COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      64.436  -5.630  25.490  1.00  0.00           C  
HETATM    2  C   UNL     1      64.996  -6.599  24.788  1.00  0.00           C  
HETATM    3  C   UNL     1      72.189  -5.513  20.598  1.00  0.00           C  
HETATM    4  C   UNL     1      65.837  -6.371  23.596  1.00  0.00           C  
HETATM    5  C   UNL     1      66.840  -4.952  21.743  1.00  0.00           C  
HETATM    6  C   UNL     1      66.268  -7.455  22.952  1.00  0.00           C  
HETATM    7  C   UNL     1      68.035  -8.663  21.709  1.00  0.00           C  
HETATM    8  C   UNL     1      68.700 -10.321  20.240  1.00  0.00           C  
HETATM    9  C   UNL     1      69.989 -10.994  19.776  1.00  0.00           C  
HETATM   10  C   UNL     1      71.296 -10.354  20.247  1.00  0.00           C  
HETATM   11  C   UNL     1      71.225  -6.823  23.326  1.00  0.00           C  
HETATM   12  O   UNL     1      76.416  -8.396  18.620  1.00  0.00           O  
HETATM   13  C   UNL     1      75.379  -8.420  17.630  1.00  0.00           C  
HETATM   14  C   UNL     1      75.957  -8.520  16.209  1.00  0.00           C  
HETATM   15  C   UNL     1      74.594  -7.123  17.817  1.00  0.00           C  
HETATM   16  C   UNL     1      73.256  -7.096  17.077  1.00  0.00           C  
HETATM   17  C   UNL     1      72.467  -8.394  17.238  1.00  0.00           C  
HETATM   18  O   UNL     1      73.319  -9.528  17.102  1.00  0.00           O  
HETATM   19  C   UNL     1      74.456  -9.583  17.965  1.00  0.00           C  
HETATM   20  O   UNL     1      74.034  -9.499  19.313  1.00  0.00           O  
HETATM   21  C   UNL     1      75.087 -10.967  17.864  1.00  0.00           C  
HETATM   22  C   UNL     1      74.623 -11.716  19.103  1.00  0.00           C  
HETATM   23  C   UNL     1      73.704 -10.757  19.855  1.00  0.00           C  
HETATM   24  O   UNL     1      72.325 -11.041  19.528  1.00  0.00           O  
HETATM   25  C   UNL     1      73.940 -10.800  21.353  1.00  0.00           C  
HETATM   26  C   UNL     1      72.879 -10.004  22.097  1.00  0.00           C  
HETATM   27  C   UNL     1      71.488 -10.522  21.743  1.00  0.00           C  
HETATM   28  O   UNL     1      68.318 -10.895  21.472  1.00  0.00           O  
HETATM   29  O   UNL     1      68.768  -8.910  20.501  1.00  0.00           O  
HETATM   30  C   UNL     1      67.596 -10.653  19.253  1.00  0.00           C  
HETATM   31  C   UNL     1      66.231 -10.142  19.697  1.00  0.00           C  
HETATM   32  C   UNL     1      65.085 -10.783  18.922  1.00  0.00           C  
HETATM   33  C   UNL     1      66.039 -10.275  21.202  1.00  0.00           C  
HETATM   34  O   UNL     1      65.607 -11.590  21.498  1.00  0.00           O  
HETATM   35  C   UNL     1      71.357  -8.517  16.180  1.00  0.00           C  
HETATM   36  C   UNL     1      70.328  -7.411  16.277  1.00  0.00           C  
HETATM   37  C   UNL     1      70.087  -6.694  15.209  1.00  0.00           C  
HETATM   38  C   UNL     1      69.640  -7.204  17.607  1.00  0.00           C  
HETATM   39  C   UNL     1      68.430  -6.290  17.568  1.00  0.00           C  
HETATM   40  C   UNL     1      67.672  -6.366  18.886  1.00  0.00           C  
HETATM   41  C   UNL     1      68.337  -5.761  20.112  1.00  0.00           C  
HETATM   42  N   UNL     1      69.258  -4.938  19.878  1.00  0.00           N  
HETATM   43  C   UNL     1      70.116  -4.151  20.755  1.00  0.00           C  
HETATM   44  C   UNL     1      71.059  -5.076  21.526  1.00  0.00           C  
HETATM   45  C   UNL     1      70.382  -6.277  22.167  1.00  0.00           C  
HETATM   46  C   UNL     1      68.955  -5.944  22.622  1.00  0.00           C  
HETATM   47  C   UNL     1      67.867  -6.063  21.537  1.00  0.00           C  
HETATM   48  C   UNL     1      66.176  -4.974  23.116  1.00  0.00           C  
HETATM   49  C   UNL     1      67.119  -7.419  21.694  1.00  0.00           C  
HETATM   50  C   UNL     1      67.339 -10.007  21.969  1.00  0.00           C  
HETATM   51  H   UNL     1      64.583  -4.600  25.201  1.00  0.00           H  
HETATM   52  H   UNL     1      63.832  -5.868  26.353  1.00  0.00           H  
HETATM   53  H   UNL     1      64.829  -7.618  25.105  1.00  0.00           H  
HETATM   54  H   UNL     1      72.874  -6.179  21.142  1.00  0.00           H  
HETATM   55  H   UNL     1      71.768  -6.047  19.734  1.00  0.00           H  
HETATM   56  H   UNL     1      72.740  -4.627  20.249  1.00  0.00           H  
HETATM   57  H   UNL     1      67.347  -3.984  21.618  1.00  0.00           H  
HETATM   58  H   UNL     1      66.057  -5.057  20.978  1.00  0.00           H  
HETATM   59  H   UNL     1      65.995  -8.421  23.350  1.00  0.00           H  
HETATM   60  H   UNL     1      68.759  -8.515  22.524  1.00  0.00           H  
HETATM   61  H   UNL     1      69.974 -12.032  20.139  1.00  0.00           H  
HETATM   62  H   UNL     1      69.992 -10.990  18.676  1.00  0.00           H  
HETATM   63  H   UNL     1      71.291  -9.283  19.994  1.00  0.00           H  
HETATM   64  H   UNL     1      70.716  -7.690  23.774  1.00  0.00           H  
HETATM   65  H   UNL     1      72.211  -7.131  22.948  1.00  0.00           H  
