COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1      -7.364   1.215   0.047  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.620   4.400  -0.335  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.385   5.886   1.536  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.905   4.040   1.653  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.364   0.761  -0.506  1.00  0.00           C  
HETATM    6  C   UNL     1       1.352   2.073   0.527  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.339  -4.549  -0.176  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.849  -2.132  -0.192  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.617  -1.372  -0.685  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.636   0.051  -0.123  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.994   0.667  -0.085  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.198   2.459  -0.266  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.556   3.667   0.368  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.029   5.511   0.249  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.326   5.153   2.233  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.069  -0.008  -0.481  1.00  0.00           C  
HETATM   17  C   UNL     1       1.065   0.960  -0.483  1.00  0.00           C  
HETATM   18  C   UNL     1       0.155   3.024   0.592  1.00  0.00           C  
HETATM   19  C   UNL     1       2.591   3.439  -1.216  1.00  0.00           C  
HETATM   20  C   UNL     1       3.597   2.925   0.943  1.00  0.00           C  
HETATM   21  C   UNL     1       4.773   3.786   0.562  1.00  0.00           C  
HETATM   22  C   UNL     1       5.770   2.956  -0.250  1.00  0.00           C  
HETATM   23  C   UNL     1       6.872   3.851  -0.757  1.00  0.00           C  
HETATM   24  C   UNL     1       8.055   3.957  -0.052  1.00  0.00           C  
HETATM   25  C   UNL     1       9.069   4.780  -0.520  1.00  0.00           C  
HETATM   26  C   UNL     1       8.892   5.494  -1.696  1.00  0.00           C  
HETATM   27  C   UNL     1       7.707   5.384  -2.398  1.00  0.00           C  
HETATM   28  C   UNL     1       6.701   4.560  -1.932  1.00  0.00           C  
HETATM   29  C   UNL     1       2.207  -0.023  -0.485  1.00  0.00           C  
HETATM   30  C   UNL     1       3.236  -2.002   0.344  1.00  0.00           C  
HETATM   31  C   UNL     1       3.134  -3.148   0.996  1.00  0.00           C  
HETATM   32  C   UNL     1       2.099  -5.087   1.576  1.00  0.00           C  
HETATM   33  C   UNL     1       3.584  -5.313   1.974  1.00  0.00           C  
HETATM   34  C   UNL     1       4.267  -4.123   1.255  1.00  0.00           C  
HETATM   35  C   UNL     1       2.458  -5.134  -0.848  1.00  0.00           C  
HETATM   36  C   UNL     1       2.206  -5.652  -2.069  1.00  0.00           C  
HETATM   37  C   UNL     1       1.283  -6.719  -2.187  1.00  0.00           C  
HETATM   38  C   UNL     1       0.954  -6.666   0.125  1.00  0.00           C  
HETATM   39  N   UNL     1      -3.785   0.777  -0.671  1.00  0.00           N  
HETATM   40  N   UNL     1      -6.050   1.335  -0.589  1.00  0.00           N  
HETATM   41  N   UNL     1      -0.173   0.270  -0.109  1.00  0.00           N  
HETATM   42  N   UNL     1       2.544   2.816   0.109  1.00  0.00           N  
HETATM   43  N   UNL     1       5.429   4.286   1.778  1.00  0.00           N  
HETATM   44  N   UNL     1       2.135  -1.141   0.264  1.00  0.00           N  
HETATM   45  N   UNL     1       1.825  -5.649   0.251  1.00  0.00           N  
HETATM   46  N   UNL     1       0.676  -7.194  -1.081  1.00  0.00           N  
HETATM   47  O   UNL     1      -5.131  -0.035   0.898  1.00  0.00           O  
HETATM   48  O   UNL     1      -5.104   6.231  -0.439  1.00  0.00           O  
HETATM   49  OXT UNL     1      -9.296  -0.319  -0.036  1.00  0.00           O  
HETATM   50  O   UNL     1      -7.529  -0.707  -1.305  1.00  0.00           O  
HETATM   51  O   UNL     1      -1.411   1.773  -1.172  1.00  0.00           O  
HETATM   52  O   UNL     1       3.597   2.332   2.001  1.00  0.00           O  
HETATM   53  O   UNL     1      10.233   4.886   0.173  1.00  0.00           O  
HETATM   54  O   UNL     1       3.191   0.192  -1.162  1.00  0.00           O  
HETATM   55  O   UNL     1       1.992  -3.648   1.553  1.00  0.00           O  
HETATM   56  O   UNL     1       3.756  -5.228   3.390  1.00  0.00           O  
HETATM   57  O   UNL     1       5.255  -3.528   2.099  1.00  0.00           O  
HETATM   58  O   UNL     1       1.039  -7.202  -3.278  1.00  0.00           O  
HETATM   59  O   UNL     1       0.399  -7.106   1.114  1.00  0.00           O  
HETATM   60  S   UNL     1      -3.826  -3.819  -0.859  1.00  0.00           S  
HETATM   61  HA  UNL     1      -7.238   1.124   1.126  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.345   4.105  -1.337  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.926   6.751   1.993  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.640   3.468   2.199  1.00  0.00           H  
