COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       2.671   0.221  -3.314  1.00  0.00           P  
HETATM    2  O   UNL     1       1.828  -0.234  -2.020  1.00  0.00           O  
HETATM    3  O   UNL     1       4.145  -0.423  -3.248  1.00  0.00           O  
HETATM    4  O   UNL     1       2.779   1.697  -3.338  1.00  0.00           O  
HETATM    5  O   UNL     1       0.457   0.421   0.374  1.00  0.00           O  
HETATM    6  O   UNL     1      -0.377  -1.358  -0.655  1.00  0.00           O  
HETATM    7  O   UNL     1       1.834  -0.032   2.826  1.00  0.00           O  
HETATM    8  O   UNL     1       3.358   0.939   4.114  1.00  0.00           O  
HETATM    9  C   UNL     1       2.539   0.241  -0.875  1.00  0.00           C  
HETATM   10  C   UNL     1       1.787  -0.160   0.394  1.00  0.00           C  
HETATM   11  C   UNL     1       2.548   0.348   1.620  1.00  0.00           C  
HETATM   12  C   UNL     1       1.825  -0.351  -4.823  1.00  0.00           C  
HETATM   13  C   UNL     1       2.626   0.081  -6.053  1.00  0.00           C  
HETATM   14  C   UNL     1       1.916  -0.398  -7.320  1.00  0.00           C  
HETATM   15  C   UNL     1       2.717   0.034  -8.549  1.00  0.00           C  
HETATM   16  C   UNL     1       2.007  -0.446  -9.816  1.00  0.00           C  
HETATM   17  C   UNL     1       2.808  -0.013 -11.045  1.00  0.00           C  
HETATM   18  C   UNL     1       2.097  -0.493 -12.312  1.00  0.00           C  
HETATM   19  C   UNL     1       2.899  -0.060 -13.542  1.00  0.00           C  
HETATM   20  C   UNL     1       2.321   0.310   4.033  1.00  0.00           C  
HETATM   21  N   UNL     1       1.659  -0.043   5.152  1.00  0.00           N  
HETATM   22  C   UNL     1       2.188   0.329   6.466  1.00  0.00           C  
HETATM   23  C   UNL     1       1.253  -0.189   7.560  1.00  0.00           C  
HETATM   24  C   UNL     1       1.806   0.200   8.932  1.00  0.00           C  
HETATM   25  C   UNL     1       0.871  -0.319  10.025  1.00  0.00           C  
HETATM   26  C   UNL     1       1.424   0.070  11.398  1.00  0.00           C  
HETATM   27  C   UNL     1       0.488  -0.449  12.491  1.00  0.00           C  
HETATM   28  C   UNL     1       1.042  -0.059  13.863  1.00  0.00           C  
HETATM   29  C   UNL     1       0.106  -0.578  14.957  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.566  -0.258  -0.176  1.00  0.00           C  
HETATM   31  N   UNL     1      -1.801   0.282  -0.194  1.00  0.00           N  
HETATM   32  C   UNL     1      -2.915  -0.456  -0.794  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.195   0.373  -0.685  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.358  -0.398  -1.311  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.639   0.432  -1.202  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.802  -0.339  -1.828  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.082   0.491  -1.719  1.00  0.00           C  
HETATM   38  C   UNL     1     -10.246  -0.280  -2.345  1.00  0.00           C  
HETATM   39  C   UNL     1     -11.526   0.549  -2.236  1.00  0.00           C  
HETATM   40  H   UNL     1       4.031  -1.383  -3.234  1.00  0.00           H  
HETATM   41  H   UNL     1       2.618   1.327  -0.922  1.00  0.00           H  
HETATM   42  H   UNL     1       3.537  -0.196  -0.860  1.00  0.00           H  
HETATM   43  H   UNL     1       1.708  -1.246   0.442  1.00  0.00           H  
HETATM   44  H   UNL     1       2.627   1.434   1.573  1.00  0.00           H  
HETATM   45  H   UNL     1       3.546  -0.088   1.635  1.00  0.00           H  
HETATM   46  H   UNL     1       1.746  -1.438  -4.805  1.00  0.00           H  
HETATM   47  H   UNL     1       0.827   0.084  -4.868  1.00  0.00           H  
HETATM   48  H   UNL     1       2.705   1.168  -6.070  1.00  0.00           H  
HETATM   49  H   UNL     1       3.624  -0.354  -6.008  1.00  0.00           H  
HETATM   50  H   UNL     1       1.837  -1.485  -7.302  1.00  0.00           H  
HETATM   51  H   UNL     1       0.918   0.037  -7.364  1.00  0.00           H  
HETATM   52  H   UNL     1       2.796   1.121  -8.567  1.00  0.00           H  
HETATM   53  H   UNL     1       3.715  -0.401  -8.504  1.00  0.00           H  
HETATM   54  H   UNL     1       1.928  -1.533  -9.798  1.00  0.00           H  
HETATM   55  H   UNL     1       1.009  -0.010  -9.860  1.00  0.00           H  
HETATM   56  H   UNL     1       2.887   1.073 -11.063  1.00  0.00           H  
HETATM   57  H   UNL     1       3.806  -0.449 -11.001  1.00  0.00           H  
HETATM   58  H   UNL     1       2.018  -1.580 -12.295  1.00  0.00           H  
HETATM   59  H   UNL     1       1.099  -0.057 -12.357  1.00  0.00           H  
HETATM   60  H   UNL     1       2.392  -0.402 -14.444  1.00  0.00           H  
HETATM   61  H   UNL     1       2.977   1.026 -13.559  1.00  0.00           H  
HETATM   62  H   UNL     1       3.897  -0.496 -13.497  1.00  0.00           H  
HETATM   63  H   UNL     1       0.831  -0.545   5.088  1.00  0.00           H  
HETATM   64  H   UNL     1       2.259   1.415   6.534  1.00  0.00           H  
HETATM   65  H   UNL     1       3.178  -0.107   6.597  1.00  0.00           H  
HETATM   66  H   UNL     1       1.182  -1.275   7.492  1.00  0.00           H  
HETATM   67  H   UNL     1       0.263   0.247   7.429  1.00  0.00           H  
HETATM   68  H   UNL     1       1.877   1.285   9.000  1.00  0.00           H  
HETATM   69  H   UNL     1       2.796  -0.237   9.062  1.00  0.00           H  
HETATM   70  H   UNL     1       0.800  -1.405   9.957  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.118   0.118   9.895  1.00  0.00           H  
