COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.299   4.678  -1.027  1.00  0.00           O  
HETATM    2  C   UNL     1      -8.059   3.741  -0.409  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.405   3.989  -0.152  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.183   3.037   0.477  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.497   2.520  -0.027  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.296   1.554   0.614  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.638   1.823   0.861  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.073   2.234  -0.289  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.314   3.130  -0.605  1.00  0.00           O  
HETATM   10  C   UNL     1      -5.581   0.849  -0.164  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.378  -0.121   0.475  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.701   0.262   1.016  1.00  0.00           C  
HETATM   13  O   UNL     1      -8.290  -0.477   1.780  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.335   0.484  -0.670  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.558   1.410  -1.284  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.882  -0.835  -0.547  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.668  -1.778   0.072  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.914  -1.422   0.587  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.243  -3.216   0.221  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.928  -4.012  -0.749  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.737  -3.358   0.013  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.041  -2.740   1.098  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.364  -4.840  -0.061  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.863  -5.555   1.196  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.363  -2.664  -1.302  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.523  -1.157  -1.113  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.516  -0.685  -0.217  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.547   0.003  -1.010  1.00  0.00           C  
HETATM   29  C   UNL     1       0.374   0.816  -0.096  1.00  0.00           C  
HETATM   30  C   UNL     1       1.060  -0.132   0.894  1.00  0.00           C  
HETATM   31  N   UNL     1       2.058   0.609   1.676  1.00  0.00           N  
HETATM   32  C   UNL     1       1.394   1.825   2.165  1.00  0.00           C  
HETATM   33  C   UNL     1       2.363  -0.210   2.856  1.00  0.00           C  
HETATM   34  O   UNL     1       0.222  -0.945  -1.748  1.00  0.00           O  
HETATM   35  C   UNL     1       0.723  -1.908  -0.825  1.00  0.00           C  
HETATM   36  C   UNL     1       1.392  -3.049  -1.594  1.00  0.00           C  
HETATM   37  C   UNL     1       1.747  -1.252   0.104  1.00  0.00           C  
HETATM   38  O   UNL     1       2.816  -0.703  -0.671  1.00  0.00           O  
HETATM   39  C   UNL     1       3.860  -1.679  -0.683  1.00  0.00           C  
HETATM   40  C   UNL     1       4.833  -1.368  -1.822  1.00  0.00           C  
HETATM   41  C   UNL     1       5.409   0.038  -1.616  1.00  0.00           C  
HETATM   42  O   UNL     1       6.428   0.285  -2.587  1.00  0.00           O  
HETATM   43  O   UNL     1       4.551  -1.650   0.564  1.00  0.00           O  
HETATM   44  C   UNL     1       4.942  -0.301   0.810  1.00  0.00           C  
HETATM   45  C   UNL     1       5.517  -0.189   2.223  1.00  0.00           C  
HETATM   46  C   UNL     1       6.005   0.123  -0.207  1.00  0.00           C  
HETATM   47  O   UNL     1       6.414   1.466   0.059  1.00  0.00           O  
HETATM   48  C   UNL     1       7.813   1.535  -0.227  1.00  0.00           C  
HETATM   49  O   UNL     1       8.529   0.741   0.715  1.00  0.00           O  
HETATM   50  C   UNL     1       9.871   0.611   0.242  1.00  0.00           C  
HETATM   51  C   UNL     1      10.672  -0.272   1.202  1.00  0.00           C  
HETATM   52  C   UNL     1       8.276   2.992  -0.144  1.00  0.00           C  
HETATM   53  C   UNL     1       9.747   3.066  -0.579  1.00  0.00           C  
HETATM   54  C   UNL     1      10.499   1.986   0.175  1.00  0.00           C  
HETATM   55  O   UNL     1      11.560   2.215   0.703  1.00  0.00           O  
HETATM   56  H   UNL     1      -7.366   4.511  -1.977  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.843   4.931  -0.446  1.00  0.00           H  
HETATM   58  H   UNL     1     -11.225   3.242   0.671  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.255   1.085   1.352  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.789   1.391  -2.223  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.522  -2.167   1.078  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.502  -3.566   1.220  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.874  -3.912  -0.575  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.313  -3.201   1.903  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.280  -4.938  -0.129  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.826  -5.287  -0.941  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.401  -5.107   2.076  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.946  -5.456   1.265  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.597  -6.610   1.143  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.329  -2.895  -1.558  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.023  -3.007  -2.099  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.408  -0.660  -2.077  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.055   0.674  -1.701  1.00  0.00           H  
HETATM   74  H   UNL     1       1.128   1.324  -0.697  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.215   1.552   0.452  1.00  0.00           H  
HETATM   76  H   UNL     1       0.315  -0.562   1.565  1.00  0.00           H  
HETATM   77  H   UNL     1       0.480   1.552   2.693  1.00  0.00           H  
HETATM   78  H   UNL     1       2.061   2.356   2.843  1.00  0.00           H  
HETATM   79  H   UNL     1       1.146   2.468   1.321  1.00  0.00           H  
HETATM   80  H   UNL     1       2.814  -1.150   2.540  1.00  0.00           H  
HETATM   81  H   UNL     1       3.058   0.328   3.502  1.00  0.00           H  
HETATM   82  H   UNL     1       1.443  -0.414   3.404  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.101  -2.305  -0.232  1.00  0.00           H  
HETATM   84  H   UNL     1       1.793  -3.777  -0.889  1.00  0.00           H  
HETATM   85  H   UNL     1       0.658  -3.532  -2.238  1.00  0.00           H  
