COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.051   0.435  -0.919  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.029   1.929  -1.183  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.447   0.739  -1.908  1.00  0.00           C  
HETATM    4  O   UNL     1       1.964   1.651  -2.427  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.496  -1.354  -0.962  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.372   1.352   1.036  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.919   1.598  -0.016  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.707   2.916  -2.130  1.00  0.00           C  
HETATM    9  O   UNL     1       0.739   0.276  -1.188  1.00  0.00           O  
HETATM   10  C   UNL     1       1.919   0.817  -1.543  1.00  0.00           C  
HETATM   11  C   UNL     1       4.335   1.028  -1.302  1.00  0.00           C  
HETATM   12  C   UNL     1       5.450   0.430  -0.442  1.00  0.00           C  
HETATM   13  C   UNL     1       6.791   1.049  -0.842  1.00  0.00           C  
HETATM   14  N   UNL     1       7.858   0.476  -0.019  1.00  0.00           N  
HETATM   15  C   UNL     1       9.158   0.883  -0.199  1.00  0.00           C  
HETATM   16  N   UNL     1       9.427   1.863  -1.013  1.00  0.00           N  
HETATM   17  N   UNL     1      10.180   0.253   0.484  1.00  0.00           N  
HETATM   18  C   UNL     1       9.917  -0.830   1.242  1.00  0.00           C  
HETATM   19  O   UNL     1       8.800  -1.311   1.247  1.00  0.00           O  
HETATM   20  N   UNL     1      10.890  -1.379   1.995  1.00  0.00           N  
HETATM   21  C   UNL     1      10.604  -2.556   2.819  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.238   1.600  -0.134  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.117   2.498   0.544  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.337   3.464   1.447  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.377   4.296   0.595  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.210   1.822   1.365  1.00  0.00           C  
HETATM   27  O   UNL     1      -6.485   2.019   0.746  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.269   2.557   2.727  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.950   0.357   1.657  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.569   0.138   1.931  1.00  0.00           O  
HETATM   31  O   UNL     1      -5.706  -2.898   1.391  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.799  -1.974   0.753  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.500  -0.628   0.637  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.533  -0.072  -0.772  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.324  -2.599  -0.550  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.328  -3.685  -0.975  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.964  -3.278  -0.319  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.931  -2.773  -1.331  1.00  0.00           C  
HETATM   39  O   UNL     1      -2.475  -2.835  -2.646  1.00  0.00           O  
HETATM   40  C   UNL     1      -0.698  -3.692  -1.264  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.363  -0.444  -2.171  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.718  -0.007  -2.715  1.00  0.00           C  
HETATM   43  O   UNL     1      -2.434  -0.819  -0.031  1.00  0.00           O  
HETATM   44  C   UNL     1      -1.946  -0.748   1.310  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.023  -1.115   2.244  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.882  -1.408   2.988  1.00  0.00           C  
HETATM   47  H   UNL     1       3.015  -0.230  -0.214  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.164   2.488  -0.744  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.079   1.090  -2.896  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.519  -1.424  -0.457  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.511   2.412  -2.666  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.119   3.746  -1.555  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.977   3.296  -2.844  1.00  0.00           H  
HETATM   54  H   UNL     1       4.534   0.817  -2.353  1.00  0.00           H  
HETATM   55  H   UNL     1       4.297   2.106  -1.149  1.00  0.00           H  
HETATM   56  H   UNL     1       5.251   0.640   0.609  1.00  0.00           H  
HETATM   57  H   UNL     1       5.488  -0.649  -0.596  1.00  0.00           H  
HETATM   58  H   UNL     1       6.989   0.838  -1.893  1.00  0.00           H  
HETATM   59  H   UNL     1       6.753   2.128  -0.688  1.00  0.00           H  
HETATM   60  H   UNL     1       7.647  -0.191   0.654  1.00  0.00           H  
HETATM   61  H   UNL     1      10.335   2.198  -1.086  1.00  0.00           H  
HETATM   62  H   UNL     1      11.087   0.590   0.419  1.00  0.00           H  
HETATM   63  H   UNL     1      11.781  -0.994   1.992  1.00  0.00           H  
HETATM   64  H   UNL     1      11.506  -2.854   3.352  1.00  0.00           H  
HETATM   65  H   UNL     1       9.820  -2.315   3.537  1.00  0.00           H  
