COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.321  -0.642   1.266  1.00  0.00           C  
HETATM    2  C   UNL     1       7.123  -0.134   0.092  1.00  0.00           C  
HETATM    3  C   UNL     1       6.407  -0.476  -1.048  1.00  0.00           C  
HETATM    4  C   UNL     1       6.887  -0.142  -2.295  1.00  0.00           C  
HETATM    5  C   UNL     1       8.087   0.535  -2.413  1.00  0.00           C  
HETATM    6  C   UNL     1       8.806   0.877  -1.276  1.00  0.00           C  
HETATM    7  C   UNL     1      11.121   0.887  -1.043  1.00  0.00           C  
HETATM    8  C   UNL     1      12.345   1.574  -1.015  1.00  0.00           C  
HETATM    9  C   UNL     1      13.507   0.899  -0.650  1.00  0.00           C  
HETATM   10  C   UNL     1      13.447  -0.453  -0.315  1.00  0.00           C  
HETATM   11  C   UNL     1      12.221  -1.127  -0.347  1.00  0.00           C  
HETATM   12  O   UNL     1      -6.418  -3.820  -0.831  1.00  0.00           O  
HETATM   13  P   UNL     1      -5.614  -2.955   0.263  1.00  0.00           P  
HETATM   14  O   UNL     1      -5.371  -3.783   1.466  1.00  0.00           O  
HETATM   15  O   UNL     1      -6.482  -1.661   0.669  1.00  0.00           O  
HETATM   16  C   UNL     1      -7.740  -1.748   1.342  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.292  -0.340   1.574  1.00  0.00           C  
HETATM   18  O   UNL     1      -8.615   0.272   0.314  1.00  0.00           O  
HETATM   19  C   UNL     1      -9.772   1.107   0.536  1.00  0.00           C  
HETATM   20  N   UNL     1     -10.473   1.362  -0.726  1.00  0.00           N  
HETATM   21  C   UNL     1     -10.427   0.586  -1.845  1.00  0.00           C  
HETATM   22  N   UNL     1     -11.168   1.109  -2.779  1.00  0.00           N  
HETATM   23  C   UNL     1     -11.734   2.250  -2.319  1.00  0.00           C  
HETATM   24  C   UNL     1     -12.603   3.211  -2.864  1.00  0.00           C  
HETATM   25  N   UNL     1     -13.069   3.090  -4.161  1.00  0.00           N  
HETATM   26  N   UNL     1     -12.967   4.239  -2.103  1.00  0.00           N  
HETATM   27  C   UNL     1     -12.528   4.362  -0.864  1.00  0.00           C  
HETATM   28  N   UNL     1     -11.713   3.487  -0.313  1.00  0.00           N  
HETATM   29  C   UNL     1     -11.299   2.424  -0.994  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.654   0.258   1.487  1.00  0.00           C  
HETATM   31  O   UNL     1     -11.526   1.091   2.253  1.00  0.00           O  
HETATM   32  C   UNL     1      -9.596  -0.417   2.393  1.00  0.00           C  
HETATM   33  O   UNL     1      -9.458   0.300   3.621  1.00  0.00           O  
HETATM   34  O   UNL     1      -4.205  -2.482  -0.356  1.00  0.00           O  
HETATM   35  P   UNL     1      -2.810  -3.227  -0.660  1.00  0.00           P  
HETATM   36  O   UNL     1      -2.931  -4.051  -2.038  1.00  0.00           O  
HETATM   37  O   UNL     1      -2.498  -4.159   0.447  1.00  0.00           O  
HETATM   38  O   UNL     1      -1.635  -2.135  -0.789  1.00  0.00           O  
HETATM   39  C   UNL     1      -0.260  -2.487  -0.953  1.00  0.00           C  
HETATM   40  C   UNL     1       0.585  -1.214  -1.042  1.00  0.00           C  
HETATM   41  O   UNL     1       0.554  -0.518   0.215  1.00  0.00           O  
HETATM   42  C   UNL     1       2.055  -1.580  -1.327  1.00  0.00           C  
HETATM   43  O   UNL     1       2.487  -0.994  -2.556  1.00  0.00           O  
HETATM   44  C   UNL     1       2.835  -0.974  -0.134  1.00  0.00           C  
HETATM   45  O   UNL     1       4.055  -0.375  -0.575  1.00  0.00           O  
HETATM   46  C   UNL     1       1.847   0.101   0.387  1.00  0.00           C  
HETATM   47  N   UNL     1       2.098   0.390   1.801  1.00  0.00           N1+
HETATM   48  C   UNL     1       2.706   1.511   2.127  1.00  0.00           C  
HETATM   49  C   UNL     1       1.702  -0.479   2.712  1.00  0.00           C  
HETATM   50  C   UNL     1       1.917  -0.248   4.059  1.00  0.00           C  
HETATM   51  C   UNL     1       2.558   0.913   4.454  1.00  0.00           C  
HETATM   52  C   UNL     1       2.961   1.817   3.464  1.00  0.00           C  
HETATM   53  C   UNL     1       3.645   3.076   3.830  1.00  0.00           C  
HETATM   54  O   UNL     1       3.990   3.854   2.962  1.00  0.00           O  
HETATM   55  N   UNL     1       3.885   3.361   5.125  1.00  0.00           N  
HETATM   56  B   UNL     1       5.129  -1.219  -0.552  1.00  0.00           B  
HETATM   57  O   UNL     1       5.397  -1.610   0.741  1.00  0.00           O  
HETATM   58  C   UNL     1       8.318   0.540  -0.020  1.00  0.00           C  
HETATM   59  C   UNL     1      11.072  -0.459  -0.707  1.00  0.00           C  
HETATM   60  C   UNL     1      14.639  -1.151   0.060  1.00  0.00           C  
HETATM   61  O   UNL     1       4.888  -2.314  -1.335  1.00  0.00           O  
HETATM   62  C   UNL     1      12.399   3.004  -1.372  1.00  0.00           C  
HETATM   63  N   UNL     1      11.318   3.628  -1.711  1.00  0.00           N  
HETATM   64  O   UNL     1      11.370   5.001  -2.053  1.00  0.00           O  
