COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.038  -6.191  -1.254  1.00  0.00           C  
HETATM    2  C   UNL     1      12.097  -7.278  -1.449  1.00  0.00           C  
HETATM    3  C   UNL     1      13.431  -6.628  -1.824  1.00  0.00           C  
HETATM    4  C   UNL     1      14.064  -6.009  -0.576  1.00  0.00           C  
HETATM    5  C   UNL     1      13.942  -6.984   0.596  1.00  0.00           C  
HETATM    6  C   UNL     1      12.995  -6.402   1.647  1.00  0.00           C  
HETATM    7  C   UNL     1      11.549  -6.548   1.166  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.479   0.452   1.487  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.889   0.199   0.373  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.685   1.186  -0.747  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.972   2.365  -0.237  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.838   3.159   0.673  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.163   4.554   0.676  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.691   4.713  -0.787  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.601   3.278  -1.339  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.338   5.376  -0.831  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.380   4.770  -1.262  1.00  0.00           O  
HETATM   18  N   UNL     1      -2.194   6.642  -0.392  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.919   7.220  -0.329  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.764   8.586  -0.566  1.00  0.00           C  
HETATM   21  C   UNL     1       0.469   9.168  -0.510  1.00  0.00           C  
HETATM   22  C   UNL     1       1.592   8.398  -0.213  1.00  0.00           C  
HETATM   23  N   UNL     1       2.929   8.685  -0.087  1.00  0.00           N  
HETATM   24  N   UNL     1       3.624   7.514   0.227  1.00  0.00           N  
HETATM   25  C   UNL     1       2.790   6.505   0.305  1.00  0.00           C  
HETATM   26  C   UNL     1       3.143   5.100   0.617  1.00  0.00           C  
HETATM   27  C   UNL     1       2.277   4.291   1.359  1.00  0.00           C  
HETATM   28  C   UNL     1       2.641   2.985   1.630  1.00  0.00           C  
HETATM   29  N   UNL     1       3.784   2.496   1.201  1.00  0.00           N  
HETATM   30  C   UNL     1       4.639   3.225   0.492  1.00  0.00           C  
HETATM   31  C   UNL     1       4.347   4.546   0.171  1.00  0.00           C  
HETATM   32  C   UNL     1       5.913   2.623   0.034  1.00  0.00           C  
HETATM   33  O   UNL     1       6.699   3.285  -0.615  1.00  0.00           O  
HETATM   34  N   UNL     1       6.200   1.342   0.337  1.00  0.00           N  
HETATM   35  C   UNL     1       7.459   0.746  -0.116  1.00  0.00           C  
HETATM   36  C   UNL     1       7.537  -0.706   0.357  1.00  0.00           C  
HETATM   37  C   UNL     1       8.852  -1.328  -0.116  1.00  0.00           C  
HETATM   38  N   UNL     1       8.926  -2.719   0.338  1.00  0.00           N  
HETATM   39  C   UNL     1      10.004  -3.470   0.036  1.00  0.00           C  
HETATM   40  O   UNL     1      10.914  -2.993  -0.612  1.00  0.00           O  
HETATM   41  O   UNL     1      10.071  -4.748   0.453  1.00  0.00           O  
HETATM   42  C   UNL     1      11.262  -5.498   0.091  1.00  0.00           C  
HETATM   43  C   UNL     1       1.445   7.020   0.027  1.00  0.00           C  
HETATM   44  C   UNL     1       0.178   6.437  -0.028  1.00  0.00           C  
HETATM   45  N   UNL     1      -5.525  -0.966   0.138  1.00  0.00           N  
HETATM   46  C   UNL     1      -5.734  -1.943   1.217  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.216  -2.332   1.241  1.00  0.00           C  
HETATM   48  N   UNL     1      -7.622  -2.786  -0.096  1.00  0.00           N  
HETATM   49  C   UNL     1      -7.499  -1.707  -1.085  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.034  -1.290  -1.203  1.00  0.00           C  
HETATM   51  C   UNL     1      -8.916  -3.302  -0.077  1.00  0.00           C  
HETATM   52  C   UNL     1      -9.637  -3.326   1.113  1.00  0.00           C  
HETATM   53  C   UNL     1     -10.917  -3.835   1.134  1.00  0.00           C  
HETATM   54  C   UNL     1     -11.490  -4.327  -0.039  1.00  0.00           C  
HETATM   55  C   UNL     1     -10.766  -4.301  -1.231  1.00  0.00           C  
HETATM   56  C   UNL     1      -9.488  -3.786  -1.248  1.00  0.00           C  
HETATM   57  C   UNL     1     -12.866  -4.876  -0.018  1.00  0.00           C  
HETATM   58  N   UNL     1     -13.542  -4.887   1.124  1.00  0.00           N  
HETATM   59  C   UNL     1     -14.771  -5.370   1.176  1.00  0.00           C  
HETATM   60  C   UNL     1     -15.353  -5.868   0.019  1.00  0.00           C  
HETATM   61  C   UNL     1     -14.619  -5.840  -1.157  1.00  0.00           C  
HETATM   62  N   UNL     1     -13.396  -5.339  -1.143  1.00  0.00           N  
HETATM   63  H   UNL     1      11.116  -5.459  -2.057  1.00  0.00           H  
HETATM   64  H   UNL     1      10.046  -6.643  -1.269  1.00  0.00           H  
HETATM   65  H   UNL     1      12.215  -7.842  -0.524  1.00  0.00           H  
HETATM   66  H   UNL     1      11.784  -7.951  -2.247  1.00  0.00           H  
HETATM   67  H   UNL     1      14.101  -7.384  -2.234  1.00  0.00           H  
HETATM   68  H   UNL     1      13.260  -5.851  -2.568  1.00  0.00           H  
HETATM   69  H   UNL     1      15.117  -5.802  -0.768  1.00  0.00           H  
HETATM   70  H   UNL     1      13.550  -5.080  -0.331  1.00  0.00           H  
HETATM   71  H   UNL     1      13.547  -7.935   0.238  1.00  0.00           H  
HETATM   72  H   UNL     1      14.924  -7.143   1.041  1.00  0.00           H  
HETATM   73  H   UNL     1      13.120  -6.939   2.587  1.00  0.00           H  