HETATM   66  H   UNL     1      10.272  -3.374   2.180  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.627   3.124  -0.220  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.035   4.126   1.960  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.769   2.894   2.183  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.810   4.969   1.238  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.691   3.634   0.068  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.947   4.880  -0.128  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.739   2.947   0.656  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.585   3.588   2.570  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.981   2.054   3.381  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.281   2.547   3.188  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.475   0.130   2.620  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.979   0.789   1.526  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.312  -3.756   1.600  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.936  -1.884   1.430  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.566  -0.809   0.923  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.140  -0.719  -1.405  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.964   0.929  -0.757  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.518  -0.024  -1.168  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.202  -1.907  -1.367  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.311  -3.237  -1.117  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.997  -4.141  -1.908  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.386  -4.449  -0.199  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.622  -3.072   0.695  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.087  -4.356  -0.443  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.731  -3.725  -2.924  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.993  -4.713  -1.509  1.00  0.00           H  
HETATM   93  H   UNL     1       0.050  -3.349  -1.978  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.280  -3.666  -0.258  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.881  -1.048  -2.977  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.280   0.497  -1.929  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.570   0.678  -3.551  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.272  -0.881  -3.056  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.111  -1.438   1.429  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.612   0.267   1.522  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.651  -1.670   3.654  1.00  0.00           H  
CONECT    1   10   11   47                                            
CONECT    2    7    3    8   48                                       
CONECT    3   41    2    9   49                                       
CONECT    4   10   10                                                 
CONECT    5   38   41   43   50                                       
CONECT    6    7    7                                                 
CONECT    7    6    6   22    2                                       
CONECT    8    2   51   52   53                                       
CONECT    9    3   10                                                 
CONECT   10    4    4    9    1                                       
CONECT   11   12    1   54   55                                       
CONECT   12   11   13   56   57                                       
CONECT   13   12   14   58   59                                       
CONECT   14   13   15   60                                            
CONECT   15   14   17   16   16                                       
CONECT   16   15   15   61                                            
CONECT   17   18   15   62                                            
CONECT   18   19   19   20   17                                       
CONECT   19   18   18                                                 
CONECT   20   21   18   63                                            
CONECT   21   20   64   65   66                                       
CONECT   22   23    7                                                 
CONECT   23   26   22   24   67                                       
CONECT   24   23   25   68   69                                       
CONECT   25   24   70   71   72                                       
CONECT   26   29   27   23   28                                       
CONECT   27   26   73                                                 
CONECT   28   26   74   75   76                                       
CONECT   29   30   33   26   77                                       
CONECT   30   29   78                                                 
CONECT   31   32   79                                                 
CONECT   32   31   35   33   80                                       
CONECT   33   32   34   29   81                                       
CONECT   34   33   82   83   84                                       
CONECT   35   32   36   37   85                                       
CONECT   36   35   86   87   88                                       
CONECT   37   35   38   89   90                                       
CONECT   38   40   39   37    5                                       
CONECT   39   38   91                                                 
CONECT   40   38   92   93   94                                       
CONECT   41    5    3   42   95                                       
CONECT   42   41   96   97   98                                       
CONECT   43    5   44                                                 
CONECT   44   43   45   99  100                                       
CONECT   45   44   46   46   46                                       
CONECT   46   45   45   45  101                                       
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    5                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   37                                                      
CONECT   91   39                                                      
CONECT   92   40                                                      
CONECT   93   40                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   42                                                      
CONECT   97   42                                                      
CONECT   98   42                                                      
CONECT   99   44                                                      
CONECT  100   44                                                      
CONECT  101   46                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