HETATM   65  N   UNL     1      15.585  -1.706   0.358  1.00  0.00           N  
HETATM   66  O   UNL     1       9.985   1.541  -1.392  1.00  0.00           O  
HETATM   67  H   UNL     1       6.982  -1.112   1.994  1.00  0.00           H  
HETATM   68  H   UNL     1       5.778   0.180   1.731  1.00  0.00           H  
HETATM   69  H   UNL     1       6.327  -0.410  -3.179  1.00  0.00           H  
HETATM   70  H   UNL     1       8.465   0.798  -3.390  1.00  0.00           H  
HETATM   71  H   UNL     1      14.452   1.422  -0.628  1.00  0.00           H  
HETATM   72  H   UNL     1      12.176  -2.174  -0.087  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.612  -3.339  -1.647  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.441  -2.317   0.730  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.606  -2.249   2.300  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.555   0.264   2.102  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.484   2.045   1.010  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.860  -0.328  -1.943  1.00  0.00           H  
HETATM   79  H   UNL     1     -12.796   2.336  -4.706  1.00  0.00           H  
HETATM   80  H   UNL     1     -13.668   3.760  -4.525  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.849   5.213  -0.281  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.221  -0.488   0.930  1.00  0.00           H  
HETATM   83  H   UNL     1     -12.097   0.605   2.864  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.865  -1.456   2.585  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.267   0.333   4.150  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.134  -3.503  -2.807  1.00  0.00           H  
HETATM   87  H   UNL     1       0.068  -3.081  -0.101  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.140  -3.067  -1.868  1.00  0.00           H  
HETATM   89  H   UNL     1       0.202  -0.569  -1.832  1.00  0.00           H  
HETATM   90  H   UNL     1       2.180  -2.662  -1.354  1.00  0.00           H  
HETATM   91  H   UNL     1       1.992  -1.295  -3.331  1.00  0.00           H  
HETATM   92  H   UNL     1       3.027  -1.728   0.629  1.00  0.00           H  
HETATM   93  H   UNL     1       1.919   1.010  -0.210  1.00  0.00           H  
HETATM   94  H   UNL     1       3.012   2.199   1.353  1.00  0.00           H  
HETATM   95  H   UNL     1       1.202  -1.384   2.401  1.00  0.00           H  
HETATM   96  H   UNL     1       1.588  -0.967   4.795  1.00  0.00           H  
HETATM   97  H   UNL     1       2.738   1.118   5.499  1.00  0.00           H  
HETATM   98  H   UNL     1       4.334   4.187   5.365  1.00  0.00           H  
HETATM   99  H   UNL     1       3.609   2.740   5.817  1.00  0.00           H  
HETATM  100  H   UNL     1       8.875   0.805   0.867  1.00  0.00           H  
HETATM  101  H   UNL     1      10.129  -0.985  -0.730  1.00  0.00           H  
HETATM  102  H   UNL     1       4.104  -2.818  -1.076  1.00  0.00           H  
HETATM  103  H   UNL     1      13.342   3.530  -1.350  1.00  0.00           H  
HETATM  104  H   UNL     1      10.514   5.380  -2.292  1.00  0.00           H  
CONECT    1   57    2   67   68                                       
CONECT    2    1   58   58    3                                       
CONECT    3    2   56    4    4                                       
CONECT    4    3    3    5   69                                       
CONECT    5    6    6    4   70                                       
CONECT    6   58   66    5    5                                       
CONECT    7   66    8    8   59                                       
CONECT    8   62    7    7    9                                       
CONECT    9    8   10   10   71                                       
CONECT   10    9    9   11   60                                       
CONECT   11   59   59   10   72                                       
CONECT   12   13   73                                                 
CONECT   13   14   14   12   15                                       
CONECT   13   34                                                      
CONECT   14   13   13                                                 
CONECT   15   13   16                                                 
CONECT   16   15   17   74   75                                       
CONECT   17   32   16   18   76                                       
CONECT   18   17   19                                                 
CONECT   19   30   20   18   77                                       
CONECT   20   19   29   21                                            
CONECT   21   20   22   22   78                                       
CONECT   22   21   21   23                                            
CONECT   23   29   22   24   24                                       
CONECT   24   26   23   23   25                                       
CONECT   25   24   79   80                                            
CONECT   26   27   27   24                                            
CONECT   27   28   26   26   81                                       
