COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -5.133  -1.132   0.883  1.00  0.00           P  
HETATM    2  O   UNL     1      -6.076  -2.337   1.386  1.00  0.00           O  
HETATM    3  O   UNL     1      -4.718  -0.313   2.043  1.00  0.00           O  
HETATM    4  P   UNL     1      -6.889   0.758   0.714  1.00  0.00           P  
HETATM    5  O   UNL     1      -6.017   1.992   1.272  1.00  0.00           O  
HETATM    6  O   UNL     1      -7.457   0.002   1.853  1.00  0.00           O  
HETATM    7  O   UNL     1      -5.947  -0.213  -0.159  1.00  0.00           O  
HETATM    8  O   UNL     1      -8.083   1.319  -0.208  1.00  0.00           O  
HETATM    9  C   UNL     1      -8.945   2.074   0.647  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.108   2.638  -0.172  1.00  0.00           C  
HETATM   11  O   UNL     1     -10.944   1.565  -0.637  1.00  0.00           O  
HETATM   12  C   UNL     1     -12.300   2.061  -0.648  1.00  0.00           C  
HETATM   13  N   UNL     1     -13.255   0.951  -0.612  1.00  0.00           N  
HETATM   14  C   UNL     1     -14.556   0.986  -1.046  1.00  0.00           C  
HETATM   15  N   UNL     1     -15.336   1.908  -1.601  1.00  0.00           N  
HETATM   16  C   UNL     1     -16.581   1.628  -1.923  1.00  0.00           C  
HETATM   17  N   UNL     1     -17.115   0.437  -1.723  1.00  0.00           N  
HETATM   18  C   UNL     1     -16.410  -0.550  -1.178  1.00  0.00           C  
HETATM   19  N   UNL     1     -16.978  -1.795  -0.972  1.00  0.00           N  
HETATM   20  C   UNL     1     -15.076  -0.299  -0.817  1.00  0.00           C  
HETATM   21  N   UNL     1     -14.086  -1.036  -0.258  1.00  0.00           N  
HETATM   22  C   UNL     1     -13.017  -0.304  -0.137  1.00  0.00           C  
HETATM   23  C   UNL     1     -12.387   2.902   0.651  1.00  0.00           C  
HETATM   24  O   UNL     1     -13.402   3.902   0.544  1.00  0.00           O  
HETATM   25  C   UNL     1     -10.978   3.550   0.714  1.00  0.00           C  
HETATM   26  O   UNL     1     -11.015   4.879   0.191  1.00  0.00           O  
HETATM   27  N   UNL     1       1.434  -1.626   0.081  1.00  0.00           N  
HETATM   28  C   UNL     1       1.357  -0.847  -1.163  1.00  0.00           C  
HETATM   29  C   UNL     1       2.355   0.311  -1.079  1.00  0.00           C  
HETATM   30  C   UNL     1       3.704  -0.222  -0.677  1.00  0.00           C  
HETATM   31  C   UNL     1       3.852  -1.413  -0.177  1.00  0.00           C  
HETATM   32  C   UNL     1       2.706  -2.359   0.034  1.00  0.00           C  
HETATM   33  C   UNL     1       5.238  -1.867   0.202  1.00  0.00           C  
HETATM   34  O   UNL     1       5.274  -2.171   1.598  1.00  0.00           O  
HETATM   35  O   UNL     1      -3.829  -1.738   0.159  1.00  0.00           O  
HETATM   36  C   UNL     1      -3.091  -2.442   1.159  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.832  -3.046   0.534  1.00  0.00           C  
HETATM   38  O   UNL     1      -0.928  -2.000   0.114  1.00  0.00           O  
HETATM   39  C   UNL     1       0.366  -2.633   0.015  1.00  0.00           C  
HETATM   40  C   UNL     1       0.441  -3.577   1.236  1.00  0.00           C  
HETATM   41  O   UNL     1       1.110  -4.793   0.896  1.00  0.00           O  
HETATM   42  C   UNL     1      -1.040  -3.853   1.586  1.00  0.00           C  
HETATM   43  O   UNL     1      -1.331  -5.247   1.471  1.00  0.00           O  
HETATM   44  P   UNL     1       7.573  -1.543  -0.434  1.00  0.00           P  
HETATM   45  O   UNL     1       8.124  -2.312   0.868  1.00  0.00           O  
HETATM   46  O   UNL     1       6.175  -0.826  -0.083  1.00  0.00           O  
HETATM   47  O   UNL     1       7.368  -2.515  -1.531  1.00  0.00           O  
HETATM   48  O   UNL     1       8.644  -0.432  -0.895  1.00  0.00           O  
HETATM   49  C   UNL     1       9.819  -1.136  -1.304  1.00  0.00           C  
HETATM   50  C   UNL     1      10.882  -0.133  -1.756  1.00  0.00           C  
HETATM   51  O   UNL     1      11.332   0.663  -0.638  1.00  0.00           O  
HETATM   52  C   UNL     1      12.616   1.189  -1.036  1.00  0.00           C  
HETATM   53  N   UNL     1      13.390   1.591   0.141  1.00  0.00           N  
HETATM   54  C   UNL     1      14.427   2.489   0.162  1.00  0.00           C  
HETATM   55  N   UNL     1      15.042   3.234  -0.750  1.00  0.00           N  
HETATM   56  C   UNL     1      16.039   4.024  -0.410  1.00  0.00           C  
HETATM   57  N   UNL     1      16.476   4.118   0.832  1.00  0.00           N  
HETATM   58  C   UNL     1      15.924   3.411   1.812  1.00  0.00           C  
HETATM   59  N   UNL     1      16.389   3.518   3.111  1.00  0.00           N  
HETATM   60  C   UNL     1      14.860   2.549   1.498  1.00  0.00           C  
HETATM   61  N   UNL     1      14.072   1.708   2.211  1.00  0.00           N  
HETATM   62  C   UNL     1      13.212   1.142   1.415  1.00  0.00           C  
HETATM   63  C   UNL     1      13.315   0.020  -1.766  1.00  0.00           C  
HETATM   64  O   UNL     1      14.073   0.497  -2.879  1.00  0.00           O  
HETATM   65  C   UNL     1      12.146  -0.872  -2.249  1.00  0.00           C  
