COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      14.245  -0.285  -0.121  1.00  0.00           O  
HETATM    2  C   UNL     1      13.420  -0.961   0.456  1.00  0.00           C  
HETATM    3  C   UNL     1      13.634  -2.445   0.609  1.00  0.00           C  
HETATM    4  O   UNL     1      14.872  -2.812  -0.005  1.00  0.00           O  
HETATM    5  C   UNL     1      15.172  -4.207   0.083  1.00  0.00           C  
HETATM    6  N   UNL     1      12.314  -0.384   0.966  1.00  0.00           N  
HETATM    7  C   UNL     1      12.084   1.062   0.829  1.00  0.00           C  
HETATM    8  C   UNL     1      10.679   1.280   0.259  1.00  0.00           C  
HETATM    9  C   UNL     1      11.301  -1.186   1.670  1.00  0.00           C  
HETATM   10  C   UNL     1       9.927  -0.874   1.065  1.00  0.00           C  
HETATM   11  N   UNL     1       9.700   0.573   1.095  1.00  0.00           N  
HETATM   12  C   UNL     1       8.393   0.883   0.703  1.00  0.00           C  
HETATM   13  C   UNL     1       7.513  -0.133   0.353  1.00  0.00           C  
HETATM   14  C   UNL     1       6.222   0.171  -0.034  1.00  0.00           C  
HETATM   15  C   UNL     1       7.974   2.206   0.670  1.00  0.00           C  
HETATM   16  C   UNL     1       6.680   2.513   0.282  1.00  0.00           C  
HETATM   17  O   UNL     1       6.268   3.808   0.249  1.00  0.00           O  
HETATM   18  C   UNL     1       7.222   4.802   0.627  1.00  0.00           C  
HETATM   19  C   UNL     1       5.802   1.492  -0.074  1.00  0.00           C  
HETATM   20  N   UNL     1       4.490   1.799  -0.468  1.00  0.00           N  
HETATM   21  C   UNL     1       3.487   0.856  -0.329  1.00  0.00           C  
HETATM   22  N   UNL     1       3.752  -0.285   0.292  1.00  0.00           N  
HETATM   23  N   UNL     1       2.280   1.117  -0.814  1.00  0.00           N  
HETATM   24  C   UNL     1       1.306   0.232  -0.692  1.00  0.00           C  
HETATM   25  N   UNL     1       0.018   0.484  -1.166  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.411   1.449  -2.023  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.739   1.319  -2.199  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.162   0.179  -1.372  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.042  -0.279  -0.759  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.895  -1.414   0.223  1.00  0.00           C  
HETATM   31  C   UNL     1       0.490  -2.043   0.050  1.00  0.00           C  
HETATM   32  C   UNL     1       1.556  -0.992  -0.072  1.00  0.00           C  
HETATM   33  C   UNL     1       2.824  -1.219   0.434  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.527  -0.357  -1.237  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.736  -1.312  -0.512  1.00  0.00           O  
HETATM   36  N   UNL     1      -4.544   0.209  -1.916  1.00  0.00           N  
HETATM   37  C   UNL     1      -5.865  -0.222  -1.693  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.297  -1.554  -1.616  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.424  -2.774  -1.757  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.476  -3.590  -0.464  1.00  0.00           C  
HETATM   41  N   UNL     1      -7.588  -1.556  -1.400  1.00  0.00           N  
HETATM   42  N   UNL     1      -8.026  -0.228  -1.332  1.00  0.00           N  
HETATM   43  C   UNL     1      -6.947   0.578  -1.510  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.951   2.085  -1.512  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.720   2.597  -0.089  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.404   0.215  -1.103  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.646   0.375   0.399  1.00  0.00           C  
HETATM   48  O   UNL     1     -10.990   0.806   0.622  1.00  0.00           O  
HETATM   49  C   UNL     1     -11.321   0.987   2.000  1.00  0.00           C  
HETATM   50  C   UNL     1     -12.776   1.447   2.119  1.00  0.00           C  
HETATM   51  O   UNL     1     -13.643   0.411   1.654  1.00  0.00           O  
HETATM   52  C   UNL     1     -15.031   0.740   1.723  1.00  0.00           C  
HETATM   53  C   UNL     1     -15.861  -0.435   1.203  1.00  0.00           C  
HETATM   54  O   UNL     1     -15.695  -1.557   2.073  1.00  0.00           O  
HETATM   55  C   UNL     1     -16.432  -2.715   1.676  1.00  0.00           C  
HETATM   56  H   UNL     1      13.664  -2.701   1.668  1.00  0.00           H  
HETATM   57  H   UNL     1      12.817  -2.981   0.128  1.00  0.00           H  
HETATM   58  H   UNL     1      16.126  -4.404  -0.405  1.00  0.00           H  
HETATM   59  H   UNL     1      15.234  -4.499   1.132  1.00  0.00           H  
HETATM   60  H   UNL     1      14.387  -4.780  -0.408  1.00  0.00           H  
HETATM   61  H   UNL     1      12.162   1.539   1.806  1.00  0.00           H  
HETATM   62  H   UNL     1      12.826   1.488   0.153  1.00  0.00           H  
HETATM   63  H   UNL     1      10.450   2.346   0.254  1.00  0.00           H  
HETATM   64  H   UNL     1      10.635   0.893  -0.759  1.00  0.00           H  
HETATM   65  H   UNL     1      11.523  -2.246   1.548  1.00  0.00           H  
