COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -2.169  -2.787  -1.607  1.00  0.00           P  
HETATM    2  N   UNL     1       5.357   2.142  -1.786  1.00  0.00           N  
HETATM    3  C   UNL     1       5.315   3.486  -1.863  1.00  0.00           C  
HETATM    4  O   UNL     1       5.002   4.008  -2.915  1.00  0.00           O  
HETATM    5  N   UNL     1       5.608   4.268  -0.809  1.00  0.00           N  
HETATM    6  C   UNL     1       6.203   3.761   0.291  1.00  0.00           C  
HETATM    7  O   UNL     1       6.398   4.460   1.263  1.00  0.00           O  
HETATM    8  N   UNL     1       6.733   1.786   1.662  1.00  0.00           N  
HETATM    9  C   UNL     1       7.062  -0.216   2.907  1.00  0.00           C  
HETATM   10  C   UNL     1       7.095  -1.591   3.015  1.00  0.00           C  
HETATM   11  C   UNL     1       6.868  -2.380   1.892  1.00  0.00           C  
HETATM   12  C   UNL     1       6.553  -1.786   0.686  1.00  0.00           C  
HETATM   13  P   UNL     1      -4.830  -3.266  -0.391  1.00  0.00           P  
HETATM   14  C   UNL     1       5.203  -0.720  -1.383  1.00  0.00           C  
HETATM   15  C   UNL     1       5.609   1.493  -0.503  1.00  0.00           C  
HETATM   16  N   UNL     1       6.152   0.145  -0.669  1.00  0.00           N  
HETATM   17  N   UNL     1     -11.519   5.019   0.283  1.00  0.00           N  
HETATM   18  O   UNL     1      -5.408  -3.619  -1.707  1.00  0.00           O  
HETATM   19  C   UNL     1      -9.013   0.548   1.123  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.936  -4.241  -1.760  1.00  0.00           O  
HETATM   21  C   UNL     1       3.849  -0.689  -0.672  1.00  0.00           C  
HETATM   22  O   UNL     1       3.976  -1.286   0.620  1.00  0.00           O  
HETATM   23  C   UNL     1     -11.155   4.481   1.432  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.626  -4.604   0.481  1.00  0.00           O  
HETATM   25  C   UNL     1     -10.084  -0.458   1.599  1.00  0.00           C  
HETATM   26  O   UNL     1     -10.647  -0.039   2.844  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.506  -2.144  -3.044  1.00  0.00           O  
HETATM   28  C   UNL     1       2.822  -1.469  -1.496  1.00  0.00           C  
HETATM   29  O   UNL     1       2.695  -0.872  -2.788  1.00  0.00           O  
HETATM   30  N   UNL     1     -10.519   3.330   1.503  1.00  0.00           N  
HETATM   31  C   UNL     1      -9.305  -1.781   1.775  1.00  0.00           C  
HETATM   32  O   UNL     1      -9.363  -2.219   3.134  1.00  0.00           O  
HETATM   33  O   UNL     1      -3.407  -2.544  -0.607  1.00  0.00           O  
HETATM   34  C   UNL     1       1.468  -1.438  -0.784  1.00  0.00           C  
HETATM   35  O   UNL     1       1.595  -2.035   0.508  1.00  0.00           O  
HETATM   36  C   UNL     1     -10.215   2.655   0.400  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.856  -1.417   1.384  1.00  0.00           C  
HETATM   38  O   UNL     1      -7.983  -0.266   0.521  1.00  0.00           O  
HETATM   39  C   UNL     1       6.620   2.316   0.293  1.00  0.00           C  
HETATM   40  C   UNL     1       0.442  -2.218  -1.608  1.00  0.00           C  
HETATM   41  O   UNL     1      -0.848  -2.092  -1.005  1.00  0.00           O  
HETATM   42  C   UNL     1     -10.581   3.186  -0.849  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.200  -2.577   0.632  1.00  0.00           C  
HETATM   44  O   UNL     1      -5.827  -2.267   0.383  1.00  0.00           O  
HETATM   45  C   UNL     1       6.741   0.391   1.693  1.00  0.00           C  
HETATM   46  C   UNL     1     -11.258   4.418  -0.873  1.00  0.00           C  
HETATM   47  N   UNL     1     -11.643   4.990  -2.072  1.00  0.00           N  
HETATM   48  N   UNL     1     -10.157   2.313  -1.794  1.00  0.00           N  
HETATM   49  C   UNL     1       7.441  -2.234   4.333  1.00  0.00           C  
HETATM   50  C   UNL     1      -9.568   1.305  -1.219  1.00  0.00           C  
HETATM   51  C   UNL     1       6.905  -3.883   2.005  1.00  0.00           C  
HETATM   52  C   UNL     1       6.486  -0.400   0.581  1.00  0.00           C  
HETATM   53  N   UNL     1      -9.578   1.469   0.134  1.00  0.00           N  
HETATM   54  N   UNL     1       8.553   1.458   3.239  1.00  0.00           N  
HETATM   55  C   UNL     1       8.377  -1.446  -2.532  1.00  0.00           C  
HETATM   56  C   UNL     1       8.777  -1.403  -1.210  1.00  0.00           C  
HETATM   57  C   UNL     1       7.869  -0.312  -3.138  1.00  0.00           C  
HETATM   58  C   UNL     1       8.663  -0.228  -0.491  1.00  0.00           C  
HETATM   59  C   UNL     1       7.759   0.864  -2.421  1.00  0.00           C  
HETATM   60  C   UNL     1       8.979   2.165   0.905  1.00  0.00           C  
HETATM   61  C   UNL     1       8.029   2.187  -0.312  1.00  0.00           C  
HETATM   62  C   UNL     1       7.942   3.750   2.578  1.00  0.00           C  
HETATM   63  C   UNL     1       8.054   2.289   2.136  1.00  0.00           C  
HETATM   64  C   UNL     1       8.148   0.904  -1.095  1.00  0.00           C  
HETATM   65  H   UNL     1       5.216   1.606  -2.582  1.00  0.00           H  
HETATM   66  H   UNL     1       5.389   5.212  -0.841  1.00  0.00           H  