HETATM   66  H   UNL     1      71.353  -6.039  24.087  1.00  0.00           H  
HETATM   67  H   UNL     1      76.027  -8.334  19.485  1.00  0.00           H  
HETATM   68  H   UNL     1      76.515  -9.462  16.105  1.00  0.00           H  
HETATM   69  H   UNL     1      75.136  -8.498  15.477  1.00  0.00           H  
HETATM   70  H   UNL     1      76.633  -7.671  16.028  1.00  0.00           H  
HETATM   71  H   UNL     1      75.210  -6.289  17.449  1.00  0.00           H  
HETATM   72  H   UNL     1      74.398  -6.988  18.891  1.00  0.00           H  
HETATM   73  H   UNL     1      73.449  -6.932  16.007  1.00  0.00           H  
HETATM   74  H   UNL     1      72.652  -6.266  17.472  1.00  0.00           H  
HETATM   75  H   UNL     1      71.998  -8.396  18.233  1.00  0.00           H  
HETATM   76  H   UNL     1      74.744 -11.480  16.954  1.00  0.00           H  
HETATM   77  H   UNL     1      76.184 -10.889  17.850  1.00  0.00           H  
HETATM   78  H   UNL     1      74.074 -12.625  18.817  1.00  0.00           H  
HETATM   79  H   UNL     1      75.485 -11.990  19.729  1.00  0.00           H  
HETATM   80  H   UNL     1      73.908 -11.846  21.692  1.00  0.00           H  
HETATM   81  H   UNL     1      74.930 -10.373  21.573  1.00  0.00           H  
HETATM   82  H   UNL     1      73.040 -10.107  23.180  1.00  0.00           H  
HETATM   83  H   UNL     1      72.955  -8.944  21.814  1.00  0.00           H  
HETATM   84  H   UNL     1      70.725  -9.945  22.285  1.00  0.00           H  
HETATM   85  H   UNL     1      71.405 -11.585  22.014  1.00  0.00           H  
HETATM   86  H   UNL     1      67.542 -11.746  19.141  1.00  0.00           H  
HETATM   87  H   UNL     1      67.843 -10.197  18.283  1.00  0.00           H  
HETATM   88  H   UNL     1      66.205  -9.066  19.468  1.00  0.00           H  
HETATM   89  H   UNL     1      64.127 -10.379  19.282  1.00  0.00           H  
HETATM   90  H   UNL     1      65.197 -10.560  17.851  1.00  0.00           H  
HETATM   91  H   UNL     1      65.104 -11.872  19.074  1.00  0.00           H  
HETATM   92  H   UNL     1      65.283  -9.545  21.527  1.00  0.00           H  
HETATM   93  H   UNL     1      65.485 -11.680  22.436  1.00  0.00           H  
HETATM   94  H   UNL     1      70.848  -9.483  16.315  1.00  0.00           H  
HETATM   95  H   UNL     1      71.818  -8.482  15.182  1.00  0.00           H  
HETATM   96  H   UNL     1      69.322  -5.938  15.439  1.00  0.00           H  
HETATM   97  H   UNL     1      71.012  -6.193  14.887  1.00  0.00           H  
HETATM   98  H   UNL     1      69.725  -7.348  14.402  1.00  0.00           H  
HETATM   99  H   UNL     1      69.984  -7.672  18.517  1.00  0.00           H  
HETATM  100  H   UNL     1      68.762  -5.255  17.399  1.00  0.00           H  
HETATM  101  H   UNL     1      67.766  -6.601  16.748  1.00  0.00           H  
HETATM  102  H   UNL     1      66.711  -5.850  18.744  1.00  0.00           H  
HETATM  103  H   UNL     1      67.490  -7.429  19.101  1.00  0.00           H  
HETATM  104  H   UNL     1      70.708  -3.447  20.151  1.00  0.00           H  
HETATM  105  H   UNL     1      69.493  -3.589  21.467  1.00  0.00           H  
HETATM  106  H   UNL     1      71.510  -4.482  22.335  1.00  0.00           H  
HETATM  107  H   UNL     1      70.312  -7.068  21.406  1.00  0.00           H  
HETATM  108  H   UNL     1      68.951  -4.909  22.994  1.00  0.00           H  
HETATM  109  H   UNL     1      68.692  -6.629  23.442  1.00  0.00           H  
HETATM  110  H   UNL     1      66.861  -4.512  23.842  1.00  0.00           H  
HETATM  111  H   UNL     1      65.247  -4.388  23.064  1.00  0.00           H  
HETATM  112  H   UNL     1      66.444  -7.520  20.832  1.00  0.00           H  
HETATM  113  H   UNL     1      67.174 -10.142  23.048  1.00  0.00           H  
CONECT    1    2    2   51   52                                       
CONECT    2    4    1    1   53                                       
CONECT    3   44   54   55   56                                       
CONECT    4    6    6   48    2                                       
CONECT    5   47   48   57   58                                       
CONECT    6   49    4    4   59                                       
CONECT    7   29   49   50   60                                       
CONECT    8   30    9   29   28                                       
CONECT    9    8   10   61   62                                       
CONECT   10   24    9   27   63                                       
CONECT   11   45   64   65   66                                       
CONECT   12   13   67                                                 
CONECT   13   14   15   19   12                                       
CONECT   14   13   68   69   70                                       
CONECT   15   16   13   71   72                                       
CONECT   16   17   15   73   74                                       
CONECT   17   35   16   18   75                                       
CONECT   18   17   19                                                 
CONECT   19   18   13   21   20                                       
CONECT   20   19   23                                                 
CONECT   21   19   22   76   77                                       