HETATM   66  O   UNL     1      12.146  -0.969  -3.674  1.00  0.00           O  
HETATM   67  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   68  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.334   1.427   1.433  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.384   2.894   1.095  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.724   3.203  -1.021  1.00  0.00           H  
HETATM   72  H   UNL     1     -12.473   2.687  -1.523  1.00  0.00           H  
HETATM   73  H   UNL     1     -17.190   2.402  -2.369  1.00  0.00           H  
HETATM   74  H   UNL     1     -16.454  -2.507  -0.573  1.00  0.00           H  
HETATM   75  H   UNL     1     -17.901  -1.955  -1.225  1.00  0.00           H  
HETATM   76  H   UNL     1     -12.079  -0.641   0.279  1.00  0.00           H  
HETATM   77  H   UNL     1     -12.562   2.264   1.517  1.00  0.00           H  
HETATM   78  H   UNL     1     -13.405   4.388   1.380  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.606   3.554   1.739  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.621   5.383   0.752  1.00  0.00           H  
HETATM   81  H   UNL     1       0.348  -0.452  -1.285  1.00  0.00           H  
HETATM   82  H   UNL     1       1.608  -1.485  -2.011  1.00  0.00           H  
HETATM   83  H   UNL     1       2.013   1.033  -0.337  1.00  0.00           H  
HETATM   84  H   UNL     1       2.431   0.797  -2.052  1.00  0.00           H  
HETATM   85  H   UNL     1       4.574   0.404  -0.807  1.00  0.00           H  
HETATM   86  H   UNL     1       2.674  -3.081  -0.782  1.00  0.00           H  
HETATM   87  H   UNL     1       2.850  -2.888   0.975  1.00  0.00           H  
HETATM   88  H   UNL     1       5.498  -2.757  -0.371  1.00  0.00           H  
HETATM   89  H   UNL     1       5.039  -1.359   2.067  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.709  -3.239   1.573  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.807  -1.753   1.954  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.096  -3.681  -0.311  1.00  0.00           H  
HETATM   93  H   UNL     1       0.440  -3.203  -0.911  1.00  0.00           H  
HETATM   94  H   UNL     1       0.945  -3.085   2.067  1.00  0.00           H  
HETATM   95  H   UNL     1       1.071  -5.362   1.677  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.268  -3.498   2.591  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.811  -5.699   2.150  1.00  0.00           H  
HETATM   98  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   99  H   UNL     1       9.574  -1.803  -2.130  1.00  0.00           H  
HETATM  100  H   UNL     1      10.202  -1.719  -0.467  1.00  0.00           H  
HETATM  101  H   UNL     1      10.487   0.509  -2.544  1.00  0.00           H  
HETATM  102  H   UNL     1      12.487   2.034  -1.712  1.00  0.00           H  
HETATM  103  H   UNL     1      16.517   4.616  -1.176  1.00  0.00           H  
HETATM  104  H   UNL     1      17.127   4.113   3.315  1.00  0.00           H  
HETATM  105  H   UNL     1      15.974   2.999   3.819  1.00  0.00           H  
HETATM  106  H   UNL     1      12.466   0.423   1.720  1.00  0.00           H  
HETATM  107  H   UNL     1      13.955  -0.531  -1.076  1.00  0.00           H  
HETATM  108  H   UNL     1      14.433  -0.281  -3.326  1.00  0.00           H  
HETATM  109  H   UNL     1      12.209  -1.862  -1.799  1.00  0.00           H  
HETATM  110  H   UNL     1      12.955  -1.437  -3.923  1.00  0.00           H  
CONECT    1    2    2    3    7                                       
CONECT    1   35                                                      
CONECT    2    1    1                                                 
CONECT    3    1   67                                                 
CONECT    4    5    5    6    7                                       
CONECT    4    8                                                      
CONECT    5    4    4                                                 
CONECT    6    4   68                                                 
CONECT    7    1    4                                                 
CONECT    8    4    9                                                 
CONECT    9    8   10   69   70                                       
CONECT   10    9   11   25   71                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   23   72                                       
CONECT   13   12   14   22                                            
CONECT   14   13   15   15   20                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   17   73                                       
CONECT   17   16   16   18                                            
CONECT   18   17   19   20   20                                       
CONECT   19   18   74   75                                            
CONECT   20   14   18   18   21                                       
CONECT   21   20   22   22                                            
CONECT   22   13   21   21   76                                       
CONECT   23   12   24   25   77                                       
CONECT   24   23   78                                                 