HETATM   67  H   UNL     1       7.285   0.395   3.769  1.00  0.00           H  
HETATM   68  H   UNL     1       6.357  -2.401  -0.181  1.00  0.00           H  
HETATM   69  H   UNL     1       5.085  -0.363  -2.406  1.00  0.00           H  
HETATM   70  H   UNL     1       5.583  -1.742  -1.398  1.00  0.00           H  
HETATM   71  H   UNL     1       4.674   1.433   0.054  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.611   1.103   1.971  1.00  0.00           H  
HETATM   73  H   UNL     1       3.519   0.344  -0.564  1.00  0.00           H  
HETATM   74  H   UNL     1       4.320  -2.190   0.604  1.00  0.00           H  
HETATM   75  H   UNL     1     -11.387   5.004   2.348  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.249  -4.448   1.358  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.864  -0.571   0.845  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.326  -0.635   3.189  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.671  -1.192  -3.020  1.00  0.00           H  
HETATM   80  H   UNL     1       3.153  -2.503  -1.604  1.00  0.00           H  
HETATM   81  H   UNL     1       2.405   0.050  -2.768  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.701  -2.548   1.110  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.258  -2.403   3.450  1.00  0.00           H  
HETATM   84  H   UNL     1       1.138  -0.405  -0.676  1.00  0.00           H  
HETATM   85  H   UNL     1       1.886  -2.957   0.488  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.276  -1.164   2.272  1.00  0.00           H  
HETATM   87  H   UNL     1       0.409  -1.819  -2.621  1.00  0.00           H  
HETATM   88  H   UNL     1       0.726  -3.270  -1.641  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.265  -3.483   1.234  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.715  -2.732  -0.316  1.00  0.00           H  
HETATM   91  H   UNL     1     -11.447   4.541  -2.909  1.00  0.00           H  
HETATM   92  H   UNL     1     -12.110   5.840  -2.076  1.00  0.00           H  
HETATM   93  H   UNL     1       6.530  -2.392   4.911  1.00  0.00           H  
HETATM   94  H   UNL     1       7.928  -3.192   4.153  1.00  0.00           H  
HETATM   95  H   UNL     1       8.115  -1.582   4.889  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.136   0.462  -1.738  1.00  0.00           H  
HETATM   97  H   UNL     1       5.908  -4.254   2.242  1.00  0.00           H  
HETATM   98  H   UNL     1       7.236  -4.310   1.059  1.00  0.00           H  
HETATM   99  H   UNL     1       7.597  -4.170   2.796  1.00  0.00           H  
HETATM  100  H   UNL     1       8.888   0.569   2.899  1.00  0.00           H  
HETATM  101  H   UNL     1       9.271   1.940   3.758  1.00  0.00           H  
HETATM  102  H   UNL     1       8.466  -2.365  -3.094  1.00  0.00           H  
HETATM  103  H   UNL     1       9.178  -2.288  -0.738  1.00  0.00           H  
HETATM  104  H   UNL     1       7.556  -0.346  -4.171  1.00  0.00           H  
HETATM  105  H   UNL     1       8.975  -0.195   0.542  1.00  0.00           H  
HETATM  106  H   UNL     1       7.361   1.750  -2.894  1.00  0.00           H  
HETATM  107  H   UNL     1       9.530   1.225   0.939  1.00  0.00           H  
HETATM  108  H   UNL     1       9.669   3.007   0.862  1.00  0.00           H  
HETATM  109  H   UNL     1       8.248   3.043  -0.950  1.00  0.00           H  
HETATM  110  H   UNL     1       8.695   3.958   3.337  1.00  0.00           H  
HETATM  111  H   UNL     1       8.101   4.402   1.719  1.00  0.00           H  
HETATM  112  H   UNL     1       6.950   3.929   2.992  1.00  0.00           H  
CONECT    1   33   41   20   20                                       
CONECT    1   27                                                      
CONECT    2   15    3   65                                            
CONECT    3    2    5    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   66                                            
CONECT    6    5    7    7   39                                       
CONECT    7    6    6                                                 
CONECT    8   63   45   39                                            
CONECT    9   10   10   45   67                                       
CONECT   10    9    9   49   11                                       
CONECT   11   10   51   12   12                                       
CONECT   12   11   11   52   68                                       
CONECT   13   18   18   24   33                                       
CONECT   13   44                                                      
CONECT   14   16   21   69   70                                       
CONECT   15    2   39   16   71                                       
CONECT   16   14   15   52                                            
CONECT   17   46   46   23                                            
CONECT   18   13   13                                                 
CONECT   19   25   53   38   72                                       
CONECT   20    1    1                                                 
CONECT   21   14   22   28   73                                       
CONECT   22   21   74                                                 
CONECT   23   17   30   30   75                                       