HETATM   66  H   UNL     1      11.304  -0.931   2.730  1.00  0.00           H  
HETATM   67  H   UNL     1       9.895  -1.227   0.034  1.00  0.00           H  
HETATM   68  H   UNL     1       9.152  -1.375   1.645  1.00  0.00           H  
HETATM   69  H   UNL     1       7.839  -1.163   0.383  1.00  0.00           H  
HETATM   70  H   UNL     1       5.540  -0.621  -0.306  1.00  0.00           H  
HETATM   71  H   UNL     1       8.656   2.996   0.947  1.00  0.00           H  
HETATM   72  H   UNL     1       7.545   4.624   1.652  1.00  0.00           H  
HETATM   73  H   UNL     1       8.083   4.752  -0.040  1.00  0.00           H  
HETATM   74  H   UNL     1       6.765   5.790   0.556  1.00  0.00           H  
HETATM   75  H   UNL     1       4.287   2.673  -0.837  1.00  0.00           H  
HETATM   76  H   UNL     1       0.213   2.199  -2.487  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.371   1.932  -2.824  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.999  -1.033   1.239  1.00  0.00           H  
HETATM   79  H   UNL     1       0.706  -2.672   0.912  1.00  0.00           H  
HETATM   80  H   UNL     1       3.054  -2.146   0.938  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.365   0.915  -2.557  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.783  -3.384  -2.586  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.397  -2.465  -1.950  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.715  -4.370  -0.495  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.290  -2.935   0.387  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.461  -4.047  -0.362  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.157   2.449  -2.163  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.913   2.445  -1.876  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.515   2.233   0.562  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.758   2.237   0.275  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.723   3.687  -0.091  1.00  0.00           H  
HETATM   92  H   UNL     1      -9.566   1.171  -1.601  1.00  0.00           H  
HETATM   93  H   UNL     1     -10.095  -0.526  -1.506  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.484  -0.581   0.897  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.955   1.115   0.801  1.00  0.00           H  
HETATM   96  H   UNL     1     -11.194   0.044   2.531  1.00  0.00           H  
HETATM   97  H   UNL     1     -10.665   1.741   2.436  1.00  0.00           H  
HETATM   98  H   UNL     1     -13.002   1.671   3.161  1.00  0.00           H  
HETATM   99  H   UNL     1     -12.924   2.343   1.515  1.00  0.00           H  
HETATM  100  H   UNL     1     -15.305   0.949   2.757  1.00  0.00           H  
HETATM  101  H   UNL     1     -15.226   1.621   1.111  1.00  0.00           H  
HETATM  102  H   UNL     1     -16.913  -0.152   1.172  1.00  0.00           H  
HETATM  103  H   UNL     1     -15.526  -0.701   0.200  1.00  0.00           H  
HETATM  104  H   UNL     1     -16.253  -3.521   2.387  1.00  0.00           H  
HETATM  105  H   UNL     1     -17.496  -2.479   1.655  1.00  0.00           H  
HETATM  106  H   UNL     1     -16.109  -3.028   0.683  1.00  0.00           H  
HETATM  107  H   UNL     1      -1.664  -2.163   0.034  1.00  0.00           H  
HETATM  108  H   UNL     1       0.492  -2.658  -0.850  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    6    3    1    1                                       
CONECT    3    2    4   56   57                                       
CONECT    4    3    5                                                 
CONECT    5    4   58   59   60                                       
CONECT    6    9    7    2                                            
CONECT    7    8    6   61   62                                       
CONECT    8   11    7   63   64                                       
CONECT    9   10    6   65   66                                       
CONECT   10   11    9   67   68                                       
CONECT   11   12   10    8                                            
CONECT   12   15   15   13   11                                       
CONECT   13   14   14   12   69                                       
CONECT   14   19   13   13   70                                       
CONECT   15   16   12   12   71                                       
CONECT   16   17   19   19   15                                       
CONECT   17   18   16                                                 
CONECT   18   17   72   73   74                                       
CONECT   19   20   16   16   14                                       
CONECT   20   21   19   75                                            
CONECT   21   22   20   23   23                                       
CONECT   22   33   33   21                                            
CONECT   23   21   21   24                                            
CONECT   24   32   32   23   25                                       
CONECT   25   24   29   26                                            
CONECT   26   25   27   27   76                                       
CONECT   27   28   26   26   77                                       