CONECT   28   29   29   27                                            
CONECT   29   28   28   20   23                                       
CONECT   30   31   32   19   82                                       
CONECT   31   30   83                                                 
CONECT   32   33   30   17   84                                       
CONECT   33   32   85                                                 
CONECT   34   13   35                                                 
CONECT   35   34   37   37   36                                       
CONECT   35   38                                                      
CONECT   36   35   86                                                 
CONECT   37   35   35                                                 
CONECT   38   35   39                                                 
CONECT   39   38   40   87   88                                       
CONECT   40   39   41   42   89                                       
CONECT   41   40   46                                                 
CONECT   42   40   44   43   90                                       
CONECT   43   42   91                                                 
CONECT   44   42   46   45   92                                       
CONECT   45   44   56                                                 
CONECT   46   41   44   47   93                                       
CONECT   47   48   46   49   49                                       
CONECT   48   52   52   47   94                                       
CONECT   49   47   47   50   95                                       
CONECT   50   51   51   49   96                                       
CONECT   51   52   50   50   97                                       
CONECT   52   53   48   48   51                                       
CONECT   53   55   54   54   52                                       
CONECT   54   53   53                                                 
CONECT   55   53   98   99                                            
CONECT   56   57    3   45   61                                       
CONECT   57    1   56                                                 
CONECT   58    2    2    6  100                                       
CONECT   59    7   11   11  101                                       
CONECT   60   10   65   65   65                                       
CONECT   61   56  102                                                 
CONECT   62   63   63    8  103                                       
CONECT   63   64   62   62                                            
CONECT   64   63  104                                                 
CONECT   65   60   60   60                                            
CONECT   66    6    7                                                 
CONECT   67    1                                                      
CONECT   68    1                                                      
CONECT   69    4                                                      
CONECT   70    5                                                      
CONECT   71    9                                                      
CONECT   72   11                                                      
CONECT   73   12                                                      
CONECT   74   16                                                      
CONECT   75   16                                                      
CONECT   76   17                                                      
CONECT   77   19                                                      
CONECT   78   21                                                      
CONECT   79   25                                                      
CONECT   80   25                                                      
CONECT   81   27                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   36                                                      
CONECT   87   39                                                      
CONECT   88   39                                                      
CONECT   89   40                                                      
CONECT   90   42                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
CONECT   93   46                                                      
CONECT   94   48                                                      
CONECT   95   49                                                      
CONECT   96   50                                                      
CONECT   97   51                                                      
CONECT   98   55                                                      
CONECT   99   55                                                      
CONECT  100   58                                                      
CONECT  101   59                                                      
CONECT  102   61                                                      
CONECT  103   62                                                      
CONECT  104   64                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