HETATM   65  H   UNL     1       1.523   1.636   1.511  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.293  -4.529   0.913  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.203  -3.977  -0.513  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.431  -5.581  -0.516  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.840  -2.172   0.897  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.751  -1.621  -0.529  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.715  -1.883  -0.348  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.626  -1.332  -1.774  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.717   0.011   0.964  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.249   2.600  -1.346  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.204   2.332   0.132  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.609   5.450   3.232  1.00  0.00           H  
HETATM   77  H   UNL     1       0.954   1.391  -1.477  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.015   3.461  -0.392  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.731   2.471   0.903  1.00  0.00           H  
HETATM   80  H   UNL     1       0.360   3.817   1.311  1.00  0.00           H  
HETATM   81  H   UNL     1       2.203   4.455  -1.153  1.00  0.00           H  
HETATM   82  H   UNL     1       3.622   3.465  -1.569  1.00  0.00           H  
HETATM   83  H   UNL     1       1.983   2.860  -1.912  1.00  0.00           H  
HETATM   84  H   UNL     1       4.429   4.628  -0.038  1.00  0.00           H  
HETATM   85  H   UNL     1       6.197   2.178   0.384  1.00  0.00           H  
HETATM   86  H   UNL     1       5.258   2.497  -1.094  1.00  0.00           H  
HETATM   87  H   UNL     1       8.190   3.400   0.864  1.00  0.00           H  
HETATM   88  H   UNL     1       9.680   6.136  -2.062  1.00  0.00           H  
HETATM   89  H   UNL     1       7.569   5.940  -3.314  1.00  0.00           H  
HETATM   90  H   UNL     1       5.777   4.472  -2.485  1.00  0.00           H  
HETATM   91  H   UNL     1       4.169  -1.730  -0.127  1.00  0.00           H  
HETATM   92  H   UNL     1       1.430  -5.516   2.322  1.00  0.00           H  
HETATM   93  H   UNL     1       3.952  -6.266   1.592  1.00  0.00           H  
HETATM   94  H   UNL     1       4.712  -4.449   0.315  1.00  0.00           H  
HETATM   95  H   UNL     1       3.160  -4.320  -0.738  1.00  0.00           H  
HETATM   96  H   UNL     1       2.702  -5.257  -2.943  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.675   1.337  -1.455  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.940   1.895  -1.374  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.135  -0.540   0.423  1.00  0.00           H  
HETATM  100  H   UNL     1       5.758   3.524   2.351  1.00  0.00           H  
HETATM  101  H   UNL     1       6.181   4.918   1.549  1.00  0.00           H  
HETATM  102  H   UNL     1       0.045  -7.928  -1.154  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.477   6.951  -0.964  1.00  0.00           H  
HETATM  104  HXT UNL     1      -9.708  -1.113  -0.404  1.00  0.00           H  
HETATM  105  H   UNL     1      10.906   4.242  -0.087  1.00  0.00           H  
HETATM  106  H   UNL     1       4.667  -5.363   3.684  1.00  0.00           H  
HETATM  107  H   UNL     1       5.673  -2.742   1.722  1.00  0.00           H  
HETATM  108  H   UNL     1       1.321  -1.349   0.748  1.00  0.00           H  
CONECT    1   16   12   40   61                                       
CONECT    2   13   13   14   62                                       
CONECT    3   14   14   15   63                                       
CONECT    4   13   15   15   64                                       
CONECT    5   10   51   51   41                                       
CONECT    6   17   18   42   65                                       
CONECT    7   60   66   67   68                                       
CONECT    8    9   60   69   70                                       
CONECT    9   10    8   71   72                                       
CONECT   10   39    9    5   73                                       
CONECT   11   40   47   47   39                                       
CONECT   12    1   13   74   75                                       
CONECT   13   12    2    2    4                                       
CONECT   14    2   48    3    3                                       
CONECT   15    4    4    3   76                                       
CONECT   16   50   50   49    1                                       
CONECT   17   41   29    6   77                                       
CONECT   18    6   78   79   80                                       
CONECT   19   42   81   82   83                                       
CONECT   20   52   52   42   21                                       
CONECT   21   20   22   43   84                                       
CONECT   22   21   23   85   86                                       
CONECT   23   22   24   24   28                                       
CONECT   24   23   23   25   87                                       
CONECT   25   24   53   26   26                                       
CONECT   26   25   25   27   88                                       
CONECT   27   28   28   26   89                                       
CONECT   28   23   27   27   90                                       
CONECT   29   54   54   17   44                                       
CONECT   30   44   31   31   91                                       
CONECT   31   30   30   34   55                                       