CONECT   28   29   29   34   27                                       
CONECT   29   30   25   28   28                                       
CONECT   30   31   29   78  107                                       
CONECT   31   32   30   79  108                                       
CONECT   32   33   31   24   24                                       
CONECT   33   22   22   32   80                                       
CONECT   34   35   35   28   36                                       
CONECT   35   34   34                                                 
CONECT   36   34   37   81                                            
CONECT   37   43   43   36   38                                       
CONECT   38   37   41   41   39                                       
CONECT   39   40   38   82   83                                       
CONECT   40   39   84   85   86                                       
CONECT   41   42   38   38                                            
CONECT   42   46   43   41                                            
CONECT   43   44   42   37   37                                       
CONECT   44   43   45   87   88                                       
CONECT   45   44   89   90   91                                       
CONECT   46   47   42   92   93                                       
CONECT   47   48   46   94   95                                       
CONECT   48   47   49                                                 
CONECT   49   50   48   96   97                                       
CONECT   50   51   49   98   99                                       
CONECT   51   52   50                                                 
CONECT   52   53   51  100  101                                       
CONECT   53   54   52  102  103                                       
CONECT   54   55   53                                                 
CONECT   55   54  104  105  106                                       
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    5                                                      
CONECT   59    5                                                      
CONECT   60    5                                                      
CONECT   61    7                                                      
CONECT   62    7                                                      
CONECT   63    8                                                      
CONECT   64    8                                                      
CONECT   65    9                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   10                                                      
CONECT   69   13                                                      
CONECT   70   14                                                      
CONECT   71   15                                                      
CONECT   72   18                                                      
CONECT   73   18                                                      
CONECT   74   18                                                      
CONECT   75   20                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   33                                                      
CONECT   81   36                                                      
CONECT   82   39                                                      
CONECT   83   39                                                      
CONECT   84   40                                                      
CONECT   85   40                                                      
CONECT   86   40                                                      
CONECT   87   44                                                      
CONECT   88   44                                                      
CONECT   89   45                                                      
CONECT   90   45                                                      
CONECT   91   45                                                      
CONECT   92   46                                                      
CONECT   93   46                                                      
CONECT   94   47                                                      
CONECT   95   47                                                      
CONECT   96   49                                                      
CONECT   97   49                                                      
CONECT   98   50                                                      
CONECT   99   50                                                      
CONECT  100   52                                                      
CONECT  101   52                                                      
CONECT  102   53                                                      
CONECT  103   53                                                      
CONECT  104   55                                                      
CONECT  105   55                                                      
CONECT  106   55                                                      
CONECT  107   30                                                      
CONECT  108   31                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
