COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.337   2.669  12.498  1.00  0.00           C  
HETATM    2  O   UNL     1       0.329   3.497  13.406  1.00  0.00           O  
HETATM    3  O   UNL     1       0.871   2.902  11.259  1.00  0.00           O  
HETATM    4  C   UNL     1       1.440   4.200  11.056  1.00  0.00           C  
HETATM    5  C   UNL     1       1.975   4.287   9.657  1.00  0.00           C  
HETATM    6  C   UNL     1       3.290   3.918   9.399  1.00  0.00           C  
HETATM    7  C   UNL     1       1.151   4.737   8.632  1.00  0.00           C  
HETATM    8  C   UNL     1       3.788   3.998   8.098  1.00  0.00           C  
HETATM    9  C   UNL     1       1.648   4.818   7.331  1.00  0.00           C  
HETATM   10  C   UNL     1       2.966   4.448   7.064  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.192   1.393  12.603  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.832   0.842  13.792  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.086   0.400  11.543  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.469  -0.915  12.215  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.419  -0.482  13.329  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.057   0.662  10.407  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.107   1.251  10.634  1.00  0.00           O  
HETATM   18  N   UNL     1      -0.635   0.185   9.177  1.00  0.00           N  
HETATM   19  C   UNL     1       1.263   1.313   5.274  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.403   0.325   7.968  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.661   1.144   6.905  1.00  0.00           C  
HETATM   22  C   UNL     1       0.612   0.472   6.374  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.803  -1.061   7.471  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.409  -2.100   7.996  1.00  0.00           O  
HETATM   25  C   UNL     1       2.506   0.628   4.727  1.00  0.00           C  
HETATM   26  N   UNL     1       3.076   1.455   3.637  1.00  0.00           N1+
HETATM   27  N   UNL     1      -4.058  -3.040   3.218  1.00  0.00           N  
HETATM   28  O   UNL     1      -1.885  -1.583   3.518  1.00  0.00           O  
HETATM   29  O   UNL     1      -4.164  -0.412   3.838  1.00  0.00           O  
HETATM   30  C   UNL     1      -5.533  -3.815   1.562  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.652  -0.554   7.444  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.629   0.441   7.416  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.546   0.488   6.366  1.00  0.00           C  
HETATM   34  N   UNL     1      -2.677  -0.995   6.395  1.00  0.00           N  
HETATM   35  C   UNL     1      -3.247  -2.169   5.742  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.547  -2.565   6.452  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.603  -1.491   6.422  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.312  -2.959   1.788  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.133  -3.456   0.974  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.716  -4.829   2.237  1.00  0.00           O  
HETATM   41  C   UNL     1      -6.509  -1.455   5.373  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.486  -0.460   5.344  1.00  0.00           C  
HETATM   43  P   UNL     1      -3.433  -1.719   3.994  1.00  0.00           P  
HETATM   44  C   UNL     1      -8.546  -7.095  -1.449  1.00  0.00           C  
HETATM   45  O   UNL     1      -8.632  -5.872  -0.711  1.00  0.00           O  
HETATM   46  N   UNL     1      -6.388  -3.382   0.560  1.00  0.00           N  
HETATM   47  C   UNL     1      -6.210  -2.189  -0.263  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.687  -3.997   0.320  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.456  -2.969  -0.501  1.00  0.00           C  
HETATM   50  C   UNL     1      -7.358  -2.227  -1.259  1.00  0.00           C  
HETATM   51  C   UNL     1      -7.443  -5.257  -0.454  1.00  0.00           C  
HETATM   52  O   UNL     1      -6.334  -5.651  -0.791  1.00  0.00           O  
HETATM   53  H   UNL     1       2.237   4.359  11.791  1.00  0.00           H  
HETATM   54  H   UNL     1       0.671   4.961  11.225  1.00  0.00           H  
HETATM   55  H   UNL     1       3.937   3.566  10.198  1.00  0.00           H  
HETATM   56  H   UNL     1       0.122   5.027   8.830  1.00  0.00           H  
HETATM   57  H   UNL     1       4.814   3.711   7.890  1.00  0.00           H  
HETATM   58  H   UNL     1       1.009   5.168   6.526  1.00  0.00           H  
HETATM   59  H   UNL     1       3.353   4.511   6.051  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.586   1.530  14.183  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.056   0.695  14.551  1.00  0.00           H  
HETATM   62  H   UNL     1       0.925   0.387  11.125  1.00  0.00           H  
HETATM   63  H   UNL     1       0.422  -1.374  12.660  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.927  -1.645  11.541  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.424  -0.325  12.920  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.491  -1.216  14.137  1.00  0.00           H  
HETATM   67  H   UNL     1       0.265  -0.290   9.126  1.00  0.00           H  
HETATM   68  H   UNL     1       1.529   2.299   5.675  1.00  0.00           H  
HETATM   69  H   UNL     1       0.542   1.480   4.464  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.319   0.857   8.253  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.400   2.126   7.317  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.338   1.327   6.061  1.00  0.00           H  
HETATM   73  H   UNL     1       0.371  -0.521   5.976  1.00  0.00           H  
HETATM   74  H   UNL     1       1.331   0.327   7.187  1.00  0.00           H  
HETATM   75  H   UNL     1       2.279  -0.352   4.297  1.00  0.00           H  
HETATM   76  H   UNL     1       3.285   0.525   5.488  1.00  0.00           H  
HETATM   77  H   UNL     1       3.808   2.080   3.993  1.00  0.00           H  
HETATM   78  H   UNL     1       2.352   2.034   3.198  1.00  0.00           H  
