COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0      11.024  -5.572  -1.740  1.00  0.00           C  
HETATM    2  C   UNK A   0      14.356  -1.102   0.855  1.00  0.00           C  
HETATM    3  C   UNK A   0      14.143  -2.203   0.084  1.00  0.00           C  
HETATM    4  C   UNK A   0      12.847  -2.739  -0.033  1.00  0.00           C  
HETATM    5  C   UNK A   0      11.773  -2.130   0.650  1.00  0.00           C  
HETATM    6  C   UNK A   0      12.014  -1.005   1.433  1.00  0.00           C  
HETATM    7  C   UNK A   0      13.296  -0.496   1.533  1.00  0.00           C  
HETATM    8  C   UNK A   0      10.243  -3.736  -0.211  1.00  0.00           C  
HETATM    9  C   UNK A   0       8.789  -5.321  -1.072  1.00  0.00           C  
HETATM   10  C   UNK A   0      11.342  -4.386  -0.930  1.00  0.00           C  
HETATM   11  C   UNK A   0      12.625  -3.882  -0.833  1.00  0.00           C  
HETATM   12  C   UNK A   0       9.397  -1.983   1.272  1.00  0.00           C  
HETATM   13  C   UNK A   0       8.768  -0.910   0.381  1.00  0.00           C  
HETATM   14  C   UNK A   0       7.623  -0.229   1.132  1.00  0.00           C  
HETATM   15  C   UNK A   0       6.995   0.844   0.242  1.00  0.00           C  
HETATM   16  C   UNK A   0       5.849   1.524   0.993  1.00  0.00           C  
HETATM   17  C   UNK A   0       2.536   6.410  -0.968  1.00  0.00           C  
HETATM   18  C   UNK A   1      -0.853   5.164  -3.945  1.00  0.00           C  
HETATM   19  C   UNK A   1      -1.049   4.480  -2.617  1.00  0.00           C  
HETATM   20  C   UNK A   1      -2.460   4.768  -2.099  1.00  0.00           C  
HETATM   21  C   UNK A   1      -2.702   3.974  -0.813  1.00  0.00           C  
HETATM   22  C   UNK A   1      -4.092   4.258  -0.303  1.00  0.00           C  
HETATM   23  C   UNK A   0       1.169   4.442  -1.609  1.00  0.00           C  
HETATM   24  C   UNK A   0       2.183   4.962  -0.622  1.00  0.00           C  
HETATM   25  C   UNK A   1      -5.861   5.194   2.160  1.00  0.00           C  
HETATM   26  C   UNK A   1      -5.879   3.941   1.322  1.00  0.00           C  
HETATM   27  C   UNK A   1      -6.359   2.764   2.175  1.00  0.00           C  
HETATM   28  C   UNK A   1      -6.498   1.520   1.296  1.00  0.00           C  
HETATM   29  C   UNK A   1      -6.970   0.361   2.135  1.00  0.00           C  
HETATM   30  C   UNK A   1      -6.439  -2.632   3.045  1.00  0.00           C  
HETATM   31  C   UNK A   1      -7.624  -1.972   2.386  1.00  0.00           C  
HETATM   32  C   UNK A   1      -8.343  -2.988   1.495  1.00  0.00           C  
HETATM   33  C   UNK A   1      -9.614  -2.356   0.925  1.00  0.00           C  
HETATM   34  C   UNK A   1     -10.322  -3.356   0.048  1.00  0.00           C  
HETATM   35  C   UNK A   1     -11.577  -3.944  -2.806  1.00  0.00           C  
HETATM   36  C   UNK A   1     -12.162  -3.991  -1.418  1.00  0.00           C  
HETATM   37  C   UNK A   1     -13.652  -3.649  -1.481  1.00  0.00           C  
HETATM   38  C   UNK A   1     -14.273  -3.817  -0.092  1.00  0.00           C  
HETATM   39  C   UNK A   1     -15.740  -3.481  -0.154  1.00  0.00           C  
HETATM   40  N   UNK A   0      10.494  -2.635   0.552  1.00  0.00           N  
HETATM   41  N   UNK A   0       9.024  -4.247  -0.326  1.00  0.00           N  
HETATM   42  N   UNK A   0       9.733  -5.977  -1.762  1.00  0.00           N  
HETATM   43  N   UNK A   1      -0.064   4.985  -1.658  1.00  0.00           N  
HETATM   44  N   UNK A   1      -4.529   3.665   0.826  1.00  0.00           N  
HETATM   45  N   UNK A   1      -7.164  -0.846   1.569  1.00  0.00           N  
HETATM   46  N   UNK A   1     -11.474  -3.018  -0.565  1.00  0.00           N  
HETATM   47  O   UNK A   0      13.526   0.601   2.298  1.00  0.00           O  
HETATM   48  O   UNK A   0       7.644  -5.735  -1.133  1.00  0.00           O  
HETATM   49  O   UNK A   0      11.884  -6.160  -2.369  1.00  0.00           O  
HETATM   50  O   UNK A   0       9.757   0.063   0.038  1.00  0.00           O  
HETATM   51  O   UNK A   0       6.634  -1.202   1.475  1.00  0.00           O  
HETATM   52  O   UNK A   0       7.983   1.817  -0.101  1.00  0.00           O  
HETATM   53  O   UNK A   0       5.188   2.445   0.123  1.00  0.00           O  
HETATM   54  O   UNK A   0       2.869   2.458   1.119  1.00  0.00           O  
HETATM   55  O   UNK A   0       4.397   4.373   1.725  1.00  0.00           O  
HETATM   56  O   UNK A   1      -1.648   4.857  -4.982  1.00  0.00           O  
HETATM   57  O   UNK A   1       0.021   5.988  -4.077  1.00  0.00           O  
