COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.112   0.082  -1.652  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.632   0.272  -1.860  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.378   1.596  -2.594  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.688   0.787  -0.591  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.875   0.539   0.502  1.00  0.00           C  
HETATM    6  C   UNL     1       4.314   0.193   2.464  1.00  0.00           C  
HETATM    7  C   UNL     1       4.793  -1.859   1.328  1.00  0.00           C  
HETATM    8  C   UNL     1       6.131  -1.722   1.644  1.00  0.00           C  
HETATM    9  C   UNL     1       1.598   1.807   4.621  1.00  0.00           C  
HETATM   10  C   UNL     1       2.485   0.693   4.062  1.00  0.00           C  
HETATM   11  C   UNL     1       5.653   0.331   2.779  1.00  0.00           C  
HETATM   12  C   UNL     1       6.403   4.545  -0.390  1.00  0.00           C  
HETATM   13  CA  UNL     1       6.598   3.055  -0.278  1.00  0.00           C  
HETATM   14  C   UNL     1       4.503   2.227   0.652  1.00  0.00           C  
HETATM   15  C   UNL     1       3.173   1.534   0.505  1.00  0.00           C  
HETATM   16  C   UNL     1       3.325   1.240   2.906  1.00  0.00           C  
HETATM   17  C   UNL     1       3.884  -0.902   1.739  1.00  0.00           C  
HETATM   18  C   UNL     1       6.562  -0.626   2.368  1.00  0.00           C  
HETATM   19  C   UNL     1       1.276   0.702   1.737  1.00  0.00           C  
HETATM   20  C   UNL     1       0.433   1.003   0.526  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.188   1.503  -1.673  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.822  -0.766  -2.481  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.180  -0.942  -2.293  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.830  -0.266  -1.271  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.769   0.290  -0.012  1.00  0.00           C  
HETATM   26  C   UNL     1     -11.242  -0.023   0.041  1.00  0.00           C  
HETATM   27  C   UNL     1     -11.696  -1.079   0.809  1.00  0.00           C  
HETATM   28  C   UNL     1     -13.048  -1.367   0.858  1.00  0.00           C  
HETATM   29  C   UNL     1     -13.946  -0.597   0.138  1.00  0.00           C  
HETATM   30  C   UNL     1     -13.490   0.460  -0.629  1.00  0.00           C  
HETATM   31  C   UNL     1     -12.139   0.749  -0.674  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.116   0.584  -0.440  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.757   0.752  -0.629  1.00  0.00           C  
HETATM   34  C   UNL     1       0.117   1.965  -1.644  1.00  0.00           C  
HETATM   35  C   UNL     1       0.926   1.716  -0.545  1.00  0.00           C  
HETATM   36  C   UNL     1       2.338   2.245  -0.560  1.00  0.00           C  
HETATM   37  C   UNL     1       7.544   2.580  -1.382  1.00  0.00           C  
HETATM   38  C   UNL     1       7.837   1.113  -1.197  1.00  0.00           C  
HETATM   39  C   UNL     1       7.028   0.168  -1.802  1.00  0.00           C  
HETATM   40  C   UNL     1       7.291  -1.176  -1.636  1.00  0.00           C  
HETATM   41  C   UNL     1       8.373  -1.581  -0.857  1.00  0.00           C  
HETATM   42  C   UNL     1       8.661  -3.025  -0.675  1.00  0.00           C  
HETATM   43  C   UNL     1       9.946  -3.533  -0.887  1.00  0.00           C  
HETATM   44  C   UNL     1      11.070  -2.621  -1.306  1.00  0.00           C  
HETATM   45  C   UNL     1      10.170  -4.883  -0.707  1.00  0.00           C  
HETATM   46  C   UNL     1      11.551  -5.444  -0.932  1.00  0.00           C  
HETATM   47  C   UNL     1       7.967  -5.248  -0.124  1.00  0.00           C  
HETATM   48  C   UNL     1       7.656  -3.914  -0.282  1.00  0.00           C  
HETATM   49  C   UNL     1       9.185  -0.624  -0.250  1.00  0.00           C  
HETATM   50  C   UNL     1       8.915   0.718  -0.427  1.00  0.00           C  
HETATM   51  N   UNL     1       5.305   2.381  -0.421  1.00  0.00           N  
HETATM   52  N   UNL     1       2.444   1.587   1.783  1.00  0.00           N  
HETATM   53  N   UNL     1       9.192  -5.689  -0.340  1.00  0.00           N  
HETATM   54  OXT UNL     1       7.457   5.370  -0.289  1.00  0.00           O  
HETATM   55  O   UNL     1       5.297   4.998  -0.570  1.00  0.00           O  
HETATM   56  O   UNL     1      -1.964   1.751  -2.762  1.00  0.00           O  
HETATM   57  O   UNL     1      -9.165  -0.437  -1.084  1.00  0.00           O  
HETATM   58  O   UNL     1      -2.970   0.329  -0.591  1.00  0.00           O  
HETATM   59  O   UNL     1       4.853   2.646   1.735  1.00  0.00           O  
HETATM   60 CL   UNL     1     -13.619  -2.693   1.822  1.00  0.00          Cl  
HETATM   61 CL   UNL     1     -15.643  -0.957   0.199  1.00  0.00          Cl  
HETATM   62  H   UNL     1      -3.234  -0.556  -2.445  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.864   1.574  -3.569  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.772   2.424  -2.006  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.262  -0.018   1.343  1.00  0.00           H  
HETATM   66  H   UNL     1       4.456  -2.716   0.762  1.00  0.00           H  