CONECT   32   55   33   45   92                                       
CONECT   33   56   34   32   93                                       
CONECT   34   57   31   33   94                                       
CONECT   35   45   36   36   95                                       
CONECT   36   35   35   37   96                                       
CONECT   37   46   36   58   58                                       
CONECT   38   59   59   45   46                                       
CONECT   39   11   10   97                                            
CONECT   40    1   11   98                                            
CONECT   41    5   17   99                                            
CONECT   42    6   20   19                                            
CONECT   43   21  100  101                                            
CONECT   44   29   30  108                                            
CONECT   45   32   38   35                                            
CONECT   46   38   37  102                                            
CONECT   47   11   11                                                 
CONECT   48   14  103                                                 
CONECT   49   16  104                                                 
CONECT   50   16   16                                                 
CONECT   51    5    5                                                 
CONECT   52   20   20                                                 
CONECT   53   25  105                                                 
CONECT   54   29   29                                                 
CONECT   55   31   32                                                 
CONECT   56   33  106                                                 
CONECT   57   34  107                                                 
CONECT   58   37   37                                                 
CONECT   59   38   38                                                 
CONECT   60    8    7                                                 
CONECT   61    1                                                      
CONECT   62    2                                                      
CONECT   63    3                                                      
CONECT   64    4                                                      
CONECT   65    6                                                      
CONECT   66    7                                                      
CONECT   67    7                                                      
CONECT   68    7                                                      
CONECT   69    8                                                      
CONECT   70    8                                                      
CONECT   71    9                                                      
CONECT   72    9                                                      
CONECT   73   10                                                      
CONECT   74   12                                                      
CONECT   75   12                                                      
CONECT   76   15                                                      
CONECT   77   17                                                      
CONECT   78   18                                                      
CONECT   79   18                                                      
CONECT   80   18                                                      
CONECT   81   19                                                      
CONECT   82   19                                                      
CONECT   83   19                                                      
CONECT   84   21                                                      
CONECT   85   22                                                      
CONECT   86   22                                                      
CONECT   87   24                                                      
CONECT   88   26                                                      
CONECT   89   27                                                      
CONECT   90   28                                                      
CONECT   91   30                                                      
CONECT   92   32                                                      
CONECT   93   33                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   36                                                      
CONECT   97   39                                                      
CONECT   98   40                                                      
CONECT   99   41                                                      
CONECT  100   43                                                      
CONECT  101   43                                                      
CONECT  102   46                                                      
CONECT  103   48                                                      
CONECT  104   49                                                      
CONECT  105   53                                                      
CONECT  106   56                                                      
CONECT  107   57                                                      
CONECT  108   44                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