HETATM   58  O   UNK A   0       1.462   3.536  -2.359  1.00  0.00           O  
HETATM   59  O   UNK A   1      -4.816   5.020  -0.907  1.00  0.00           O  
HETATM   60  O   UNK A   0       3.362   4.157  -0.682  1.00  0.00           O  
HETATM   61  O   UNK A   1      -4.826   5.794   2.325  1.00  0.00           O  
HETATM   62  O   UNK A   1      -6.994   5.642   2.722  1.00  0.00           O  
HETATM   63  O   UNK A   1      -7.176   0.516   3.321  1.00  0.00           O  
HETATM   64  O   UNK A   1      -6.622  -3.693   3.845  1.00  0.00           O  
HETATM   65  O   UNK A   1      -5.326  -2.205   2.852  1.00  0.00           O  
HETATM   66  O   UNK A   1      -9.856  -4.465  -0.106  1.00  0.00           O  
HETATM   67  O   UNK A   1     -12.056  -4.755  -3.763  1.00  0.00           O  
HETATM   68  O   UNK A   1     -10.678  -3.178  -3.057  1.00  0.00           O  
HETATM   69  O   UNK A   1     -16.494  -3.558   0.954  1.00  0.00           O  
HETATM   70  O   UNK A   1     -16.239  -3.141  -1.201  1.00  0.00           O  
HETATM   71  P   UNK A   0       3.930   3.339   0.583  1.00  0.00           P  
HETATM   72  H   UNK A   0      15.352  -0.693   0.942  1.00  0.00           H  
HETATM   73  H   UNK A   0      14.968  -2.665  -0.438  1.00  0.00           H  
HETATM   74  H   UNK A   0      11.200  -0.530   1.961  1.00  0.00           H  
HETATM   75  H   UNK A   0      13.443  -4.352  -1.359  1.00  0.00           H  
HETATM   76  H   UNK A   0       9.782  -1.521   2.181  1.00  0.00           H  
HETATM   77  H   UNK A   0       8.642  -2.726   1.533  1.00  0.00           H  
HETATM   78  H   UNK A   0       8.383  -1.372  -0.528  1.00  0.00           H  
HETATM   79  H   UNK A   0       8.008   0.233   2.041  1.00  0.00           H  
HETATM   80  H   UNK A   0       6.609   0.382  -0.667  1.00  0.00           H  
HETATM   81  H   UNK A   0       5.138   0.771   1.332  1.00  0.00           H  
HETATM   82  H   UNK A   0       6.247   2.061   1.854  1.00  0.00           H  
HETATM   83  H   UNK A   0       2.953   6.451  -1.974  1.00  0.00           H  
HETATM   84  H   UNK A   0       1.636   7.024  -0.922  1.00  0.00           H  
HETATM   85  H   UNK A   0       3.269   6.785  -0.254  1.00  0.00           H  
HETATM   86  H   UNK A   1      -0.919   3.405  -2.739  1.00  0.00           H  
HETATM   87  H   UNK A   1      -2.560   5.833  -1.892  1.00  0.00           H  
HETATM   88  H   UNK A   1      -3.191   4.473  -2.851  1.00  0.00           H  
HETATM   89  H   UNK A   1      -2.602   2.909  -1.020  1.00  0.00           H  
HETATM   90  H   UNK A   1      -1.971   4.269  -0.060  1.00  0.00           H  
HETATM   91  H   UNK A   0       1.765   4.920   0.384  1.00  0.00           H  
HETATM   92  H   UNK A   1      -6.556   4.078   0.479  1.00  0.00           H  
HETATM   93  H   UNK A   1      -5.636   2.571   2.967  1.00  0.00           H  
HETATM   94  H   UNK A   1      -7.326   3.007   2.616  1.00  0.00           H  
HETATM   95  H   UNK A   1      -7.221   1.714   0.503  1.00  0.00           H  
HETATM   96  H   UNK A   1      -5.531   1.278   0.854  1.00  0.00           H  
HETATM   97  H   UNK A   1      -8.310  -1.610   3.151  1.00  0.00           H  
HETATM   98  H   UNK A   1      -7.686  -3.284   0.678  1.00  0.00           H  
HETATM   99  H   UNK A   1      -8.606  -3.866   2.085  1.00  0.00           H  
HETATM  100  H   UNK A   1     -10.271  -2.060   1.743  1.00  0.00           H  
HETATM  101  H   UNK A   1      -9.350  -1.478   0.335  1.00  0.00           H  
HETATM  102  H   UNK A   1     -12.036  -4.991  -1.004  1.00  0.00           H  
HETATM  103  H   UNK A   1     -13.775  -2.618  -1.811  1.00  0.00           H  
HETATM  104  H   UNK A   1     -14.149  -4.318  -2.184  1.00  0.00           H  
HETATM  105  H   UNK A   1     -14.150  -4.849   0.238  1.00  0.00           H  
HETATM  106  H   UNK A   1     -13.776  -3.149   0.611  1.00  0.00           H  
HETATM  107  H   UNK A   0       9.486  -6.755  -2.287  1.00  0.00           H  
HETATM  108  H   UNK A   1      -0.298   5.710  -1.058  1.00  0.00           H  
HETATM  109  H   UNK A   1      -3.949   3.056   1.309  1.00  0.00           H  
HETATM  110  H   UNK A   1      -6.999  -0.970   0.622  1.00  0.00           H  
HETATM  111  H   UNK A   1     -11.847  -2.131  -0.442  1.00  0.00           H  
HETATM  112  H   UNK A   0      13.442   1.438   1.820  1.00  0.00           H  
HETATM  113  H   UNK A   0      10.145   0.515   0.800  1.00  0.00           H  
HETATM  114  H   UNK A   0       6.246  -1.655   0.713  1.00  0.00           H  