HETATM   74  H   UNL     1      13.223  -5.347   1.798  1.00  0.00           H  
HETATM   75  H   UNL     1      11.404  -7.544   0.749  1.00  0.00           H  
HETATM   76  H   UNL     1      10.870  -6.403   2.006  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.099   0.722  -1.539  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.654   1.491  -1.143  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.852   3.223   0.280  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.841   2.728   1.674  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.883   5.330   0.936  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.316   4.571   1.362  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.415   5.294  -1.359  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.583   3.070  -1.668  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.295   3.157  -2.171  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.972   7.153  -0.119  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.630   9.190  -0.796  1.00  0.00           H  
HETATM   88  H   UNL     1       0.575  10.227  -0.696  1.00  0.00           H  
HETATM   89  H   UNL     1       3.328   9.562  -0.200  1.00  0.00           H  
HETATM   90  H   UNL     1       1.336   4.682   1.717  1.00  0.00           H  
HETATM   91  H   UNL     1       1.976   2.356   2.204  1.00  0.00           H  
HETATM   92  H   UNL     1       5.043   5.137  -0.406  1.00  0.00           H  
HETATM   93  H   UNL     1       5.572   0.813   0.854  1.00  0.00           H  
HETATM   94  H   UNL     1       7.505   0.776  -1.205  1.00  0.00           H  
HETATM   95  H   UNL     1       8.297   1.308   0.298  1.00  0.00           H  
HETATM   96  H   UNL     1       7.491  -0.736   1.446  1.00  0.00           H  
HETATM   97  H   UNL     1       6.700  -1.269  -0.056  1.00  0.00           H  
HETATM   98  H   UNL     1       8.897  -1.298  -1.204  1.00  0.00           H  
HETATM   99  H   UNL     1       9.689  -0.766   0.298  1.00  0.00           H  
HETATM  100  H   UNL     1       8.199  -3.099   0.856  1.00  0.00           H  
HETATM  101  H   UNL     1      12.109  -4.817   0.013  1.00  0.00           H  
HETATM  102  H   UNL     1       0.056   5.380   0.161  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.126  -2.829   1.031  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.456  -1.499   2.172  1.00  0.00           H  
HETATM  105  H   UNL     1      -7.369  -3.137   1.960  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.814  -1.468   1.529  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.858  -2.058  -2.053  1.00  0.00           H  
HETATM  108  H   UNL     1      -8.094  -0.851  -0.765  1.00  0.00           H  
HETATM  109  H   UNL     1      -5.954  -0.415  -1.849  1.00  0.00           H  
HETATM  110  H   UNL     1      -5.452  -2.111  -1.621  1.00  0.00           H  
HETATM  111  H   UNL     1      -9.192  -2.945   2.020  1.00  0.00           H  
HETATM  112  H   UNL     1     -11.475  -3.854   2.058  1.00  0.00           H  
HETATM  113  H   UNL     1     -11.208  -4.682  -2.140  1.00  0.00           H  
HETATM  114  H   UNL     1      -8.929  -3.762  -2.172  1.00  0.00           H  
HETATM  115  H   UNL     1     -15.316  -5.377   2.108  1.00  0.00           H  
HETATM  116  H   UNL     1     -16.356  -6.268   0.034  1.00  0.00           H  
HETATM  117  H   UNL     1     -15.043  -6.220  -2.075  1.00  0.00           H  
CONECT    1   42    2   63   64                                       
CONECT    2    3    1   65   66                                       
CONECT    3    4    2   67   68                                       
CONECT    4    5    3   69   70                                       
CONECT    5    6    4   71   72                                       
CONECT    6    7    5   73   74                                       
CONECT    7    6   42   75   76                                       
CONECT    8    9    9                                                 
CONECT    9   10   45    8    8                                       
CONECT   10   11    9   77   78                                       
CONECT   11   15   12   10                                            
CONECT   12   13   11   79   80                                       
CONECT   13   14   12   81   82                                       
CONECT   14   16   15   13   83                                       
CONECT   15   14   11   84   85                                       
CONECT   16   18   14   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   19   16   86                                            
CONECT   19   44   18   20   20                                       
CONECT   20   19   19   21   87                                       
CONECT   21   22   22   20   88                                       
CONECT   22   43   23   21   21                                       
CONECT   23   24   22   89                                            
CONECT   24   25   25   23                                            
CONECT   25   26   24   24   43                                       
CONECT   26   27   27   31   25                                       
CONECT   27   28   26   26   90                                       
CONECT   28   29   29   27   91                                       
CONECT   29   28   28   30                                            
CONECT   30   29   32   31   31                                       
CONECT   31   30   30   26   92                                       
CONECT   32   33   33   30   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35   93                                            
CONECT   35   34   36   94   95                                       
CONECT   36   35   37   96   97                                       