HETATM   67  H   UNL     1       6.841  -2.470   1.324  1.00  0.00           H  
HETATM   68  H   UNL     1       0.888   2.124   3.857  1.00  0.00           H  
HETATM   69  H   UNL     1       1.056   1.438   5.491  1.00  0.00           H  
HETATM   70  H   UNL     1       2.220   2.654   4.913  1.00  0.00           H  
HETATM   71  H   UNL     1       3.144   0.324   4.848  1.00  0.00           H  
HETATM   72  H   UNL     1       1.859  -0.123   3.701  1.00  0.00           H  
HETATM   73  H   UNL     1       5.989   1.187   3.345  1.00  0.00           H  
HETATM   74  HA  UNL     1       7.026   2.817   0.695  1.00  0.00           H  
HETATM   75  H   UNL     1       3.332   0.495   0.218  1.00  0.00           H  
HETATM   76  H   UNL     1       3.860   2.130   3.236  1.00  0.00           H  
HETATM   77  H   UNL     1       2.838  -1.010   1.493  1.00  0.00           H  
HETATM   78  H   UNL     1       7.608  -0.519   2.615  1.00  0.00           H  
HETATM   79  H   UNL     1       0.679   0.848   2.637  1.00  0.00           H  
HETATM   80  H   UNL     1       1.612  -0.334   1.693  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.316  -1.291  -3.277  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.734  -1.604  -2.942  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.630   1.359  -0.175  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.302   0.003   0.930  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.995  -1.680   1.370  1.00  0.00           H  
HETATM   86  H   UNL     1     -14.189   1.063  -1.188  1.00  0.00           H  
HETATM   87  H   UNL     1     -11.783   1.574  -1.273  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.620   1.111   0.357  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.201   1.414   0.018  1.00  0.00           H  
HETATM   90  H   UNL     1       0.507   2.522  -2.482  1.00  0.00           H  
HETATM   91  H   UNL     1       2.326   3.315  -0.355  1.00  0.00           H  
HETATM   92  H   UNL     1       2.779   2.071  -1.541  1.00  0.00           H  
HETATM   93  H   UNL     1       7.077   2.738  -2.354  1.00  0.00           H  
HETATM   94  H   UNL     1       8.475   3.145  -1.331  1.00  0.00           H  
HETATM   95  H   UNL     1       6.189   0.483  -2.405  1.00  0.00           H  
HETATM   96  H   UNL     1       6.659  -1.914  -2.108  1.00  0.00           H  
HETATM   97  H   UNL     1      11.571  -2.231  -0.420  1.00  0.00           H  
HETATM   98  H   UNL     1      11.784  -3.178  -1.912  1.00  0.00           H  
HETATM   99  H   UNL     1      10.667  -1.793  -1.890  1.00  0.00           H  
HETATM  100  H   UNL     1      12.113  -5.409   0.001  1.00  0.00           H  
HETATM  101  H   UNL     1      11.472  -6.477  -1.270  1.00  0.00           H  
HETATM  102  H   UNL     1      12.065  -4.851  -1.689  1.00  0.00           H  
HETATM  103  H   UNL     1       7.196  -5.943   0.175  1.00  0.00           H  
HETATM  104  H   UNL     1       6.652  -3.560  -0.103  1.00  0.00           H  
HETATM  105  H   UNL     1      10.025  -0.933   0.354  1.00  0.00           H  
HETATM  106  H   UNL     1       9.544   1.460   0.043  1.00  0.00           H  
HETATM  107  H   UNL     1       5.025   2.046  -1.287  1.00  0.00           H  
HETATM  108  HXT UNL     1       7.283   6.317  -0.368  1.00  0.00           H  
CONECT    1   33    2   22   22                                       
CONECT    2    3    1   58   62                                       
CONECT    3   56    2   63   64                                       
CONECT    4   21   58    5    5                                       
CONECT    5    4    4   20   65                                       
CONECT    6   16   11   11   17                                       
CONECT    7   17   17    8   66                                       
CONECT    8   18   18    7   67                                       
CONECT    9   10   68   69   70                                       
CONECT   10   16    9   71   72                                       
CONECT   11    6    6   18   73                                       
CONECT   12   13   55   55   54                                       
CONECT   13   37   51   12   74                                       
CONECT   14   51   15   59   59                                       
CONECT   15   36   14   52   75                                       
CONECT   16   52   10    6   76                                       
CONECT   17    6    7    7   77                                       
CONECT   18   11    8    8   78                                       
CONECT   19   20   52   79   80                                       
CONECT   20   35   35    5   19                                       
CONECT   21   56   34   34    4                                       
CONECT   22    1    1   23   81                                       
CONECT   23   24   24   22   82                                       
CONECT   24   32   57   23   23                                       
CONECT   25   57   26   83   84                                       
CONECT   26   31   25   27   27                                       
CONECT   27   26   26   28   85                                       
CONECT   28   29   29   27   60                                       