HETATM  115  H   UNK A   0       8.371   2.269   0.660  1.00  0.00           H  
HETATM  116  H   UNK A   0       5.093   4.983   1.443  1.00  0.00           H  
HETATM  117  H   UNK A   1      -1.484   5.321  -5.814  1.00  0.00           H  
HETATM  118  H   UNK A   1      -6.933   6.449   3.250  1.00  0.00           H  
HETATM  119  H   UNK A   1      -5.832  -4.082   4.246  1.00  0.00           H  
HETATM  120  H   UNK A   1     -11.649  -4.689  -4.638  1.00  0.00           H  
HETATM  121  H   UNK A   1     -17.430  -3.333   0.865  1.00  0.00           H  
CONECT    1   49   49   10   42                                       
CONECT    2    3    3    7   72                                       
CONECT    3    2    2    4   73                                       
CONECT    4    3   11    5    5                                       
CONECT    5    4    4    6   40                                       
CONECT    6    7    7    5   74                                       
CONECT    7    2   47    6    6                                       
CONECT    8   10   40   41   41                                       
CONECT    9   42   41   48   48                                       
CONECT   10   11   11    1    8                                       
CONECT   11    4   10   10   75                                       
CONECT   12   40   13   76   77                                       
CONECT   13   12   50   14   78                                       
CONECT   14   13   51   15   79                                       
CONECT   15   14   52   16   80                                       
CONECT   16   15   53   81   82                                       
CONECT   17   24   83   84   85                                       
CONECT   18   19   57   57   56                                       
CONECT   19   43   20   18   86                                       
CONECT   20   19   21   87   88                                       
CONECT   21   20   22   89   90                                       
CONECT   22   59   59   21   44                                       
CONECT   23   58   58   24   43                                       
CONECT   24   60   17   23   91                                       
CONECT   25   61   61   26   62                                       
CONECT   26   44   25   27   92                                       
CONECT   27   26   28   93   94                                       
CONECT   28   27   29   95   96                                       
CONECT   29   28   45   63   63                                       
CONECT   30   31   65   65   64                                       
CONECT   31   45   32   30   97                                       
CONECT   32   31   33   98   99                                       
CONECT   33   32   34  100  101                                       
CONECT   34   66   66   46   33                                       
CONECT   35   68   68   36   67                                       
CONECT   36   37   46   35  102                                       
CONECT   37   38   36  103  104                                       
CONECT   38   39   37  105  106                                       
CONECT   39   70   70   38   69                                       
CONECT   40    5    8   12                                            
CONECT   41    8    8    9                                            
CONECT   42    1    9  107                                            
CONECT   43   23   19  108                                            
CONECT   44   22   26  109                                            
CONECT   45   29   31  110                                            
CONECT   46   34   36  111                                            
CONECT   47    7  112                                                 
CONECT   48    9    9                                                 
CONECT   49    1    1                                                 
CONECT   50   13  113                                                 
CONECT   51   14  114                                                 
CONECT   52   15  115                                                 
CONECT   53   16   71                                                 
CONECT   54   71   71                                                 
CONECT   55   71  116                                                 
CONECT   56   18  117                                                 
CONECT   57   18   18                                                 
CONECT   58   23   23                                                 
