COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       8.569   3.511  -0.582  1.00  0.00           N  
HETATM    2  C   UNL     1       9.442   4.347  -1.417  1.00  0.00           C  
HETATM    3  O   UNL     1       4.048  -3.910   1.006  1.00  0.00           O  
HETATM    4  C   UNL     1       9.109   2.150  -0.454  1.00  0.00           C  
HETATM    5  C   UNL     1       3.518  -2.816   0.968  1.00  0.00           C  
HETATM    6  C   UNL     1       2.091  -2.699   0.612  1.00  0.00           C  
HETATM    7  C   UNL     1       1.521  -3.594  -0.298  1.00  0.00           C  
HETATM    8  C   UNL     1       0.184  -3.485  -0.624  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.595  -2.481  -0.045  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.027  -1.592   0.859  1.00  0.00           C  
HETATM   11  C   UNL     1       1.306  -1.697   1.188  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.556  -1.126  -0.391  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.359   1.166  -0.238  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.726   1.292  -0.450  1.00  0.00           C  
HETATM   15  C   UNL     1       8.215   1.336   0.485  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.478   0.127  -0.609  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.614   0.740   0.288  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.568  -0.033   0.937  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.298   0.502   1.980  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.082   1.807   2.387  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.148   2.592   1.746  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.412   2.070   0.677  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.472   2.936  -0.055  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.523   3.580  -1.250  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.512  -0.324  -1.949  1.00  0.00           C  
HETATM   26  C   UNL     1       6.306   2.670  -0.175  1.00  0.00           C  
HETATM   27  C   UNL     1       0.483  -5.355  -2.063  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.855  -1.803  -1.756  1.00  0.00           C  
HETATM   29  C   UNL     1       7.200   3.484  -1.114  1.00  0.00           C  
HETATM   30  C   UNL     1       5.973   0.473   0.788  1.00  0.00           C  
HETATM   31  C   UNL     1       4.558   0.470   0.203  1.00  0.00           C  
HETATM   32  C   UNL     1       3.643  -0.374   1.095  1.00  0.00           C  
HETATM   33  C   UNL     1       5.623  -1.817   1.720  1.00  0.00           C  
HETATM   34  C   UNL     1       6.516  -0.957   0.821  1.00  0.00           C  
HETATM   35  N   UNL     1       6.846   1.309  -0.047  1.00  0.00           N  
HETATM   36  N   UNL     1       4.235  -1.710   1.251  1.00  0.00           N  
HETATM   37  N   UNL     1      -1.945  -2.371  -0.376  1.00  0.00           N  
HETATM   38  N   UNL     1      -1.817  -0.042  -0.214  1.00  0.00           N  
HETATM   39  N   UNL     1      -3.865  -1.051  -0.588  1.00  0.00           N  
HETATM   40  N   UNL     1      -5.859   0.187  -0.741  1.00  0.00           N  
HETATM   41  N   UNL     1      -4.299   2.559  -0.542  1.00  0.00           N  
HETATM   42  O   UNL     1      -5.802   4.094  -0.227  1.00  0.00           O  
HETATM   43  O   UNL     1      -0.373  -4.354  -1.509  1.00  0.00           O  
HETATM   44  H   UNL     1       9.056   5.366  -1.440  1.00  0.00           H  
HETATM   45  H   UNL     1      10.450   4.349  -1.001  1.00  0.00           H  
HETATM   46  H   UNL     1       9.469   3.945  -2.430  1.00  0.00           H  
HETATM   47  H   UNL     1       9.133   1.675  -1.435  1.00  0.00           H  
HETATM   48  H   UNL     1      10.119   2.196  -0.047  1.00  0.00           H  
HETATM   49  H   UNL     1       2.125  -4.369  -0.745  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.633  -0.817   1.305  1.00  0.00           H  
HETATM   51  H   UNL     1       1.744  -1.007   1.894  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.746   2.044  -0.094  1.00  0.00           H  
HETATM   53  H   UNL     1       8.597   0.318   0.558  1.00  0.00           H  
HETATM   54  H   UNL     1       8.212   1.796   1.473  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.740  -1.052   0.624  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.042  -0.102   2.480  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.649   2.214   3.212  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.984   3.609   2.069  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.783   3.565  -2.308  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.750   4.562  -0.834  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.459   3.374  -1.134  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.839  -0.215  -2.800  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.426   0.240  -2.134  1.00  0.00           H  
