT   29   25   26   30   79                                       
CONECT   30   29   32   80   81                                       
CONECT   31   32   33   33   43                                       
CONECT   32   30   31   82   83                                       
CONECT   33   31   31                                                 
CONECT   34   35   35                                                 
CONECT   35   34   34   36   37                                       
CONECT   36   35   84   85   86                                       
CONECT   37   35   38   87                                            
CONECT   38   37   39   88   89                                       
CONECT   39   38   40   90   91                                       
CONECT   40   39   41   92   93                                       
CONECT   41   40   42   94   95                                       
CONECT   42   41   43   44   96                                       
CONECT   43   42   97   31                                            
CONECT   44   42   45   45   46                                       
CONECT   45   44   44                                                 
CONECT   46   47   98   44                                            
CONECT   47   46   48   49   99                                       
CONECT   48   47  100  101  102                                       
CONECT   49   47   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51  103  104   49                                            
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54   19                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    3                                                      
CONECT   59    9                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63    4                                                      
CONECT   64    5                                                      
CONECT   65    6                                                      
CONECT   66    6                                                      
CONECT   67   16                                                      
CONECT   68   14                                                      
CONECT   69   18                                                      
CONECT   70   12                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   26                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   30                                                      
CONECT   82   32                                                      
CONECT   83   32                                                      
CONECT   84   36                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   38                                                      
CONECT   89   38                                                      
CONECT   90   39                                                      
CONECT   91   39                                                      
CONECT   92   40                                                      
CONECT   93   40                                                      
CONECT   94   41                                                      
CONECT   95   41                                                      
CONECT   96   42                                                      
CONECT   97   43                                                      
CONECT   98   46                                                      
CONECT   99   47                                                      
CONECT  100   48                                                      
CONECT  101   48                                                      
CONECT  102   48                                                      
CONECT  103   51                                                      
CONECT  104   51                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