CONECT   25   10   23   26   79                                       
CONECT   26   25   80                                                 
CONECT   27   28   32   39                                            
CONECT   28   27   29   81   82                                       
CONECT   29   28   30   83   84                                       
CONECT   30   29   31   31   85                                       
CONECT   31   30   30   32   33                                       
CONECT   32   27   31   86   87                                       
CONECT   33   31   34   46   88                                       
CONECT   34   33   89                                                 
CONECT   35    1   36                                                 
CONECT   36   35   37   90   91                                       
CONECT   37   36   38   42   92                                       
CONECT   38   37   39                                                 
CONECT   39   27   38   40   93                                       
CONECT   40   39   41   42   94                                       
CONECT   41   40   95                                                 
CONECT   42   37   40   43   96                                       
CONECT   43   42   97                                                 
CONECT   44   45   45   46   47                                       
CONECT   44   48                                                      
CONECT   45   44   44                                                 
CONECT   46   33   44                                                 
CONECT   47   44   98                                                 
CONECT   48   44   49                                                 
CONECT   49   48   50   99  100                                       
CONECT   50   49   51   65  101                                       
CONECT   51   50   52                                                 
CONECT   52   51   53   63  102                                       
CONECT   53   52   54   62                                            
CONECT   54   53   55   55   60                                       
CONECT   55   54   54   56                                            
CONECT   56   55   57   57  103                                       
CONECT   57   56   56   58                                            
CONECT   58   57   59   60   60                                       
CONECT   59   58  104  105                                            
CONECT   60   54   58   58   61                                       
CONECT   61   60   62   62                                            
CONECT   62   53   61   61  106                                       
CONECT   63   52   64   65  107                                       
CONECT   64   63  108                                                 
CONECT   65   50   63   66  109                                       
CONECT   66   65  110                                                 
CONECT   67    3                                                      
CONECT   68    6                                                      
CONECT   69    9                                                      
CONECT   70    9                                                      
CONECT   71   10                                                      
CONECT   72   12                                                      
CONECT   73   16                                                      
CONECT   74   19                                                      
CONECT   75   19                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   28                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   32                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   34                                                      
CONECT   90   36                                                      
CONECT   91   36                                                      
CONECT   92   37                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   42                                                      
CONECT   97   43                                                      
CONECT   98   47                                                      
CONECT   99   49                                                      
CONECT  100   49                                                      
CONECT  101   50                                                      
CONECT  102   52                                                      
CONECT  103   56                                                      
CONECT  104   59                                                      
CONECT  105   59                                                      
CONECT  106   62                                                      
CONECT  107   63                                                      
CONECT  108   64                                                      
CONECT  109   65                                                      
CONECT  110   66                                                      
MASTER        0    0    0    0    0    0    0    0  110    0  110    0
END