HETATM   64  H   UNL     1       6.282   3.145   0.806  1.00  0.00           H  
HETATM   65  H   UNL     1       5.297   2.625  -0.583  1.00  0.00           H  
HETATM   66  H   UNL     1       1.303  -4.876  -2.599  1.00  0.00           H  
HETATM   67  H   UNL     1       0.886  -5.973  -1.260  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.086  -5.980  -2.751  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.528  -1.912  -0.906  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.341  -2.183  -2.655  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.941  -2.366  -1.571  1.00  0.00           H  
HETATM   72  H   UNL     1       6.818   4.502  -1.188  1.00  0.00           H  
HETATM   73  H   UNL     1       7.203   3.024  -2.103  1.00  0.00           H  
HETATM   74  H   UNL     1       5.946   0.875   1.801  1.00  0.00           H  
HETATM   75  H   UNL     1       4.181   1.492   0.158  1.00  0.00           H  
HETATM   76  H   UNL     1       4.581   0.046  -0.801  1.00  0.00           H  
HETATM   77  H   UNL     1       3.548   0.099   2.073  1.00  0.00           H  
HETATM   78  H   UNL     1       2.660  -0.459   0.633  1.00  0.00           H  
HETATM   79  H   UNL     1       5.947  -2.857   1.670  1.00  0.00           H  
HETATM   80  H   UNL     1       5.689  -1.462   2.749  1.00  0.00           H  
HETATM   81  H   UNL     1       6.520  -1.368  -0.188  1.00  0.00           H  
HETATM   82  H   UNL     1       7.532  -0.951   1.216  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.457  -3.165  -0.595  1.00  0.00           H  
CONECT    1    4   29    2                                            
CONECT    2    1   44   45   46                                       
CONECT    3    5    5                                                 
CONECT    4   15    1   47   48                                       
CONECT    5    6    3    3   36                                       
CONECT    6    7    7   11    5                                       
CONECT    7    8    6    6   49                                       
CONECT    8   43    9    9    7                                       
CONECT    9   37    8    8   10                                       
CONECT   10    9   11   11   50                                       
CONECT   11   10   10    6   51                                       
CONECT   12   38   37   39   39                                       
CONECT   13   38   38   14   52                                       
CONECT   14   13   41   16   16                                       
CONECT   15   35    4   53   54                                       
CONECT   16   14   14   39   40                                       
CONECT   17   22   40   18   18                                       
CONECT   18   17   17   19   55                                       
CONECT   19   20   20   18   56                                       
CONECT   20   21   19   19   57                                       
CONECT   21   22   22   20   58                                       
CONECT   22   23   21   21   17                                       
CONECT   23   41   42   42   22                                       
CONECT   24   41   59   60   61                                       
CONECT   25   40   28   62   63                                       
CONECT   26   35   29   64   65                                       
CONECT   27   43   66   67   68                                       
CONECT   28   25   69   70   71                                       
CONECT   29   26    1   72   73                                       
CONECT   30   34   31   35   74                                       
CONECT   31   32   30   75   76                                       
CONECT   32   36   31   77   78                                       
CONECT   33   36   34   79   80                                       
CONECT   34   33   30   81   82                                       
CONECT   35   30   15   26                                            
CONECT   36    5   33   32                                            
CONECT   37   12    9   83                                            
CONECT   38   13   13   12                                            
CONECT   39   12   12   16                                            
CONECT   40   16   17   25                                            
CONECT   41   24   14   23                                            
CONECT   42   23   23                                                 
CONECT   43   27    8                                                 
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    7                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   37                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