CONECT   22   21   23   78   79                                       
CONECT   23   22   20   24   25                                       
CONECT   24   23   10                                                 
CONECT   25   23   26   80   81                                       
CONECT   26   25   27   82   83                                       
CONECT   27   10   26   84   85                                       
CONECT   28    8   50                                                 
CONECT   29    8    7                                                 
CONECT   30   31    8   86   87                                       
CONECT   31   32   30   33   88                                       
CONECT   32   31   89   90   91                                       
CONECT   33   31   34   50   92                                       
CONECT   34   33   93                                                 
CONECT   35   36   17   94   95                                       
CONECT   36   37   35   38   38                                       
CONECT   37   36   96   97   98                                       
CONECT   38   36   36   39   99                                       
CONECT   39   38   40  100  101                                       
CONECT   40   39   41  102  103                                       
CONECT   41   40   42   42   47                                       
CONECT   42   41   41   43                                            
CONECT   43   42   44  104  105                                       
CONECT   44    3   43   45  106                                       
CONECT   45   44   46   11  107                                       
CONECT   46   47   45  108  109                                       
CONECT   47   41   49    5   46                                       
CONECT   48    5    4  110  111                                       
CONECT   49   47    7    6  112                                       
CONECT   50   33   28    7  113                                       
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   11                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   14                                                      
CONECT   69   14                                                      
CONECT   70   14                                                      
CONECT   71   15                                                      
CONECT   72   15                                                      
CONECT   73   16                                                      
CONECT   74   16                                                      
CONECT   75   17                                                      
CONECT   76   21                                                      
CONECT   77   21                                                      
CONECT   78   22                                                      
CONECT   79   22                                                      
CONECT   80   25                                                      
CONECT   81   25                                                      
CONECT   82   26                                                      
CONECT   83   26                                                      
CONECT   84   27                                                      
CONECT   85   27                                                      
CONECT   86   30                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   32                                                      
CONECT   90   32                                                      
CONECT   91   32                                                      
CONECT   92   33                                                      
CONECT   93   34                                                      
CONECT   94   35                                                      
CONECT   95   35                                                      
CONECT   96   37                                                      
CONECT   97   37                                                      
CONECT   98   37                                                      
CONECT   99   38                                                      
CONECT  100   39                                                      
CONECT  101   39                                                      
CONECT  102   40                                                      
CONECT  103   40                                                      
CONECT  104   43                                                      
CONECT  105   43                                                      
CONECT  106   44                                                      
CONECT  107   45                                                      
CONECT  108   46                                                      
CONECT  109   46                                                      
CONECT  110   48                                                      
CONECT  111   48                                                      
CONECT  112   49                                                      
CONECT  113   50                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
