COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       3.253  -1.837   0.119  1.00  0.00           P  
HETATM    2  O   UNL     1       3.228  -0.965   1.315  1.00  0.00           O  
HETATM    3  O   UNL     1       2.848  -3.337   0.540  1.00  0.00           O  
HETATM    4  O   UNL     1       2.204  -1.283  -0.970  1.00  0.00           O  
HETATM    5  P   UNL     1       0.898  -0.807  -0.157  1.00  0.00           P  
HETATM    6  O   UNL     1       1.312  -0.024   1.028  1.00  0.00           O  
HETATM    7  O   UNL     1       0.062  -2.098   0.318  1.00  0.00           O  
HETATM    8  O   UNL     1      -0.023   0.107  -1.110  1.00  0.00           O  
HETATM    9  P   UNL     1      -0.985   0.965  -0.144  1.00  0.00           P  
HETATM   10  O   UNL     1      -1.448   0.112   0.973  1.00  0.00           O  
HETATM   11  O   UNL     1      -0.171   2.224   0.443  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.256   1.490  -0.981  1.00  0.00           O  
HETATM   13  P   UNL     1      -3.351   1.979   0.093  1.00  0.00           P  
HETATM   14  O   UNL     1      -3.376   1.037   1.235  1.00  0.00           O  
HETATM   15  O   UNL     1      -2.966   3.451   0.619  1.00  0.00           O  
HETATM   16  O   UNL     1       4.733  -1.837  -0.514  1.00  0.00           O  
HETATM   17  C   UNL     1       5.629  -2.224   0.531  1.00  0.00           C  
HETATM   18  C   UNL     1       7.061  -2.245  -0.007  1.00  0.00           C  
HETATM   19  O   UNL     1       7.489  -0.908  -0.349  1.00  0.00           O  
HETATM   20  C   UNL     1       8.044  -2.705   1.092  1.00  0.00           C  
HETATM   21  O   UNL     1       8.349  -4.093   0.941  1.00  0.00           O  
HETATM   22  C   UNL     1       9.306  -1.843   0.853  1.00  0.00           C  
HETATM   23  O   UNL     1      10.429  -2.673   0.550  1.00  0.00           O  
HETATM   24  C   UNL     1       8.933  -0.962  -0.360  1.00  0.00           C  
HETATM   25  N   UNL     1       9.495   0.382  -0.206  1.00  0.00           N  
HETATM   26  C   UNL     1       8.864   1.462   0.335  1.00  0.00           C  
HETATM   27  N   UNL     1       9.656   2.495   0.314  1.00  0.00           N  
HETATM   28  C   UNL     1      10.842   2.143  -0.237  1.00  0.00           C  
HETATM   29  C   UNL     1      12.040   2.820  -0.520  1.00  0.00           C  
HETATM   30  N   UNL     1      12.187   4.161  -0.207  1.00  0.00           N  
HETATM   31  N   UNL     1      13.032   2.143  -1.090  1.00  0.00           N  
HETATM   32  C   UNL     1      12.901   0.864  -1.391  1.00  0.00           C  
HETATM   33  N   UNL     1      11.796   0.190  -1.150  1.00  0.00           N  
HETATM   34  C   UNL     1      10.751   0.784  -0.582  1.00  0.00           C  
HETATM   35  O   UNL     1      -4.803   2.019  -0.601  1.00  0.00           O  
HETATM   36  C   UNL     1      -5.742   2.343   0.426  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.150   2.398  -0.171  1.00  0.00           C  
HETATM   38  O   UNL     1      -7.552   1.086  -0.598  1.00  0.00           O  
HETATM   39  C   UNL     1      -8.156   2.862   0.902  1.00  0.00           C  
HETATM   40  O   UNL     1      -8.805   4.069   0.499  1.00  0.00           O  
HETATM   41  C   UNL     1      -9.178   1.698   0.987  1.00  0.00           C  
HETATM   42  O   UNL     1     -10.511   2.199   1.107  1.00  0.00           O  
HETATM   43  C   UNL     1      -8.975   0.987  -0.375  1.00  0.00           C  
HETATM   44  N   UNL     1      -9.388  -0.417  -0.295  1.00  0.00           N  
HETATM   45  C   UNL     1      -8.593  -1.473   0.038  1.00  0.00           C  
HETATM   46  N   UNL     1      -9.285  -2.575   0.011  1.00  0.00           N  
HETATM   47  C   UNL     1     -10.564  -2.297  -0.340  1.00  0.00           C  
HETATM   48  C   UNL     1     -11.727  -3.063  -0.527  1.00  0.00           C  
HETATM   49  N   UNL     1     -11.708  -4.434  -0.344  1.00  0.00           N  
HETATM   50  N   UNL     1     -12.845  -2.440  -0.883  1.00  0.00           N  
HETATM   51  C   UNL     1     -12.872  -1.131  -1.060  1.00  0.00           C  
HETATM   52  N   UNL     1     -11.808  -0.374  -0.897  1.00  0.00           N  
HETATM   53  C   UNL     1     -10.646  -0.907  -0.535  1.00  0.00           C  
HETATM   54  H   UNL     1       2.876  -3.870  -0.266  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.188  -2.580  -0.482  1.00  0.00           H  
HETATM   56  H   UNL     1       0.112   2.752  -0.316  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.961   4.031  -0.154  1.00  0.00           H  
HETATM   58  H   UNL     1       5.361  -3.217   0.890  1.00  0.00           H  
HETATM   59  H   UNL     1       5.559  -1.509   1.351  1.00  0.00           H  
HETATM   60  H   UNL     1       7.130  -2.899  -0.876  1.00  0.00           H  
HETATM   61  H   UNL     1       7.629  -2.512   2.081  1.00  0.00           H  
HETATM   62  H   UNL     1       8.964  -4.323   1.651  1.00  0.00           H  
HETATM   63  H   UNL     1       9.515  -1.223   1.724  1.00  0.00           H  
HETATM   64  H   UNL     1      10.574  -3.240   1.320  1.00  0.00           H  
HETATM   65  H   UNL     1       9.288  -1.418  -1.284  1.00  0.00           H  
HETATM   66  H   UNL     1       7.857   1.461   0.725  1.00  0.00           H  
HETATM   67  H   UNL     1      13.020   4.616  -0.403  1.00  0.00           H  
HETATM   68  H   UNL     1      11.455   4.645   0.205  1.00  0.00           H  