CONECT   24   13   76                                                 
CONECT   25   19   26   31   77                                       
CONECT   26   25   78                                                 
CONECT   27    1   79                                                 
CONECT   28   21   29   34   80                                       
CONECT   29   28   81                                                 
CONECT   30   23   23   36                                            
CONECT   31   25   32   37   82                                       
CONECT   32   31   83                                                 
CONECT   33    1   13                                                 
CONECT   34   28   35   40   84                                       
CONECT   35   34   85                                                 
CONECT   36   30   53   42   42                                       
CONECT   37   31   38   43   86                                       
CONECT   38   19   37                                                 
CONECT   39    6    8   15   61                                       
CONECT   40   34   41   87   88                                       
CONECT   41    1   40                                                 
CONECT   42   36   36   48   46                                       
CONECT   43   37   44   89   90                                       
CONECT   44   13   43                                                 
CONECT   45    8    9   52   52                                       
CONECT   46   17   17   42   47                                       
CONECT   47   46   91   92                                            
CONECT   48   42   50   50                                            
CONECT   49   10   93   94   95                                       
CONECT   50   48   48   53   96                                       
CONECT   51   11   97   98   99                                       
CONECT   52   12   16   45   45                                       
CONECT   53   19   36   50                                            
CONECT   54   63  100  101                                            
CONECT   55   57   57   56  102                                       
CONECT   56   55   58   58  103                                       
CONECT   57   55   55   59  104                                       
CONECT   58   56   56   64  105                                       
CONECT   59   57   64   64  106                                       
CONECT   60   63   61  107  108                                       
CONECT   61   39   60   64  109                                       
CONECT   62   63  110  111  112                                       
CONECT   63    8   54   60   62                                       
CONECT   64   58   59   59   61                                       
CONECT   65    2                                                      
CONECT   66    5                                                      
CONECT   67    9                                                      
CONECT   68   12                                                      
CONECT   69   14                                                      
CONECT   70   14                                                      
CONECT   71   15                                                      
CONECT   72   19                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   37                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
CONECT   89   43                                                      
CONECT   90   43                                                      
CONECT   91   47                                                      
CONECT   92   47                                                      
CONECT   93   49                                                      
CONECT   94   49                                                      
CONECT   95   49                                                      
CONECT   96   50                                                      
CONECT   97   51                                                      
CONECT   98   51                                                      
CONECT   99   51                                                      
CONECT  100   54                                                      
CONECT  101   54                                                      
CONECT  102   55                                                      
CONECT  103   56                                                      
CONECT  104   57                                                      
CONECT  105   58                                                      
CONECT  106   59                                                      
CONECT  107   60                                                      
CONECT  108   60                                                      
CONECT  109   61                                                      
CONECT  110   62                                                      
CONECT  111   62                                                      
CONECT  112   62                                                      
MASTER        0    0    0    0    0    0    0    0  112    0  112    0
END