HETATM   72  H   UNL     1       1.495   1.156  11.466  1.00  0.00           H  
HETATM   73  H   UNL     1       2.414  -0.367  11.528  1.00  0.00           H  
HETATM   74  H   UNL     1       0.418  -1.534  12.423  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.500  -0.011  12.361  1.00  0.00           H  
HETATM   76  H   UNL     1       1.112   1.026  13.931  1.00  0.00           H  
HETATM   77  H   UNL     1       2.031  -0.496  13.994  1.00  0.00           H  
HETATM   78  H   UNL     1       0.500  -0.301  15.934  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.883  -0.141  14.826  1.00  0.00           H  
HETATM   80  H   UNL     1       0.036  -1.664  14.889  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.952   1.160   0.188  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.697  -0.653  -1.843  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.049  -1.401  -0.267  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.412   0.570   0.364  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.061   1.318  -1.211  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.141  -0.594  -2.360  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.492  -1.343  -0.784  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.856   0.629  -0.152  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.504   1.377  -1.728  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.585  -0.536  -2.877  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.936  -1.284  -1.301  1.00  0.00           H  
HETATM   92  H   UNL     1      -9.300   0.688  -0.669  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.948   1.436  -2.246  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.028  -0.477  -3.394  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.380  -1.225  -1.818  1.00  0.00           H  
HETATM   96  H   UNL     1     -12.355   0.000  -2.682  1.00  0.00           H  
HETATM   97  H   UNL     1     -11.743   0.746  -1.186  1.00  0.00           H  
HETATM   98  H   UNL     1     -11.392   1.494  -2.763  1.00  0.00           H  
CONECT    1    2    3    4    4                                       
CONECT    1   12                                                      
CONECT    2    1    9                                                 
CONECT    3    1   40                                                 
CONECT    4    1    1                                                 
CONECT    5   10   30                                                 
CONECT    6   30   30                                                 
CONECT    7   11   20                                                 
CONECT    8   20   20                                                 
CONECT    9    2   10   41   42                                       
CONECT   10    5    9   11   43                                       
CONECT   11    7   10   44   45                                       
CONECT   12    1   13   46   47                                       
CONECT   13   12   14   48   49                                       
CONECT   14   13   15   50   51                                       
CONECT   15   14   16   52   53                                       
CONECT   16   15   17   54   55                                       
CONECT   17   16   18   56   57                                       
CONECT   18   17   19   58   59                                       
CONECT   19   18   60   61   62                                       
CONECT   20    7    8    8   21                                       
CONECT   21   20   22   63                                            
CONECT   22   21   23   64   65                                       
CONECT   23   22   24   66   67                                       
CONECT   24   23   25   68   69                                       
CONECT   25   24   26   70   71                                       
CONECT   26   25   27   72   73                                       
CONECT   27   26   28   74   75                                       
CONECT   28   27   29   76   77                                       
CONECT   29   28   78   79   80                                       
CONECT   30    5    6    6   31                                       
CONECT   31   30   32   81                                            
CONECT   32   31   33   82   83                                       
CONECT   33   32   34   84   85                                       
CONECT   34   33   35   86   87                                       
CONECT   35   34   36   88   89                                       
CONECT   36   35   37   90   91                                       
CONECT   37   36   38   92   93                                       
CONECT   38   37   39   94   95                                       
CONECT   39   38   96   97   98                                       
CONECT   40    3                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   35                                                      
CONECT   90   36                                                      
CONECT   91   36                                                      
CONECT   92   37                                                      
CONECT   93   37                                                      
CONECT   94   38                                                      
CONECT   95   38                                                      
CONECT   96   39                                                      
CONECT   97   39                                                      
CONECT   98   39                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