HETATM   69  H   UNL     1      13.732   0.352  -1.853  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.707   1.581   1.204  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.491   3.313   0.855  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.168   3.085  -1.017  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.654   3.000   1.860  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.461   4.273   1.179  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.939   1.029   1.814  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.571   2.627   1.972  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.523   1.503  -1.163  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.545  -1.406   0.287  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.885  -4.878  -0.083  1.00  0.00           H  
HETATM   80  H   UNL     1     -12.517  -4.952  -0.476  1.00  0.00           H  
HETATM   81  H   UNL     1     -13.803  -0.665  -1.350  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1   16                                                      
CONECT    2    1    1                                                 
CONECT    3    1   54                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6    6    7                                       
CONECT    5    8                                                      
CONECT    6    5    5                                                 
CONECT    7    5   55                                                 
CONECT    8    5    9                                                 
CONECT    9    8   10   10   11                                       
CONECT    9   12                                                      
CONECT   10    9    9                                                 
CONECT   11    9   56                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14   14   15                                       
CONECT   13   35                                                      
CONECT   14   13   13                                                 
CONECT   15   13   57                                                 
CONECT   16    1   17                                                 
CONECT   17   16   18   58   59                                       
CONECT   18   17   19   20   60                                       
CONECT   19   18   24                                                 
CONECT   20   18   21   22   61                                       
CONECT   21   20   62                                                 
CONECT   22   20   23   24   63                                       
CONECT   23   22   64                                                 
CONECT   24   19   22   25   65                                       
CONECT   25   24   26   34                                            
CONECT   26   25   27   27   66                                       
CONECT   27   26   26   28                                            
CONECT   28   27   29   34   34                                       
CONECT   29   28   30   31   31                                       
CONECT   30   29   67   68                                            
CONECT   31   29   29   32                                            
CONECT   32   31   33   33   69                                       
CONECT   33   32   32   34                                            
CONECT   34   25   28   28   33                                       
CONECT   35   13   36                                                 
CONECT   36   35   37   70   71                                       
CONECT   37   36   38   39   72                                       
CONECT   38   37   43                                                 
CONECT   39   37   40   41   73                                       
CONECT   40   39   74                                                 
CONECT   41   39   42   43   75                                       
CONECT   42   41   76                                                 
CONECT   43   38   41   44   77                                       
CONECT   44   43   45   53                                            
CONECT   45   44   46   46   78                                       
CONECT   46   45   45   47                                            
CONECT   47   46   48   53   53                                       
CONECT   48   47   49   50   50                                       
CONECT   49   48   79   80                                            
CONECT   50   48   48   51                                            
CONECT   51   50   52   52   81                                       
CONECT   52   51   51   53                                            
CONECT   53   44   47   47   52                                       
CONECT   54    3                                                      
CONECT   55    7                                                      
CONECT   56   11                                                      
CONECT   57   15                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   26                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   32                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
CONECT   75   41                                                      
CONECT   76   42                                                      
CONECT   77   43                                                      
CONECT   78   45                                                      
CONECT   79   49                                                      
CONECT   80   49                                                      
CONECT   81   51                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