CONECT   37   36   38   98   99                                       
CONECT   38   37   39  100                                            
CONECT   39   38   41   40   40                                       
CONECT   40   39   39                                                 
CONECT   41   42   39                                                 
CONECT   42    7   41    1  101                                       
CONECT   43   25   44   44   22                                       
CONECT   44   43   43   19  102                                       
CONECT   45   50    9   46                                            
CONECT   46   45   47  103  104                                       
CONECT   47   48   46  105  106                                       
CONECT   48   49   51   47                                            
CONECT   49   50   48  107  108                                       
CONECT   50   49   45  109  110                                       
CONECT   51   52   48   56   56                                       
CONECT   52   53   53   51  111                                       
CONECT   53   52   52   54  112                                       
CONECT   54   53   57   55   55                                       
CONECT   55   54   54   56  113                                       
CONECT   56   51   51   55  114                                       
CONECT   57   58   54   62   62                                       
CONECT   58   59   59   57                                            
CONECT   59   58   58   60  115                                       
CONECT   60   59   61   61  116                                       
CONECT   61   60   60   62  117                                       
CONECT   62   57   57   61                                            
CONECT   63    1                                                      
CONECT   64    1                                                      
CONECT   65    2                                                      
CONECT   66    2                                                      
CONECT   67    3                                                      
CONECT   68    3                                                      
CONECT   69    4                                                      
CONECT   70    4                                                      
CONECT   71    5                                                      
CONECT   72    5                                                      
CONECT   73    6                                                      
CONECT   74    6                                                      
CONECT   75    7                                                      
CONECT   76    7                                                      
CONECT   77   10                                                      
CONECT   78   10                                                      
CONECT   79   12                                                      
CONECT   80   12                                                      
CONECT   81   13                                                      
CONECT   82   13                                                      
CONECT   83   14                                                      
CONECT   84   15                                                      
CONECT   85   15                                                      
CONECT   86   18                                                      
CONECT   87   20                                                      
CONECT   88   21                                                      
CONECT   89   23                                                      
CONECT   90   27                                                      
CONECT   91   28                                                      
CONECT   92   31                                                      
CONECT   93   34                                                      
CONECT   94   35                                                      
CONECT   95   35                                                      
CONECT   96   36                                                      
CONECT   97   36                                                      
CONECT   98   37                                                      
CONECT   99   37                                                      
CONECT  100   38                                                      
CONECT  101   42                                                      
CONECT  102   44                                                      
CONECT  103   46                                                      
CONECT  104   46                                                      
CONECT  105   47                                                      
CONECT  106   47                                                      
CONECT  107   49                                                      
CONECT  108   49                                                      
CONECT  109   50                                                      
CONECT  110   50                                                      
CONECT  111   52                                                      
CONECT  112   53                                                      
CONECT  113   55                                                      
CONECT  114   56                                                      
CONECT  115   59                                                      
CONECT  116   60                                                      
CONECT  117   61                                                      
MASTER        0    0    0    0    0    0    0    0  117    0  117    0
END