HETATM   86  H   UNL     1       2.203  -2.649  -2.204  1.00  0.00           H  
HETATM   87  H   UNL     1       2.142  -1.996   0.795  1.00  0.00           H  
HETATM   88  H   UNL     1       3.429  -2.669  -0.835  1.00  0.00           H  
HETATM   89  H   UNL     1       5.643  -2.098  -1.819  1.00  0.00           H  
HETATM   90  H   UNL     1       4.306  -1.410  -2.775  1.00  0.00           H  
HETATM   91  H   UNL     1       4.615   0.777  -1.723  1.00  0.00           H  
HETATM   92  H   UNL     1       6.011   0.210  -3.456  1.00  0.00           H  
HETATM   93  H   UNL     1       4.074   0.351   0.720  1.00  0.00           H  
HETATM   94  H   UNL     1       5.708   0.858   2.456  1.00  0.00           H  
HETATM   95  H   UNL     1       4.804  -0.597   2.939  1.00  0.00           H  
HETATM   96  H   UNL     1       6.450  -0.750   2.282  1.00  0.00           H  
HETATM   97  H   UNL     1       6.865  -0.542  -0.134  1.00  0.00           H  
HETATM   98  H   UNL     1       7.995   1.155  -1.233  1.00  0.00           H  
HETATM   99  H   UNL     1       9.869   0.161  -0.751  1.00  0.00           H  
HETATM  100  H   UNL     1      10.670   0.177   2.196  1.00  0.00           H  
HETATM  101  H   UNL     1      10.219  -1.262   1.250  1.00  0.00           H  
HETATM  102  H   UNL     1      11.698  -0.359   0.845  1.00  0.00           H  
HETATM  103  H   UNL     1       7.667   3.608  -0.806  1.00  0.00           H  
HETATM  104  H   UNL     1       8.179   3.348   0.882  1.00  0.00           H  
HETATM  105  H   UNL     1       9.825   2.892  -1.652  1.00  0.00           H  
HETATM  106  H   UNL     1      10.158   4.045  -0.331  1.00  0.00           H  
CONECT    1    2   56                                                 
CONECT    2    1    3    3    5                                       
CONECT    3    2    2    4   57                                       
CONECT    4    3    7    7   58                                       
CONECT    5    2    6    6    8                                       
CONECT    6    5    5    7   12                                       
CONECT    7    4    4    6   59                                       
CONECT    8    5    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   11   14                                       
CONECT   11   10   10   12   18                                       
CONECT   12    6   11   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   10   15   16   16                                       
CONECT   15   14   60                                                 
CONECT   16   14   14   17   26                                       
CONECT   17   16   18   18   19                                       
CONECT   18   11   17   17   61                                       
CONECT   19   17   20   21   62                                       
CONECT   20   19   63                                                 
CONECT   21   19   22   23   25                                       
CONECT   22   21   64                                                 
CONECT   23   21   24   65   66                                       
CONECT   24   23   67   68   69                                       
CONECT   25   21   26   70   71                                       
CONECT   26   16   25   27   72                                       
CONECT   27   26   28                                                 
CONECT   28   27   29   34   73                                       
CONECT   29   28   30   74   75                                       
CONECT   30   29   31   37   76                                       
CONECT   31   30   32   33                                            
CONECT   32   31   77   78   79                                       
CONECT   33   31   80   81   82                                       
CONECT   34   28   35                                                 
CONECT   35   34   36   37   83                                       
CONECT   36   35   84   85   86                                       
CONECT   37   30   35   38   87                                       
CONECT   38   37   39                                                 
CONECT   39   38   40   43   88                                       
CONECT   40   39   41   89   90                                       
CONECT   41   40   42   46   91                                       
CONECT   42   41   92                                                 
CONECT   43   39   44                                                 
CONECT   44   43   45   46   93                                       
CONECT   45   44   94   95   96                                       
CONECT   46   41   44   47   97                                       
CONECT   47   46   48                                                 
CONECT   48   47   49   52   98                                       
CONECT   49   48   50                                                 
CONECT   50   49   51   54   99                                       
CONECT   51   50  100  101  102                                       
CONECT   52   48   53  103  104                                       
CONECT   53   52   54  105  106                                       
CONECT   54   50   53   55   55                                       
CONECT   55   54   54                                                 
CONECT   56    1                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    7                                                      
CONECT   60   15                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   39                                                      
CONECT   89   40                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
CONECT   95   45                                                      
CONECT   96   45                                                      
CONECT   97   46                                                      
CONECT   98   48                                                      
CONECT   99   50                                                      
CONECT  100   51                                                      
CONECT  101   51                                                      
CONECT  102   51                                                      
CONECT  103   52                                                      
CONECT  104   52                                                      
CONECT  105   53                                                      
CONECT  106   53                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