CONECT   29   30   61   28   28                                       
CONECT   30   31   31   29   86                                       
CONECT   31   30   30   26   87                                       
CONECT   32   33   33   24   88                                       
CONECT   33   32   32    1   89                                       
CONECT   34   21   21   35   90                                       
CONECT   35   34   36   20   20                                       
CONECT   36   35   15   91   92                                       
CONECT   37   38   13   93   94                                       
CONECT   38   50   37   39   39                                       
CONECT   39   38   38   40   95                                       
CONECT   40   41   41   39   96                                       
CONECT   41   49   42   40   40                                       
CONECT   42   48   41   43   43                                       
CONECT   43   42   42   45   44                                       
CONECT   44   43   97   98   99                                       
CONECT   45   53   53   43   46                                       
CONECT   46   45  100  101  102                                       
CONECT   47   48   48   53  103                                       
CONECT   48   47   47   42  104                                       
CONECT   49   50   50   41  105                                       
CONECT   50   49   49   38  106                                       
CONECT   51   13   14  107                                            
CONECT   52   15   19   16                                            
CONECT   53   47   45   45                                            
CONECT   54   12  108                                                 
CONECT   55   12   12                                                 
CONECT   56    3   21                                                 
CONECT   57   24   25                                                 
CONECT   58    2    4                                                 
CONECT   59   14   14                                                 
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62    2                                                      
CONECT   63    3                                                      
CONECT   64    3                                                      
CONECT   65    5                                                      
CONECT   66    7                                                      
CONECT   67    8                                                      
CONECT   68    9                                                      
CONECT   69    9                                                      
CONECT   70    9                                                      
CONECT   71   10                                                      
CONECT   72   10                                                      
CONECT   73   11                                                      
CONECT   74   13                                                      
CONECT   75   15                                                      
CONECT   76   16                                                      
CONECT   77   17                                                      
CONECT   78   18                                                      
CONECT   79   19                                                      
CONECT   80   19                                                      
CONECT   81   22                                                      
CONECT   82   23                                                      
CONECT   83   25                                                      
CONECT   84   25                                                      
CONECT   85   27                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
CONECT   88   32                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   36                                                      
CONECT   92   36                                                      
CONECT   93   37                                                      
CONECT   94   37                                                      
CONECT   95   39                                                      
CONECT   96   40                                                      
CONECT   97   44                                                      
CONECT   98   44                                                      
CONECT   99   44                                                      
CONECT  100   46                                                      
CONECT  101   46                                                      
CONECT  102   46                                                      
CONECT  103   47                                                      
CONECT  104   48                                                      
CONECT  105   49                                                      
CONECT  106   50                                                      
CONECT  107   51                                                      
CONECT  108   54                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