CONECT   59   22   22                                                 
CONECT   60   71   24                                                 
CONECT   61   25   25                                                 
CONECT   62   25  118                                                 
CONECT   63   29   29                                                 
CONECT   64   30  119                                                 
CONECT   65   30   30                                                 
CONECT   66   34   34                                                 
CONECT   67   35  120                                                 
CONECT   68   35   35                                                 
CONECT   69   39  121                                                 
CONECT   70   39   39                                                 
CONECT   71   53   60   54   54                                       
CONECT   71   55                                                      
CONECT   72    2                                                      
CONECT   73    3                                                      
CONECT   74    6                                                      
CONECT   75   11                                                      
CONECT   76   12                                                      
CONECT   77   12                                                      
CONECT   78   13                                                      
CONECT   79   14                                                      
CONECT   80   15                                                      
CONECT   81   16                                                      
CONECT   82   16                                                      
CONECT   83   17                                                      
CONECT   84   17                                                      
CONECT   85   17                                                      
CONECT   86   19                                                      
CONECT   87   20                                                      
CONECT   88   20                                                      
CONECT   89   21                                                      
CONECT   90   21                                                      
CONECT   91   24                                                      
CONECT   92   26                                                      
CONECT   93   27                                                      
CONECT   94   27                                                      
CONECT   95   28                                                      
CONECT   96   28                                                      
CONECT   97   31                                                      
CONECT   98   32                                                      
CONECT   99   32                                                      
CONECT  100   33                                                      
CONECT  101   33                                                      
CONECT  102   36                                                      
CONECT  103   37                                                      
CONECT  104   37                                                      
CONECT  105   38                                                      
CONECT  106   38                                                      
CONECT  107   42                                                      
CONECT  108   43                                                      
CONECT  109   44                                                      
CONECT  110   45                                                      
CONECT  111   46                                                      
CONECT  112   47                                                      
CONECT  113   50                                                      
CONECT  114   51                                                      
CONECT  115   52                                                      
CONECT  116   55                                                      
CONECT  117   56                                                      
CONECT  118   62                                                      
CONECT  119   64                                                      
CONECT  120   67                                                      
CONECT  121   69                                                      
MASTER        0    0    0    0    0    0    0    0  121    0  121    0
END