HETATM   79  H   UNL     1       3.493   0.865   2.907  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.598  -3.929   3.412  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.696  -1.386   2.576  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.941  -0.583   8.266  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.676   1.179   8.211  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.307   1.262   6.344  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.991  -0.085   6.072  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.520  -2.987   5.797  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.339  -2.809   7.503  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.944  -3.488   6.011  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.551  -1.920   1.544  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.397  -4.341   0.383  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.787  -2.684   0.279  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.298  -3.732   1.627  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.470  -2.189   4.572  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.201  -0.424   4.527  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.218  -7.051  -2.309  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.819  -7.932  -0.802  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.519  -7.228  -1.798  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.227  -2.196  -0.744  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.278  -1.315   0.395  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.182  -4.257   1.260  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.970  -2.268   0.169  1.00  0.00           H  
HETATM  102  H   UNL     1      -9.198  -3.409  -1.174  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.067  -2.801  -2.147  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.664  -1.229  -1.587  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   53   54                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5    8   55                                       
CONECT    7    5    9    9   56                                       
CONECT    8    6   10   10   57                                       
CONECT    9    7    7   10   58                                       
CONECT   10    8    8    9   59                                       
CONECT   11    1   12   13                                            
CONECT   12   11   15   60   61                                       
CONECT   13   11   14   16   62                                       
CONECT   14   13   15   63   64                                       
CONECT   15   12   14   65   66                                       
CONECT   16   13   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   20   67                                            
CONECT   19   22   25   68   69                                       
CONECT   20   18   21   23   70                                       
CONECT   21   20   22   71   72                                       
CONECT   22   19   21   73   74                                       
CONECT   23   20   24   24   34                                       
CONECT   24   23   23                                                 
CONECT   25   19   26   75   76                                       
CONECT   26   25   77   78   79                                       
CONECT   27   38   43   80                                            
CONECT   28   43   81                                                 
CONECT   29   43   43                                                 
CONECT   30   38   40   40   46                                       
CONECT   31   32   32   37   82                                       
CONECT   32   31   31   33   83                                       
CONECT   33   32   42   42   84                                       
CONECT   34   23   35   85                                            
CONECT   35   34   36   43   86                                       
CONECT   36   35   37   87   88                                       
CONECT   37   31   36   41   41                                       
CONECT   38   27   30   39   89                                       
CONECT   39   38   90   91   92                                       
CONECT   40   30   30                                                 
CONECT   41   37   37   42   93                                       
CONECT   42   33   33   41   94                                       
CONECT   43   27   28   29   29                                       
CONECT   43   35                                                      
CONECT   44   45   95   96   97                                       
CONECT   45   44   51                                                 
CONECT   46   30   47   48                                            
CONECT   47   46   50   98   99                                       
CONECT   48   46   49   51  100                                       
CONECT   49   48   50  101  102                                       
CONECT   50   47   49  103  104                                       
CONECT   51   45   48   52   52                                       
CONECT   52   51   51                                                 
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   15                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   25                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   38                                                      
CONECT   90   39                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
CONECT   93   41                                                      
CONECT   94   42                                                      
CONECT   95   44                                                      
CONECT   96   44                                                      
CONECT   97   44                                                      
CONECT   98   47                                                      
CONECT   99   47                                                      
CONECT  100   48                                                      
CONECT  101   49                                                      
CONECT  102   49                                                      
CONECT  103   50                                                      
CONECT  104   50                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
